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 3ofn_1_T DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALILEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQXXSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVATF 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.591 177.584 0.011 0.000 1.274 25 A CA 0.000 52.046 52.037 0.015 0.000 0.836 25 A CB 0.000 19.015 19.000 0.026 0.000 0.831 26 N N 1.870 120.570 118.700 -0.000 0.000 2.501 26 N HA 0.465 5.205 4.740 -0.000 0.000 0.245 26 N C 0.477 175.970 175.510 -0.028 0.000 0.974 26 N CA -0.622 52.420 53.050 -0.012 0.000 0.941 26 N CB 0.619 39.096 38.487 -0.016 0.000 1.122 26 N HN 0.565 nan 8.380 nan 0.000 0.507 27 L N 2.170 123.371 121.223 -0.037 0.000 2.478 27 L HA 0.014 4.354 4.340 -0.000 0.000 0.223 27 L C 1.537 178.341 176.870 -0.111 0.000 1.140 27 L CA 0.295 55.084 54.840 -0.086 0.000 0.842 27 L CB -0.135 41.859 42.059 -0.109 0.000 0.953 27 L HN 0.515 nan 8.230 nan 0.000 0.452 28 N N 0.173 118.828 118.700 -0.075 0.000 2.109 28 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 28 N C 1.483 176.953 175.510 -0.067 0.000 1.034 28 N CA 1.216 54.224 53.050 -0.070 0.000 0.846 28 N CB 0.031 38.489 38.487 -0.048 0.000 1.010 28 N HN 0.278 nan 8.380 nan 0.000 0.425 29 E N -0.085 120.083 120.200 -0.054 0.000 2.479 29 E HA 0.153 4.503 4.350 -0.000 0.000 0.193 29 E C 0.045 176.610 176.600 -0.058 0.000 1.049 29 E CA 0.230 56.600 56.400 -0.050 0.000 0.870 29 E CB 0.595 30.273 29.700 -0.036 0.000 0.944 29 E HN 0.163 nan 8.360 nan 0.000 0.492 30 T N -0.560 113.955 114.554 -0.065 0.000 2.883 30 T HA 0.679 5.029 4.350 -0.000 0.000 0.296 30 T C -0.181 174.472 174.700 -0.078 0.000 1.117 30 T CA -0.524 61.536 62.100 -0.066 0.000 1.006 30 T CB 2.337 71.181 68.868 -0.040 0.000 1.191 30 T HN 0.123 nan 8.240 nan 0.000 0.508 31 G N 0.669 109.427 108.800 -0.070 0.000 2.798 31 G HA2 0.742 4.702 3.960 -0.000 0.000 0.286 31 G HA3 0.742 4.702 3.960 -0.000 0.000 0.286 31 G C -1.646 173.270 174.900 0.027 0.000 1.389 31 G CA -0.651 44.425 45.100 -0.041 0.000 0.894 31 G HN 0.476 nan 8.290 nan 0.000 0.488 32 R N -0.361 120.207 120.500 0.113 0.000 2.621 32 R HA 0.445 4.785 4.340 -0.000 0.000 0.292 32 R C -0.881 175.499 176.300 0.133 0.000 0.969 32 R CA -0.699 55.478 56.100 0.129 0.000 0.887 32 R CB 2.087 32.490 30.300 0.172 0.000 1.180 32 R HN 0.327 nan 8.270 nan 0.000 0.450 33 V N 5.744 125.726 119.914 0.114 0.000 2.421 33 V HA 0.022 4.142 4.120 -0.000 0.000 0.271 33 V C 1.883 178.032 176.094 0.091 0.000 1.031 33 V CA 0.248 62.623 62.300 0.126 0.000 1.032 33 V CB 0.405 32.322 31.823 0.158 0.000 1.009 33 V HN 0.687 nan 8.190 nan 0.000 0.477 34 L N 4.247 125.524 121.223 0.090 0.000 2.007 34 L HA 0.198 4.538 4.340 -0.000 0.000 0.205 34 L C 1.133 178.025 176.870 0.036 0.000 1.073 34 L CA 1.741 56.612 54.840 0.053 0.000 0.744 34 L CB -0.109 41.987 42.059 0.061 0.000 0.898 34 L HN 0.764 nan 8.230 nan 0.000 0.435 35 A N -1.197 121.649 122.820 0.044 0.000 2.556 35 A HA 0.662 4.982 4.320 -0.000 0.000 0.294 35 A C -1.587 176.017 177.584 0.033 0.000 1.091 35 A CA -0.386 51.668 52.037 0.028 0.000 0.704 35 A CB 2.122 21.131 19.000 0.015 0.000 1.300 35 A HN -0.142 nan 8.150 nan 0.000 0.406 36 V N 0.445 120.368 119.914 0.015 0.000 2.668 36 V HA 0.902 5.022 4.120 -0.000 0.000 0.304 36 V C -0.267 175.815 176.094 -0.020 0.000 1.071 36 V CA 0.868 63.167 62.300 -0.001 0.000 0.894 36 V CB 1.418 33.237 31.823 -0.008 0.000 1.008 36 V HN 2.349 nan 8.190 nan 0.000 0.425 37 G N 3.517 112.299 108.800 -0.030 0.000 2.387 37 G HA2 0.498 4.458 3.960 -0.000 0.000 0.294 37 G HA3 0.498 4.458 3.960 -0.000 0.000 0.294 37 G C -0.668 174.208 174.900 -0.041 0.000 1.509 37 G CA 0.171 45.251 45.100 -0.034 0.000 0.806 37 G HN 0.948 nan 8.290 nan 0.000 0.546 38 D N -1.136 119.239 120.400 -0.042 0.000 2.955 38 D HA -0.136 4.504 4.640 -0.000 0.000 0.226 38 D C 1.737 178.002 176.300 -0.059 0.000 1.178 38 D CA 3.296 57.268 54.000 -0.047 0.000 0.808 38 D CB -1.105 39.667 40.800 -0.046 0.000 1.099 38 D HN 2.226 nan 8.370 nan 0.000 0.421 39 G N -1.681 107.080 108.800 -0.066 0.000 2.179 39 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 39 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 39 G C 0.241 175.084 174.900 -0.095 0.000 0.977 39 G CA 0.357 45.407 45.100 -0.083 0.000 0.641 39 G HN 0.481 nan 8.290 nan 0.000 0.533 40 I N 0.574 121.101 120.570 -0.072 0.000 2.525 40 I HA 0.782 4.952 4.170 -0.000 0.000 0.301 40 I C 0.430 176.531 176.117 -0.027 0.000 0.992 40 I CA -1.095 60.174 61.300 -0.053 0.000 1.162 40 I CB 1.445 39.421 38.000 -0.040 0.000 1.332 40 I HN 0.448 nan 8.210 nan 0.000 0.458 41 A N 5.944 128.775 122.820 0.019 0.000 2.335 41 A HA 0.662 4.982 4.320 -0.000 0.000 0.304 41 A C -0.268 177.372 177.584 0.093 0.000 1.118 41 A CA -0.726 51.359 52.037 0.080 0.000 0.757 41 A CB 0.948 20.063 19.000 0.192 0.000 1.188 41 A HN 0.712 nan 8.150 nan 0.000 0.460 42 R N 1.575 122.120 120.500 0.075 0.000 2.202 42 R HA 0.522 4.862 4.340 -0.000 0.000 0.334 42 R C -1.155 175.202 176.300 0.095 0.000 1.036 42 R CA -0.112 56.030 56.100 0.070 0.000 0.878 42 R CB 1.260 31.591 30.300 0.051 0.000 1.067 42 R HN 0.472 nan 8.270 nan 0.000 0.457 43 V N 5.287 125.255 119.914 0.089 0.000 2.487 43 V HA 0.263 4.383 4.120 -0.000 0.000 0.298 43 V C -0.599 175.562 176.094 0.112 0.000 1.028 43 V CA -0.873 61.485 62.300 0.097 0.000 0.860 43 V CB 1.486 33.334 31.823 0.043 0.000 0.991 43 V HN 0.563 nan 8.190 nan 0.000 0.427 44 F N 5.078 125.028 119.950 -0.001 0.000 2.445 44 F HA 0.715 5.242 4.527 0.000 0.000 0.359 44 F C 0.756 176.548 175.800 -0.014 0.000 1.101 44 F CA 1.327 59.324 58.000 -0.005 0.000 1.177 44 F CB 0.484 39.483 39.000 -0.002 0.000 1.110 44 F HN 0.876 nan 8.300 nan 0.000 0.522 45 G N 4.241 112.667 108.800 -0.623 0.000 2.408 45 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.204 45 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.204 45 G C -0.227 174.515 174.900 -0.264 0.000 1.186 45 G CA -0.562 44.221 45.100 -0.528 0.000 1.139 45 G HN 1.318 nan 8.290 nan 0.000 0.563 46 L N -0.085 121.028 121.223 -0.183 0.000 3.823 46 L HA -0.202 4.138 4.340 -0.000 0.000 0.525 46 L C 1.401 178.200 176.870 -0.118 0.000 1.247 46 L CA 0.481 55.245 54.840 -0.126 0.000 0.776 46 L CB -1.461 40.535 42.059 -0.106 0.000 1.443 46 L HN 0.621 nan 8.230 nan 0.000 0.831 47 N N 0.371 118.996 118.700 -0.125 0.000 2.244 47 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 47 N C 1.161 176.629 175.510 -0.070 0.000 1.016 47 N CA 1.411 54.397 53.050 -0.106 0.000 0.866 47 N CB -0.030 38.392 38.487 -0.108 0.000 0.980 47 N HN 0.590 nan 8.380 nan 0.000 0.430 48 N N 0.624 119.288 118.700 -0.060 0.000 2.270 48 N HA 0.168 4.908 4.740 -0.000 0.000 0.198 48 N C 0.263 175.751 175.510 -0.037 0.000 1.117 48 N CA -0.126 52.898 53.050 -0.043 0.000 0.845 48 N CB 0.559 39.024 38.487 -0.037 0.000 0.980 48 N HN 0.285 nan 8.380 nan 0.000 0.486 49 I N 1.027 121.571 120.570 -0.044 0.000 2.754 49 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 49 I C 0.105 176.208 176.117 -0.023 0.000 1.166 49 I CA -0.002 61.277 61.300 -0.035 0.000 1.417 49 I CB 0.593 38.567 38.000 -0.043 0.000 1.382 49 I HN 0.103 nan 8.210 nan 0.000 0.588 50 Q N 5.124 124.917 119.800 -0.012 0.000 2.214 50 Q HA 0.579 4.919 4.340 -0.000 0.000 0.251 50 Q C -0.265 175.737 176.000 0.003 0.000 0.936 50 Q CA -0.958 54.842 55.803 -0.004 0.000 0.894 50 Q CB 1.499 30.238 28.738 0.001 0.000 1.252 50 Q HN 0.765 nan 8.270 nan 0.000 0.448 51 A N 1.553 124.377 122.820 0.006 0.000 2.511 51 A HA 0.048 4.368 4.320 -0.000 0.000 0.242 51 A C 0.026 177.625 177.584 0.024 0.000 1.069 51 A CA 0.218 52.264 52.037 0.014 0.000 0.763 51 A CB -0.248 18.760 19.000 0.014 0.000 1.001 51 A HN 0.951 nan 8.150 nan 0.000 0.498 52 E N -0.669 119.553 120.200 0.036 0.000 2.637 52 E HA -0.200 4.150 4.350 -0.000 0.000 0.265 52 E C -0.025 176.611 176.600 0.061 0.000 1.073 52 E CA 1.284 57.718 56.400 0.057 0.000 0.778 52 E CB -1.197 28.532 29.700 0.049 0.000 1.362 52 E HN 0.827 nan 8.360 nan 0.000 0.413 53 E N 0.713 120.942 120.200 0.049 0.000 2.200 53 E HA 0.257 4.607 4.350 -0.000 0.000 0.283 53 E C -0.373 176.270 176.600 0.072 0.000 1.015 53 E CA -0.735 55.693 56.400 0.046 0.000 0.819 53 E CB 0.688 30.399 29.700 0.018 0.000 1.081 53 E HN 0.057 nan 8.360 nan 0.000 0.397 54 L N 5.186 126.464 121.223 0.091 0.000 2.490 54 L HA 0.085 4.425 4.340 -0.000 0.000 0.274 54 L C -0.685 176.233 176.870 0.079 0.000 1.201 54 L CA 0.342 55.261 54.840 0.130 0.000 0.869 54 L CB 1.007 43.132 42.059 0.111 0.000 1.123 54 L HN 0.362 nan 8.230 nan 0.000 0.484 55 V N 1.414 121.384 119.914 0.094 0.000 2.760 55 V HA 0.616 4.736 4.120 -0.000 0.000 0.309 55 V C -0.602 175.488 176.094 -0.007 0.000 1.077 55 V CA -0.892 61.395 62.300 -0.021 0.000 0.910 55 V CB 1.702 33.435 31.823 -0.150 0.000 1.008 55 V HN 0.794 nan 8.190 nan 0.000 0.424 56 E N 2.606 122.765 120.200 -0.068 0.000 2.191 56 E HA 0.613 4.963 4.350 -0.000 0.000 0.278 56 E C -1.496 175.036 176.600 -0.113 0.000 0.972 56 E CA -0.666 55.747 56.400 0.021 0.000 0.804 56 E CB 1.523 31.251 29.700 0.048 0.000 1.110 56 E HN 0.678 nan 8.360 nan 0.000 0.394 57 F N 0.918 120.893 119.950 0.041 0.000 2.411 57 F HA 0.169 4.696 4.527 -0.000 0.000 0.324 57 F C 1.770 177.588 175.800 0.030 0.000 1.086 57 F CA -0.568 57.453 58.000 0.034 0.000 1.028 57 F CB 1.374 40.394 39.000 0.033 0.000 1.284 57 F HN 0.446 nan 8.300 nan 0.000 0.501 58 S N -0.358 115.472 115.700 0.217 0.000 2.465 58 S HA -0.154 4.316 4.470 -0.000 0.000 0.241 58 S C 1.626 176.292 174.600 0.110 0.000 1.000 58 S CA 1.428 59.702 58.200 0.123 0.000 0.964 58 S CB -0.353 62.907 63.200 0.100 0.000 0.763 58 S HN 0.579 nan 8.310 nan 0.000 0.512 59 S N -0.174 115.608 115.700 0.135 0.000 2.548 59 S HA 0.365 4.835 4.470 -0.000 0.000 0.215 59 S C 1.606 176.260 174.600 0.090 0.000 0.976 59 S CA 0.420 58.674 58.200 0.090 0.000 0.908 59 S CB 0.327 63.567 63.200 0.066 0.000 0.781 59 S HN 0.693 nan 8.310 nan 0.000 0.519 60 G N 1.352 110.225 108.800 0.123 0.000 2.157 60 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 60 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 60 G C 0.165 175.144 174.900 0.132 0.000 0.979 60 G CA 0.187 45.354 45.100 0.111 0.000 0.650 60 G HN 0.643 nan 8.290 nan 0.000 0.529 61 V N 0.587 120.594 119.914 0.154 0.000 2.488 61 V HA 0.644 4.764 4.120 -0.000 0.000 0.277 61 V C 0.647 176.918 176.094 0.296 0.000 1.046 61 V CA -0.255 62.131 62.300 0.142 0.000 0.986 61 V CB 0.866 32.698 31.823 0.014 0.000 0.989 61 V HN 0.318 nan 8.190 nan 0.000 0.475 62 K N 4.574 125.149 120.400 0.292 0.000 2.098 62 K HA 0.764 5.084 4.320 -0.000 0.000 0.257 62 K C 0.318 177.231 176.600 0.521 0.000 0.999 62 K CA 0.467 56.994 56.287 0.401 0.000 0.924 62 K CB 1.615 34.295 32.500 0.300 0.000 1.028 62 K HN 0.962 nan 8.250 nan 0.000 0.466 63 G N 0.295 109.423 108.800 0.546 0.000 3.086 63 G HA2 0.681 4.641 3.960 -0.000 0.000 0.282 63 G HA3 0.681 4.641 3.960 -0.000 0.000 0.282 63 G C -1.615 173.440 174.900 0.257 0.000 1.343 63 G CA -0.683 44.644 45.100 0.378 0.000 0.895 63 G HN 0.496 nan 8.290 nan 0.000 0.557 64 M N 0.693 120.330 119.600 0.062 0.000 2.221 64 M HA 0.561 5.041 4.480 -0.000 0.000 0.259 64 M C -0.595 175.727 176.300 0.037 0.000 1.001 64 M CA -0.715 54.639 55.300 0.091 0.000 1.009 64 M CB 1.614 34.279 32.600 0.108 0.000 1.939 64 M HN 0.791 nan 8.290 nan 0.000 0.477 65 A N 4.280 127.128 122.820 0.047 0.000 2.535 65 A HA 0.263 4.583 4.320 -0.000 0.000 0.290 65 A C 0.247 177.844 177.584 0.022 0.000 1.270 65 A CA -0.013 52.038 52.037 0.022 0.000 0.937 65 A CB -0.249 18.757 19.000 0.010 0.000 1.096 65 A HN 0.912 nan 8.150 nan 0.000 0.534 66 L N 3.376 124.605 121.223 0.010 0.000 2.262 66 L HA 0.403 4.743 4.340 -0.000 0.000 0.197 66 L C 0.725 177.598 176.870 0.006 0.000 1.073 66 L CA 1.140 55.986 54.840 0.009 0.000 0.800 66 L CB 0.070 42.122 42.059 -0.011 0.000 0.987 66 L HN 0.631 nan 8.230 nan 0.000 0.470 67 I N 1.106 121.676 120.570 -0.001 0.000 2.312 67 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 67 I C -0.994 175.123 176.117 0.001 0.000 1.008 67 I CA -0.181 61.120 61.300 0.000 0.000 1.226 67 I CB 1.053 39.050 38.000 -0.004 0.000 1.371 67 I HN -0.013 nan 8.210 nan 0.000 0.468 68 L N 7.701 128.924 121.223 0.000 0.000 2.277 68 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 68 L C -0.091 176.777 176.870 -0.003 0.000 1.028 68 L CA -0.273 54.564 54.840 -0.004 0.000 0.835 68 L CB 0.850 42.904 42.059 -0.007 0.000 1.215 68 L HN 0.608 nan 8.230 nan 0.000 0.425 69 E N 4.187 124.386 120.200 -0.002 0.000 2.264 69 E HA 0.472 4.822 4.350 -0.000 0.000 0.260 69 E C -2.358 174.241 176.600 -0.002 0.000 0.961 69 E CA -1.970 54.431 56.400 0.002 0.000 0.834 69 E CB 1.316 31.022 29.700 0.009 0.000 1.230 69 E HN 0.318 nan 8.360 nan 0.000 0.412 70 P HA 0.086 nan 4.420 nan 0.000 0.276 70 P C 0.408 177.719 177.300 0.018 0.000 1.253 70 P CA 0.423 63.524 63.100 0.002 0.000 0.766 70 P CB 0.959 32.664 31.700 0.007 0.000 0.845 71 G N 3.456 112.260 108.800 0.006 0.000 2.490 71 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 71 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 71 G C -0.176 174.760 174.900 0.060 0.000 1.151 71 G CA 0.176 45.309 45.100 0.055 0.000 0.684 71 G HN 0.785 nan 8.290 nan 0.000 0.518 72 Q N -0.084 119.746 119.800 0.050 0.000 2.375 72 Q HA 0.761 5.101 4.340 -0.000 0.000 0.271 72 Q C -1.115 174.894 176.000 0.016 0.000 1.074 72 Q CA -1.129 54.708 55.803 0.057 0.000 0.808 72 Q CB 3.182 31.972 28.738 0.087 0.000 1.327 72 Q HN 0.397 nan 8.270 nan 0.000 0.441 73 V N 1.661 121.581 119.914 0.010 0.000 2.370 73 V HA 0.586 4.706 4.120 -0.000 0.000 0.283 73 V C 0.396 176.501 176.094 0.019 0.000 1.023 73 V CA -0.460 61.841 62.300 0.001 0.000 0.857 73 V CB 1.430 33.240 31.823 -0.021 0.000 0.985 73 V HN 0.893 nan 8.190 nan 0.000 0.443 74 G N 5.682 114.491 108.800 0.014 0.000 2.338 74 G HA2 0.624 4.584 3.960 -0.000 0.000 0.295 74 G HA3 0.624 4.584 3.960 -0.000 0.000 0.295 74 G C -0.600 174.308 174.900 0.014 0.000 1.132 74 G CA -0.246 44.863 45.100 0.015 0.000 0.922 74 G HN 0.625 nan 8.290 nan 0.000 0.427 75 I N 2.164 122.754 120.570 0.035 0.000 2.474 75 I HA 0.269 4.439 4.170 -0.000 0.000 0.294 75 I C -0.272 175.849 176.117 0.007 0.000 1.005 75 I CA -1.080 60.248 61.300 0.046 0.000 1.113 75 I CB 2.416 40.497 38.000 0.135 0.000 1.289 75 I HN 0.065 nan 8.210 nan 0.000 0.436 76 V N 6.571 126.438 119.914 -0.078 0.000 2.439 76 V HA 0.360 4.480 4.120 -0.000 0.000 0.282 76 V C 0.189 176.092 176.094 -0.318 0.000 1.039 76 V CA -0.603 61.585 62.300 -0.186 0.000 0.913 76 V CB 1.580 33.269 31.823 -0.223 0.000 0.983 76 V HN 0.449 nan 8.190 nan 0.000 0.460 77 L N 4.559 125.616 121.223 -0.276 0.000 2.305 77 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 77 L C -0.197 176.509 176.870 -0.272 0.000 1.085 77 L CA -0.224 54.455 54.840 -0.269 0.000 0.813 77 L CB 0.636 42.558 42.059 -0.229 0.000 1.157 77 L HN 0.536 nan 8.230 nan 0.000 0.436 78 F N 1.930 121.897 119.950 0.028 0.000 2.974 78 F HA 0.473 5.000 4.527 0.000 0.000 0.292 78 F C 0.992 176.801 175.800 0.015 0.000 1.209 78 F CA -0.528 57.499 58.000 0.046 0.000 1.366 78 F CB 0.243 39.288 39.000 0.076 0.000 1.033 78 F HN 0.516 nan 8.300 nan 0.000 0.516 79 G N -1.146 107.718 108.800 0.106 0.000 2.430 79 G HA2 0.305 4.265 3.960 -0.000 0.000 0.300 79 G HA3 0.305 4.265 3.960 -0.000 0.000 0.300 79 G C -1.196 173.700 174.900 -0.007 0.000 1.330 79 G CA -0.851 44.280 45.100 0.053 0.000 0.813 79 G HN -0.023 nan 8.290 nan 0.000 0.487 80 S N -0.677 115.016 115.700 -0.012 0.000 2.552 80 S HA 0.148 4.618 4.470 -0.000 0.000 0.289 80 S C 1.042 175.602 174.600 -0.067 0.000 1.304 80 S CA 0.604 58.787 58.200 -0.029 0.000 1.063 80 S CB 0.599 63.789 63.200 -0.016 0.000 0.848 80 S HN 0.419 nan 8.310 nan 0.000 0.499 81 D N 2.956 123.316 120.400 -0.067 0.000 2.182 81 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 81 D C 1.970 178.221 176.300 -0.081 0.000 0.986 81 D CA 1.137 55.084 54.000 -0.088 0.000 0.847 81 D CB -0.201 40.560 40.800 -0.064 0.000 0.942 81 D HN 0.708 nan 8.370 nan 0.000 0.467 82 R N 0.378 120.846 120.500 -0.054 0.000 2.139 82 R HA -0.111 4.229 4.340 -0.000 0.000 0.243 82 R C 1.796 178.069 176.300 -0.045 0.000 1.145 82 R CA 0.834 56.910 56.100 -0.040 0.000 0.976 82 R CB -0.328 29.958 30.300 -0.024 0.000 0.866 82 R HN 0.236 nan 8.270 nan 0.000 0.449 83 L N 0.819 122.004 121.223 -0.063 0.000 2.622 83 L HA 0.058 4.398 4.340 -0.000 0.000 0.233 83 L C -0.291 176.518 176.870 -0.101 0.000 1.156 83 L CA 0.006 54.807 54.840 -0.065 0.000 0.866 83 L CB 0.597 42.617 42.059 -0.064 0.000 0.980 83 L HN -0.045 nan 8.230 nan 0.000 0.448 84 V N -0.157 119.678 119.914 -0.132 0.000 2.531 84 V HA 0.327 4.447 4.120 -0.000 0.000 0.301 84 V C -0.115 175.954 176.094 -0.042 0.000 1.034 84 V CA -0.919 61.301 62.300 -0.134 0.000 0.865 84 V CB 1.959 33.578 31.823 -0.340 0.000 0.995 84 V HN 0.050 nan 8.190 nan 0.000 0.424 85 K N 2.215 122.626 120.400 0.017 0.000 2.238 85 K HA 0.507 4.827 4.320 -0.000 0.000 0.239 85 K C -0.310 176.320 176.600 0.051 0.000 0.987 85 K CA -0.820 55.483 56.287 0.027 0.000 0.857 85 K CB 2.534 35.051 32.500 0.028 0.000 1.154 85 K HN 0.794 nan 8.250 nan 0.000 0.439 86 E N 0.104 120.326 120.200 0.037 0.000 2.338 86 E HA 0.116 4.466 4.350 -0.000 0.000 0.272 86 E C 0.277 176.903 176.600 0.043 0.000 1.029 86 E CA 0.456 56.882 56.400 0.042 0.000 0.872 86 E CB 0.380 30.094 29.700 0.024 0.000 1.015 86 E HN 0.768 nan 8.360 nan 0.000 0.417 87 G N 3.548 112.380 108.800 0.052 0.000 2.132 87 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.234 87 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.234 87 G C -0.095 174.840 174.900 0.059 0.000 0.989 87 G CA 0.242 45.369 45.100 0.046 0.000 0.676 87 G HN 0.604 nan 8.290 nan 0.000 0.522 88 E N -0.582 119.668 120.200 0.083 0.000 2.313 88 E HA 0.624 4.974 4.350 -0.000 0.000 0.272 88 E C 1.075 177.724 176.600 0.081 0.000 1.038 88 E CA 0.014 56.471 56.400 0.095 0.000 0.863 88 E CB 1.162 30.948 29.700 0.144 0.000 1.060 88 E HN 0.866 nan 8.360 nan 0.000 0.402 89 L N 2.259 123.516 121.223 0.057 0.000 2.416 89 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 89 L C 0.125 176.977 176.870 -0.030 0.000 1.161 89 L CA -0.439 54.413 54.840 0.019 0.000 0.845 89 L CB 0.300 42.368 42.059 0.016 0.000 1.119 89 L HN 0.309 nan 8.230 nan 0.000 0.464 90 V N 2.320 122.169 119.914 -0.109 0.000 2.540 90 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 90 V C 0.037 176.009 176.094 -0.203 0.000 1.035 90 V CA -1.224 60.906 62.300 -0.284 0.000 0.873 90 V CB 1.398 32.953 31.823 -0.447 0.000 0.992 90 V HN 0.929 nan 8.190 nan 0.000 0.428 91 K N 3.076 123.355 120.400 -0.202 0.000 2.182 91 K HA 0.577 4.897 4.320 -0.000 0.000 0.262 91 K C -0.006 176.529 176.600 -0.109 0.000 0.957 91 K CA -0.653 55.565 56.287 -0.116 0.000 0.842 91 K CB 1.609 34.070 32.500 -0.065 0.000 1.099 91 K HN 0.599 nan 8.250 nan 0.000 0.438 92 R N 0.467 120.921 120.500 -0.077 0.000 2.707 92 R HA 0.123 4.463 4.340 -0.000 0.000 0.270 92 R C 0.253 176.535 176.300 -0.030 0.000 1.083 92 R CA 0.213 56.281 56.100 -0.053 0.000 1.182 92 R CB 0.556 30.829 30.300 -0.045 0.000 1.084 92 R HN 0.666 nan 8.270 nan 0.000 0.528 93 T N -1.133 113.413 114.554 -0.015 0.000 2.986 93 T HA 0.161 4.511 4.350 -0.000 0.000 0.264 93 T C 1.103 175.801 174.700 -0.002 0.000 0.964 93 T CA 0.217 62.316 62.100 -0.003 0.000 0.895 93 T CB 1.009 69.884 68.868 0.011 0.000 1.163 93 T HN 0.881 nan 8.240 nan 0.000 0.517 94 G N 2.609 111.406 108.800 -0.005 0.000 2.189 94 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 94 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 94 G C -0.127 174.774 174.900 0.003 0.000 0.975 94 G CA -0.055 45.043 45.100 -0.004 0.000 0.644 94 G HN 0.492 nan 8.290 nan 0.000 0.537 95 N N 0.714 119.419 118.700 0.009 0.000 2.392 95 N HA 0.493 5.233 4.740 -0.000 0.000 0.283 95 N C 0.537 176.062 175.510 0.025 0.000 1.003 95 N CA -0.663 52.395 53.050 0.015 0.000 0.892 95 N CB 1.097 39.593 38.487 0.015 0.000 1.193 95 N HN 0.108 nan 8.380 nan 0.000 0.487 96 I N 1.623 122.207 120.570 0.023 0.000 2.710 96 I HA -0.019 4.151 4.170 -0.000 0.000 0.286 96 I C 0.743 176.881 176.117 0.035 0.000 1.181 96 I CA -0.305 61.012 61.300 0.029 0.000 1.430 96 I CB -0.060 37.952 38.000 0.020 0.000 1.367 96 I HN 0.164 nan 8.210 nan 0.000 0.577 97 V N 6.555 126.501 119.914 0.054 0.000 2.621 97 V HA -0.104 4.016 4.120 -0.000 0.000 0.300 97 V C 0.337 176.442 176.094 0.018 0.000 1.031 97 V CA 0.400 62.733 62.300 0.054 0.000 1.210 97 V CB -0.945 30.934 31.823 0.093 0.000 0.864 97 V HN 0.922 nan 8.190 nan 0.000 0.477 98 D N 4.116 124.518 120.400 0.003 0.000 2.579 98 D HA 0.734 5.374 4.640 -0.000 0.000 0.257 98 D C -0.740 175.549 176.300 -0.018 0.000 1.176 98 D CA -0.653 53.345 54.000 -0.003 0.000 0.914 98 D CB 2.342 43.144 40.800 0.003 0.000 1.431 98 D HN 0.495 nan 8.370 nan 0.000 0.454 99 V N -4.383 115.523 119.914 -0.012 0.000 2.971 99 V HA 0.649 4.769 4.120 -0.000 0.000 0.309 99 V C -2.967 173.114 176.094 -0.021 0.000 1.130 99 V CA -2.319 59.969 62.300 -0.020 0.000 0.964 99 V CB 1.655 33.470 31.823 -0.013 0.000 1.029 99 V HN 0.412 nan 8.190 nan 0.000 0.427 100 P HA 0.290 nan 4.420 nan 0.000 0.265 100 P C -0.374 176.889 177.300 -0.062 0.000 1.193 100 P CA 0.291 63.359 63.100 -0.053 0.000 0.765 100 P CB 0.733 32.399 31.700 -0.056 0.000 0.823 101 V N 0.246 120.097 119.914 -0.105 0.000 3.102 101 V HA 1.032 5.152 4.120 -0.000 0.000 0.312 101 V C 0.038 175.898 176.094 -0.390 0.000 1.135 101 V CA -0.378 61.832 62.300 -0.151 0.000 1.022 101 V CB 1.527 33.319 31.823 -0.051 0.000 1.056 101 V HN 0.927 nan 8.190 nan 0.000 0.436 102 G N 1.718 110.122 108.800 -0.660 0.000 2.392 102 G HA2 0.167 4.127 3.960 -0.000 0.000 0.677 102 G HA3 0.167 4.127 3.960 -0.000 0.000 0.677 102 G C -2.635 171.654 174.900 -1.019 0.000 1.334 102 G CA -0.054 44.243 45.100 -1.337 0.000 0.961 102 G HN 0.753 nan 8.290 nan 0.000 0.616 103 P HA 0.091 nan 4.420 nan 0.000 0.245 103 P C 1.611 178.750 177.300 -0.268 0.000 1.212 103 P CA 1.375 64.117 63.100 -0.597 0.000 0.774 103 P CB 0.075 31.441 31.700 -0.558 0.000 0.999 104 G N 0.126 108.748 108.800 -0.297 0.000 2.534 104 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 104 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 104 G C 1.257 176.098 174.900 -0.099 0.000 1.128 104 G CA 0.163 45.165 45.100 -0.162 0.000 0.784 104 G HN 0.176 nan 8.290 nan 0.000 0.542 105 L N -0.032 121.132 121.223 -0.098 0.000 2.313 105 L HA 0.260 4.600 4.340 -0.000 0.000 0.214 105 L C 1.002 177.883 176.870 0.018 0.000 1.119 105 L CA -0.070 54.750 54.840 -0.032 0.000 0.809 105 L CB -0.499 41.549 42.059 -0.018 0.000 0.933 105 L HN 0.068 nan 8.230 nan 0.000 0.449 106 L N 1.066 122.318 121.223 0.048 0.000 2.667 106 L HA 0.148 4.488 4.340 -0.000 0.000 0.278 106 L C 1.350 178.251 176.870 0.052 0.000 1.217 106 L CA 1.373 56.266 54.840 0.088 0.000 0.935 106 L CB -0.360 41.775 42.059 0.127 0.000 1.193 106 L HN 0.457 nan 8.230 nan 0.000 0.493 107 G N 2.951 111.775 108.800 0.040 0.000 2.194 107 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 107 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 107 G C 0.512 175.414 174.900 0.002 0.000 0.987 107 G CA -0.071 45.035 45.100 0.011 0.000 0.635 107 G HN 0.533 nan 8.290 nan 0.000 0.520 108 R N -0.186 120.319 120.500 0.009 0.000 2.720 108 R HA 0.711 5.051 4.340 -0.000 0.000 0.272 108 R C -0.394 175.913 176.300 0.011 0.000 0.991 108 R CA -0.682 55.421 56.100 0.005 0.000 1.010 108 R CB 1.754 32.054 30.300 -0.000 0.000 1.141 108 R HN 0.196 nan 8.270 nan 0.000 0.494 109 V N 2.433 122.353 119.914 0.010 0.000 2.384 109 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 109 V C 0.217 176.320 176.094 0.015 0.000 1.020 109 V CA -0.750 61.561 62.300 0.019 0.000 0.850 109 V CB 1.478 33.313 31.823 0.019 0.000 0.987 109 V HN 0.598 nan 8.190 nan 0.000 0.436 110 V N 1.406 121.331 119.914 0.018 0.000 2.919 110 V HA 0.804 4.924 4.120 -0.000 0.000 0.316 110 V C -0.360 175.739 176.094 0.009 0.000 1.077 110 V CA -0.849 61.456 62.300 0.008 0.000 0.977 110 V CB 2.075 33.900 31.823 0.002 0.000 1.039 110 V HN 0.816 nan 8.190 nan 0.000 0.441 111 D N 2.076 122.475 120.400 -0.001 0.000 2.423 111 D HA 0.450 5.090 4.640 -0.000 0.000 0.255 111 D C 1.223 177.508 176.300 -0.024 0.000 1.174 111 D CA -0.001 53.996 54.000 -0.006 0.000 1.008 111 D CB 1.456 42.253 40.800 -0.006 0.000 1.101 111 D HN 0.861 nan 8.370 nan 0.000 0.516 112 A N 0.082 122.881 122.820 -0.035 0.000 2.084 112 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 112 A C 2.154 179.677 177.584 -0.102 0.000 1.161 112 A CA 1.202 53.204 52.037 -0.059 0.000 0.653 112 A CB -0.762 18.201 19.000 -0.062 0.000 0.802 112 A HN 0.570 nan 8.150 nan 0.000 0.457 113 L N -2.368 118.783 121.223 -0.121 0.000 2.640 113 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 113 L C 1.599 178.423 176.870 -0.078 0.000 1.123 113 L CA 0.583 55.338 54.840 -0.142 0.000 0.900 113 L CB 0.394 42.334 42.059 -0.198 0.000 1.146 113 L HN 0.558 nan 8.230 nan 0.000 0.484 114 G N -0.676 108.094 108.800 -0.051 0.000 2.201 114 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.212 114 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.212 114 G C 0.074 174.958 174.900 -0.027 0.000 0.994 114 G CA -0.490 44.590 45.100 -0.033 0.000 0.644 114 G HN 0.314 nan 8.290 nan 0.000 0.508 115 N N 2.696 121.380 118.700 -0.027 0.000 2.483 115 N HA 0.348 5.088 4.740 -0.000 0.000 0.264 115 N C -2.715 172.789 175.510 -0.009 0.000 1.197 115 N CA -0.435 52.606 53.050 -0.016 0.000 0.927 115 N CB 1.315 39.794 38.487 -0.012 0.000 1.065 115 N HN 0.245 nan 8.380 nan 0.000 0.461 116 P HA 0.205 nan 4.420 nan 0.000 0.286 116 P C 0.435 177.736 177.300 0.001 0.000 1.269 116 P CA -0.284 62.814 63.100 -0.003 0.000 0.787 116 P CB 0.519 32.215 31.700 -0.006 0.000 0.920 117 I N -0.299 120.274 120.570 0.005 0.000 3.974 117 I HA 0.237 4.407 4.170 -0.000 0.000 0.334 117 I C 0.224 176.346 176.117 0.008 0.000 1.437 117 I CA -0.163 61.142 61.300 0.008 0.000 1.113 117 I CB -0.170 37.838 38.000 0.013 0.000 1.063 117 I HN 0.062 nan 8.210 nan 0.000 0.400 118 D N 0.807 121.210 120.400 0.005 0.000 2.392 118 D HA 0.138 4.778 4.640 -0.000 0.000 0.206 118 D C 1.573 177.873 176.300 0.001 0.000 1.046 118 D CA 0.520 54.522 54.000 0.003 0.000 0.865 118 D CB -0.037 40.763 40.800 0.001 0.000 0.969 118 D HN 0.301 nan 8.370 nan 0.000 0.509 119 G N 1.013 109.813 108.800 0.001 0.000 2.314 119 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.292 119 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.292 119 G C 0.126 175.025 174.900 -0.002 0.000 1.059 119 G CA 0.179 45.279 45.100 -0.000 0.000 0.982 119 G HN 0.410 nan 8.290 nan 0.000 0.505 120 K N 0.431 120.829 120.400 -0.003 0.000 3.135 120 K HA 0.486 4.806 4.320 -0.000 0.000 0.210 120 K C 1.179 177.775 176.600 -0.007 0.000 1.176 120 K CA 0.055 56.339 56.287 -0.005 0.000 1.064 120 K CB 0.474 32.971 32.500 -0.005 0.000 1.009 120 K HN 1.510 nan 8.250 nan 0.000 0.472 121 G N 2.323 111.120 108.800 -0.006 0.000 2.782 121 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.228 121 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.228 121 G C -2.868 172.026 174.900 -0.010 0.000 1.372 121 G CA -1.152 43.944 45.100 -0.008 0.000 0.862 121 G HN 0.174 nan 8.290 nan 0.000 0.547 122 P HA 0.549 nan 4.420 nan 0.000 0.278 122 P C 0.334 177.620 177.300 -0.023 0.000 1.258 122 P CA -0.880 62.211 63.100 -0.016 0.000 0.811 122 P CB 0.534 32.224 31.700 -0.016 0.000 1.063 123 I N 1.620 122.174 120.570 -0.027 0.000 2.618 123 I HA -0.029 4.141 4.170 -0.000 0.000 0.284 123 I C 0.817 176.904 176.117 -0.050 0.000 1.146 123 I CA 0.505 61.783 61.300 -0.038 0.000 1.425 123 I CB -0.326 37.650 38.000 -0.041 0.000 1.383 123 I HN 0.376 nan 8.210 nan 0.000 0.562 124 D N 6.119 126.483 120.400 -0.060 0.000 2.713 124 D HA 0.311 4.951 4.640 -0.000 0.000 0.229 124 D C 0.086 176.320 176.300 -0.111 0.000 1.136 124 D CA -0.218 53.738 54.000 -0.073 0.000 1.010 124 D CB 0.063 40.824 40.800 -0.066 0.000 1.084 124 D HN 0.572 nan 8.370 nan 0.000 0.495 125 A N 1.376 124.130 122.820 -0.110 0.000 2.363 125 A HA 0.565 4.885 4.320 -0.000 0.000 0.270 125 A C 0.815 178.298 177.584 -0.169 0.000 1.121 125 A CA -0.244 51.703 52.037 -0.151 0.000 0.800 125 A CB 0.865 19.796 19.000 -0.116 0.000 1.052 125 A HN 0.472 nan 8.150 nan 0.000 0.493 126 A N 2.226 124.891 122.820 -0.257 0.000 2.797 126 A HA 0.579 4.899 4.320 -0.000 0.000 0.287 126 A C 0.944 178.425 177.584 -0.173 0.000 1.369 126 A CA 0.578 52.473 52.037 -0.236 0.000 0.968 126 A CB -1.193 17.598 19.000 -0.348 0.000 1.069 126 A HN 2.650 nan 8.150 nan 0.000 0.571 127 G N -0.349 108.376 108.800 -0.125 0.000 2.381 127 G HA2 0.141 4.101 3.960 -0.000 0.000 0.672 127 G HA3 0.141 4.101 3.960 -0.000 0.000 0.672 127 G C -0.988 173.874 174.900 -0.063 0.000 1.324 127 G CA -1.177 43.881 45.100 -0.070 0.000 0.975 127 G HN 0.504 nan 8.290 nan 0.000 0.593 128 R N -0.390 120.093 120.500 -0.028 0.000 2.670 128 R HA 0.780 5.120 4.340 -0.000 0.000 0.289 128 R C -0.727 175.576 176.300 0.005 0.000 0.965 128 R CA -0.796 55.293 56.100 -0.018 0.000 0.899 128 R CB 2.213 32.504 30.300 -0.015 0.000 1.173 128 R HN 0.483 nan 8.270 nan 0.000 0.456 129 S N 1.280 116.987 115.700 0.012 0.000 2.513 129 S HA 0.416 4.886 4.470 -0.000 0.000 0.299 129 S C -0.375 174.238 174.600 0.022 0.000 1.087 129 S CA -0.868 57.349 58.200 0.029 0.000 1.012 129 S CB 1.743 64.974 63.200 0.052 0.000 1.044 129 S HN 0.384 nan 8.310 nan 0.000 0.485 130 R N 0.969 121.483 120.500 0.022 0.000 2.679 130 R HA 0.172 4.512 4.340 -0.000 0.000 0.268 130 R C 1.364 177.674 176.300 0.018 0.000 1.044 130 R CA 0.146 56.255 56.100 0.015 0.000 1.105 130 R CB 0.169 30.475 30.300 0.011 0.000 0.989 130 R HN 0.780 nan 8.270 nan 0.000 0.447 131 A N 3.246 126.069 122.820 0.006 0.000 1.902 131 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 131 A C 0.496 178.076 177.584 -0.007 0.000 1.181 131 A CA 1.199 53.240 52.037 0.008 0.000 0.623 131 A CB 0.066 19.056 19.000 -0.017 0.000 0.818 131 A HN 0.585 nan 8.150 nan 0.000 0.443 132 Q N 0.513 120.275 119.800 -0.064 0.000 2.430 132 Q HA 0.476 4.816 4.340 -0.000 0.000 0.245 132 Q C -1.350 174.632 176.000 -0.030 0.000 1.021 132 Q CA -0.080 55.662 55.803 -0.102 0.000 0.867 132 Q CB 1.311 29.942 28.738 -0.178 0.000 1.210 132 Q HN 0.166 nan 8.270 nan 0.000 0.487 133 V N 2.589 122.507 119.914 0.007 0.000 2.495 133 V HA 0.294 4.414 4.120 -0.000 0.000 0.298 133 V C 0.209 176.317 176.094 0.024 0.000 1.031 133 V CA -0.943 61.370 62.300 0.022 0.000 0.871 133 V CB 2.091 33.939 31.823 0.042 0.000 0.988 133 V HN 0.574 nan 8.190 nan 0.000 0.432 134 K N 3.268 123.681 120.400 0.022 0.000 2.350 134 K HA 0.543 4.863 4.320 -0.000 0.000 0.279 134 K C 0.398 177.018 176.600 0.033 0.000 1.027 134 K CA -0.093 56.211 56.287 0.028 0.000 0.969 134 K CB 0.799 33.318 32.500 0.031 0.000 0.954 134 K HN 0.905 nan 8.250 nan 0.000 0.474 135 A N 5.776 128.618 122.820 0.037 0.000 2.498 135 A HA 0.205 4.525 4.320 -0.000 0.000 0.239 135 A C -2.076 175.529 177.584 0.034 0.000 1.068 135 A CA -1.077 50.982 52.037 0.038 0.000 0.766 135 A CB -0.478 18.545 19.000 0.038 0.000 1.003 135 A HN 0.627 nan 8.150 nan 0.000 0.497 136 P HA 0.096 nan 4.420 nan 0.000 0.264 136 P C 0.810 178.127 177.300 0.027 0.000 1.173 136 P CA 0.933 64.048 63.100 0.026 0.000 0.761 136 P CB 0.338 32.053 31.700 0.025 0.000 0.794 137 G N 1.611 110.426 108.800 0.024 0.000 2.631 137 G HA2 0.065 4.025 3.960 -0.000 0.000 0.271 137 G HA3 0.065 4.025 3.960 -0.000 0.000 0.271 137 G C 1.149 176.063 174.900 0.024 0.000 1.302 137 G CA -0.568 44.546 45.100 0.024 0.000 1.002 137 G HN 0.449 nan 8.290 nan 0.000 0.519 138 I N -0.887 119.697 120.570 0.023 0.000 2.226 138 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 138 I C 2.592 178.721 176.117 0.019 0.000 1.100 138 I CA 0.771 62.085 61.300 0.022 0.000 1.374 138 I CB -0.107 37.906 38.000 0.021 0.000 1.057 138 I HN 0.299 nan 8.210 nan 0.000 0.413 139 L N 1.322 122.555 121.223 0.016 0.000 2.131 139 L HA -0.001 4.339 4.340 -0.000 0.000 0.206 139 L C -0.705 176.173 176.870 0.013 0.000 1.087 139 L CA 1.640 56.488 54.840 0.013 0.000 0.767 139 L CB -1.207 40.858 42.059 0.011 0.000 0.917 139 L HN 0.102 nan 8.230 nan 0.000 0.441 140 P HA 0.023 nan 4.420 nan 0.000 0.249 140 P C 0.102 177.412 177.300 0.016 0.000 1.241 140 P CA 0.509 63.616 63.100 0.012 0.000 0.781 140 P CB 0.117 31.822 31.700 0.009 0.000 1.088 141 R N -0.185 120.327 120.500 0.021 0.000 2.603 141 R HA 0.676 5.016 4.340 -0.000 0.000 0.231 141 R C 0.276 176.595 176.300 0.032 0.000 1.263 141 R CA -0.675 55.441 56.100 0.027 0.000 1.102 141 R CB 1.030 31.347 30.300 0.028 0.000 1.527 141 R HN -0.130 nan 8.270 nan 0.000 0.554 142 R N -0.222 120.302 120.500 0.040 0.000 2.664 142 R HA 0.097 4.437 4.340 -0.000 0.000 0.260 142 R C -1.382 174.956 176.300 0.063 0.000 1.062 142 R CA -0.387 55.745 56.100 0.053 0.000 0.902 142 R CB 1.812 32.157 30.300 0.074 0.000 1.258 142 R HN 0.887 nan 8.270 nan 0.000 0.465 143 S N 1.566 117.306 115.700 0.067 0.000 2.533 143 S HA 0.171 4.641 4.470 -0.000 0.000 0.282 143 S C 0.807 175.481 174.600 0.123 0.000 1.304 143 S CA -0.726 57.517 58.200 0.071 0.000 1.063 143 S CB 0.821 64.054 63.200 0.055 0.000 0.881 143 S HN 0.488 nan 8.310 nan 0.000 0.493 144 V N 2.672 122.628 119.914 0.070 0.000 2.763 144 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 144 V C 1.099 177.241 176.094 0.080 0.000 1.059 144 V CA 0.347 62.661 62.300 0.024 0.000 1.138 144 V CB -0.139 31.659 31.823 -0.042 0.000 0.940 144 V HN 1.150 nan 8.190 nan 0.000 0.489 145 H N 1.118 120.164 119.070 -0.040 0.000 3.583 145 H HA 0.403 4.959 4.556 -0.000 0.000 0.251 145 H C 0.250 175.535 175.328 -0.072 0.000 1.060 145 H CA -0.110 55.911 56.048 -0.045 0.000 1.159 145 H CB 0.274 30.015 29.762 -0.035 0.000 1.496 145 H HN 0.684 nan 8.280 nan 0.000 0.540 146 E N 4.386 124.283 120.200 -0.504 0.000 2.301 146 E HA 0.286 4.636 4.350 -0.000 0.000 0.275 146 E C -2.518 173.910 176.600 -0.286 0.000 1.030 146 E CA -1.954 54.211 56.400 -0.392 0.000 0.852 146 E CB 1.427 30.807 29.700 -0.532 0.000 1.060 146 E HN 0.238 nan 8.360 nan 0.000 0.401 147 P HA 0.079 nan 4.420 nan 0.000 0.292 147 P C -0.724 176.404 177.300 -0.286 0.000 1.287 147 P CA -0.465 62.505 63.100 -0.217 0.000 0.800 147 P CB 0.966 32.567 31.700 -0.164 0.000 0.945 148 V N 4.687 124.467 119.914 -0.224 0.000 2.338 148 V HA 0.057 4.177 4.120 -0.000 0.000 0.255 148 V C 1.017 177.014 176.094 -0.161 0.000 1.082 148 V CA -0.164 62.002 62.300 -0.223 0.000 0.951 148 V CB -0.502 31.228 31.823 -0.155 0.000 1.102 148 V HN 0.456 nan 8.190 nan 0.000 0.489 149 Q N 3.006 122.685 119.800 -0.202 0.000 2.325 149 Q HA 0.046 4.386 4.340 -0.000 0.000 0.256 149 Q C 1.558 177.575 176.000 0.028 0.000 1.142 149 Q CA 0.325 56.096 55.803 -0.053 0.000 0.902 149 Q CB 0.695 29.459 28.738 0.043 0.000 1.350 149 Q HN 0.939 nan 8.270 nan 0.000 0.449 150 T N -1.060 113.504 114.554 0.017 0.000 2.867 150 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 150 T C 1.398 176.132 174.700 0.057 0.000 1.057 150 T CA 0.907 63.025 62.100 0.029 0.000 1.136 150 T CB -0.013 68.862 68.868 0.013 0.000 0.874 150 T HN 0.836 nan 8.240 nan 0.000 0.466 151 G N 0.892 109.733 108.800 0.068 0.000 2.175 151 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 151 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 151 G C -0.093 174.834 174.900 0.044 0.000 0.982 151 G CA 0.075 45.215 45.100 0.068 0.000 0.641 151 G HN 0.640 nan 8.290 nan 0.000 0.527 152 L N 0.714 121.959 121.223 0.035 0.000 2.265 152 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 152 L C 1.695 178.584 176.870 0.032 0.000 1.033 152 L CA -0.837 54.020 54.840 0.027 0.000 0.814 152 L CB 1.291 43.360 42.059 0.018 0.000 1.203 152 L HN 0.068 nan 8.230 nan 0.000 0.423 153 K N 2.363 122.784 120.400 0.035 0.000 2.032 153 K HA -0.297 4.023 4.320 -0.000 0.000 0.218 153 K C 1.936 178.560 176.600 0.039 0.000 1.054 153 K CA 2.185 58.495 56.287 0.040 0.000 0.941 153 K CB -0.185 32.341 32.500 0.044 0.000 0.720 153 K HN 0.811 nan 8.250 nan 0.000 0.449 154 A N 0.585 123.428 122.820 0.038 0.000 1.972 154 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 154 A C 2.330 179.937 177.584 0.039 0.000 1.169 154 A CA 1.490 53.552 52.037 0.042 0.000 0.635 154 A CB -0.407 18.619 19.000 0.043 0.000 0.810 154 A HN 0.115 nan 8.150 nan 0.000 0.446 155 V N 0.049 119.981 119.914 0.031 0.000 2.346 155 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 155 V C 2.072 178.179 176.094 0.023 0.000 1.037 155 V CA 2.054 64.369 62.300 0.026 0.000 1.029 155 V CB -0.733 31.101 31.823 0.018 0.000 0.663 155 V HN 0.420 nan 8.190 nan 0.000 0.454 156 D N 0.465 120.879 120.400 0.024 0.000 2.178 156 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 156 D C 2.113 178.427 176.300 0.024 0.000 0.974 156 D CA 1.504 55.516 54.000 0.020 0.000 0.841 156 D CB -0.146 40.669 40.800 0.025 0.000 0.953 156 D HN 0.420 nan 8.370 nan 0.000 0.478 157 A N -0.374 122.465 122.820 0.032 0.000 1.935 157 A HA 0.051 4.371 4.320 -0.000 0.000 0.214 157 A C 2.095 179.701 177.584 0.037 0.000 1.178 157 A CA 0.733 52.792 52.037 0.036 0.000 0.640 157 A CB -0.207 18.818 19.000 0.042 0.000 0.825 157 A HN 0.216 nan 8.150 nan 0.000 0.447 158 L N -1.093 120.154 121.223 0.039 0.000 2.467 158 L HA 0.152 4.492 4.340 -0.000 0.000 0.213 158 L C 0.298 177.190 176.870 0.038 0.000 1.053 158 L CA 0.329 55.195 54.840 0.044 0.000 0.847 158 L CB 0.494 42.586 42.059 0.055 0.000 1.075 158 L HN 0.188 nan 8.230 nan 0.000 0.479 159 V N -2.235 117.698 119.914 0.032 0.000 2.468 159 V HA 0.405 4.525 4.120 -0.000 0.000 0.256 159 V C -2.731 173.372 176.094 0.015 0.000 0.998 159 V CA -1.611 60.705 62.300 0.027 0.000 1.114 159 V CB -0.216 31.626 31.823 0.033 0.000 1.378 159 V HN -0.071 nan 8.190 nan 0.000 0.573 160 P HA 0.442 nan 4.420 nan 0.000 0.275 160 P C -0.316 176.975 177.300 -0.016 0.000 1.227 160 P CA 0.171 63.268 63.100 -0.005 0.000 0.781 160 P CB 1.749 33.447 31.700 -0.005 0.000 0.906 161 I N 1.588 122.139 120.570 -0.032 0.000 2.460 161 I HA 0.530 4.700 4.170 -0.000 0.000 0.298 161 I C 1.129 177.202 176.117 -0.074 0.000 0.989 161 I CA -0.493 60.781 61.300 -0.044 0.000 1.173 161 I CB 1.825 39.799 38.000 -0.044 0.000 1.338 161 I HN 0.331 nan 8.210 nan 0.000 0.456 162 G N 3.974 112.729 108.800 -0.075 0.000 2.471 162 G HA2 0.542 4.502 3.960 -0.000 0.000 0.332 162 G HA3 0.542 4.502 3.960 -0.000 0.000 0.332 162 G C -0.610 174.216 174.900 -0.124 0.000 1.176 162 G CA -0.900 44.133 45.100 -0.112 0.000 0.949 162 G HN 0.538 nan 8.290 nan 0.000 0.488 163 R N 0.281 120.674 120.500 -0.179 0.000 2.242 163 R HA 0.443 4.783 4.340 -0.000 0.000 0.334 163 R C 0.912 177.160 176.300 -0.087 0.000 1.071 163 R CA 0.647 56.652 56.100 -0.158 0.000 0.922 163 R CB 0.746 30.887 30.300 -0.266 0.000 1.023 163 R HN 1.029 nan 8.270 nan 0.000 0.458 164 G N 1.873 110.649 108.800 -0.040 0.000 2.227 164 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.168 164 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.168 164 G C 0.026 174.923 174.900 -0.005 0.000 1.006 164 G CA -0.487 44.608 45.100 -0.008 0.000 0.684 164 G HN 0.549 nan 8.290 nan 0.000 0.489 165 Q N 0.403 120.192 119.800 -0.019 0.000 2.227 165 Q HA 0.684 5.024 4.340 -0.000 0.000 0.245 165 Q C -0.205 175.792 176.000 -0.005 0.000 0.926 165 Q CA -0.748 55.048 55.803 -0.011 0.000 0.895 165 Q CB 0.636 29.362 28.738 -0.021 0.000 1.230 165 Q HN 0.392 nan 8.270 nan 0.000 0.450 166 R N 2.387 122.890 120.500 0.006 0.000 2.288 166 R HA 0.290 4.630 4.340 -0.000 0.000 0.326 166 R C -1.241 175.063 176.300 0.006 0.000 0.959 166 R CA -0.549 55.557 56.100 0.011 0.000 0.834 166 R CB 1.321 31.634 30.300 0.022 0.000 1.157 166 R HN 0.443 nan 8.270 nan 0.000 0.470 167 E N 3.317 123.517 120.200 0.000 0.000 2.216 167 E HA 0.206 4.556 4.350 -0.000 0.000 0.260 167 E C -1.555 175.046 176.600 0.002 0.000 0.880 167 E CA -0.904 55.497 56.400 0.002 0.000 0.765 167 E CB 1.112 30.810 29.700 -0.003 0.000 1.174 167 E HN 0.403 nan 8.360 nan 0.000 0.417 168 L N 5.601 126.828 121.223 0.007 0.000 2.367 168 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 168 L C -0.978 175.900 176.870 0.013 0.000 1.129 168 L CA 0.111 54.953 54.840 0.004 0.000 0.839 168 L CB 0.437 42.498 42.059 0.003 0.000 1.133 168 L HN 0.640 nan 8.230 nan 0.000 0.453 169 I N 6.851 127.422 120.570 0.002 0.000 2.321 169 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 169 I C -0.202 175.916 176.117 0.002 0.000 0.998 169 I CA -0.147 61.154 61.300 0.001 0.000 1.227 169 I CB 1.299 39.292 38.000 -0.012 0.000 1.368 169 I HN 0.608 nan 8.210 nan 0.000 0.466 170 I N 4.921 125.503 120.570 0.020 0.000 2.769 170 I HA 0.919 5.089 4.170 -0.000 0.000 0.298 170 I C -0.264 175.836 176.117 -0.029 0.000 1.128 170 I CA 0.002 61.333 61.300 0.051 0.000 1.031 170 I CB 2.145 40.236 38.000 0.151 0.000 1.235 170 I HN 0.726 nan 8.210 nan 0.000 0.423 171 G N 4.420 113.196 108.800 -0.040 0.000 2.324 171 G HA2 0.132 4.092 3.960 -0.000 0.000 0.293 171 G HA3 0.132 4.092 3.960 -0.000 0.000 0.293 171 G C -1.886 172.956 174.900 -0.097 0.000 1.297 171 G CA -0.798 44.179 45.100 -0.205 0.000 0.853 171 G HN 0.562 nan 8.290 nan 0.000 0.535 172 D N -0.160 120.162 120.400 -0.131 0.000 2.372 172 D HA 0.369 5.009 4.640 -0.000 0.000 0.243 172 D C 1.121 177.354 176.300 -0.111 0.000 1.297 172 D CA -0.023 53.931 54.000 -0.077 0.000 0.958 172 D CB 0.414 41.171 40.800 -0.071 0.000 1.114 172 D HN 0.509 nan 8.370 nan 0.000 0.496 173 R N 0.672 121.124 120.500 -0.080 0.000 2.623 173 R HA -0.037 4.303 4.340 -0.000 0.000 0.271 173 R C -0.085 176.121 176.300 -0.158 0.000 1.043 173 R CA 0.086 56.133 56.100 -0.089 0.000 1.083 173 R CB 0.216 30.488 30.300 -0.047 0.000 0.974 173 R HN 0.334 nan 8.270 nan 0.000 0.436 174 Q N 1.036 120.729 119.800 -0.179 0.000 2.443 174 Q HA -0.164 4.176 4.340 -0.000 0.000 0.337 174 Q C -0.071 175.543 176.000 -0.644 0.000 1.401 174 Q CA 1.514 57.151 55.803 -0.277 0.000 0.943 174 Q CB -1.435 27.215 28.738 -0.147 0.000 1.177 174 Q HN 0.904 nan 8.270 nan 0.000 0.394 175 T N -4.647 109.512 114.554 -0.658 0.000 3.182 175 T HA 0.458 4.808 4.350 -0.000 0.000 0.277 175 T C 1.025 175.301 174.700 -0.706 0.000 1.013 175 T CA 0.449 61.977 62.100 -0.954 0.000 0.900 175 T CB 1.048 69.619 68.868 -0.495 0.000 1.098 175 T HN 0.833 nan 8.240 nan 0.000 0.543 176 G N 2.035 110.554 108.800 -0.468 0.000 2.149 176 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.235 176 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.235 176 G C 0.736 175.590 174.900 -0.077 0.000 1.018 176 G CA 0.382 45.422 45.100 -0.100 0.000 0.728 176 G HN 0.536 nan 8.290 nan 0.000 0.508 177 K N -0.557 119.778 120.400 -0.108 0.000 1.973 177 K HA -0.051 4.269 4.320 -0.000 0.000 0.210 177 K C 2.603 179.188 176.600 -0.024 0.000 1.045 177 K CA 1.802 58.049 56.287 -0.067 0.000 0.937 177 K CB -0.503 31.953 32.500 -0.073 0.000 0.721 177 K HN 0.282 nan 8.250 nan 0.000 0.438 178 T N 1.600 116.152 114.554 -0.003 0.000 2.699 178 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 178 T C 2.012 176.715 174.700 0.005 0.000 1.036 178 T CA 1.571 63.699 62.100 0.046 0.000 1.147 178 T CB -0.370 68.542 68.868 0.073 0.000 0.862 178 T HN 0.380 nan 8.240 nan 0.000 0.446 179 A N 0.838 123.636 122.820 -0.036 0.000 1.940 179 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 179 A C 2.603 180.137 177.584 -0.083 0.000 1.176 179 A CA 1.474 53.455 52.037 -0.093 0.000 0.631 179 A CB -1.010 17.931 19.000 -0.098 0.000 0.814 179 A HN 0.374 nan 8.150 nan 0.000 0.446 180 V N -0.180 119.709 119.914 -0.042 0.000 2.261 180 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 180 V C 3.089 179.173 176.094 -0.017 0.000 1.047 180 V CA 2.069 64.352 62.300 -0.027 0.000 1.015 180 V CB -1.312 30.502 31.823 -0.014 0.000 0.642 180 V HN 0.627 nan 8.190 nan 0.000 0.446 181 A N -0.422 122.399 122.820 0.001 0.000 1.908 181 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 181 A C 2.165 179.758 177.584 0.015 0.000 1.181 181 A CA 2.185 54.237 52.037 0.025 0.000 0.627 181 A CB -0.614 18.430 19.000 0.074 0.000 0.818 181 A HN 0.432 nan 8.150 nan 0.000 0.445 182 L N -0.032 121.178 121.223 -0.021 0.000 2.056 182 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 182 L C 1.487 178.327 176.870 -0.049 0.000 1.078 182 L CA 2.444 57.245 54.840 -0.065 0.000 0.749 182 L CB -0.787 41.210 42.059 -0.104 0.000 0.901 182 L HN 0.349 nan 8.230 nan 0.000 0.433 183 D N -1.663 118.700 120.400 -0.061 0.000 2.224 183 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 183 D C 2.060 178.372 176.300 0.020 0.000 0.965 183 D CA 1.249 55.230 54.000 -0.032 0.000 0.852 183 D CB -0.003 40.758 40.800 -0.065 0.000 0.947 183 D HN 0.282 nan 8.370 nan 0.000 0.494 184 T N 0.549 115.113 114.554 0.017 0.000 2.665 184 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 184 T C 2.057 176.797 174.700 0.066 0.000 1.035 184 T CA 0.817 62.938 62.100 0.035 0.000 1.151 184 T CB -0.260 68.617 68.868 0.015 0.000 0.862 184 T HN 0.168 nan 8.240 nan 0.000 0.438 185 I N 0.609 121.222 120.570 0.071 0.000 2.179 185 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 185 I C 2.309 178.566 176.117 0.233 0.000 1.088 185 I CA 1.190 62.576 61.300 0.143 0.000 1.357 185 I CB -0.451 37.603 38.000 0.089 0.000 1.051 185 I HN 0.190 nan 8.210 nan 0.000 0.409 186 L N 0.407 121.714 121.223 0.140 0.000 2.042 186 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 186 L C 2.283 179.278 176.870 0.209 0.000 1.076 186 L CA 1.557 56.498 54.840 0.170 0.000 0.749 186 L CB -0.841 41.261 42.059 0.071 0.000 0.893 186 L HN 0.330 nan 8.230 nan 0.000 0.432 187 N N -0.307 118.482 118.700 0.148 0.000 2.348 187 N HA -0.194 4.546 4.740 -0.000 0.000 0.185 187 N C 1.747 177.349 175.510 0.154 0.000 1.019 187 N CA 0.880 54.008 53.050 0.130 0.000 0.880 187 N CB 0.067 38.637 38.487 0.139 0.000 0.965 187 N HN 0.259 nan 8.380 nan 0.000 0.437 188 Q N 0.034 119.915 119.800 0.136 0.000 2.488 188 Q HA -0.048 4.292 4.340 -0.000 0.000 0.211 188 Q C 1.444 177.321 176.000 -0.204 0.000 0.967 188 Q CA 0.401 56.235 55.803 0.053 0.000 0.926 188 Q CB -0.113 28.494 28.738 -0.218 0.000 0.992 188 Q HN 0.472 nan 8.270 nan 0.000 0.506 189 K N 1.117 121.454 120.400 -0.105 0.000 2.281 189 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 189 K C 1.743 178.237 176.600 -0.177 0.000 1.046 189 K CA 0.750 57.022 56.287 -0.023 0.000 0.938 189 K CB 0.180 32.770 32.500 0.151 0.000 0.737 189 K HN 0.131 nan 8.250 nan 0.000 0.458 190 R N -0.946 119.320 120.500 -0.389 0.000 2.115 190 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 190 R C 1.553 177.372 176.300 -0.802 0.000 1.111 190 R CA 1.279 56.901 56.100 -0.797 0.000 0.976 190 R CB 0.003 29.371 30.300 -1.554 0.000 0.870 190 R HN 0.408 nan 8.270 nan 0.000 0.445 191 W N -0.340 120.869 121.300 -0.151 0.000 2.866 191 W HA 0.204 4.864 4.660 -0.000 0.000 0.258 191 W C 1.176 177.590 176.519 -0.174 0.000 1.183 191 W CA -0.530 56.725 57.345 -0.150 0.000 1.451 191 W CB -0.316 29.044 29.460 -0.167 0.000 0.959 191 W HN 0.025 nan 8.180 nan 0.000 0.622 192 N N 1.343 120.013 118.700 -0.050 0.000 2.520 192 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 192 N C 0.952 176.458 175.510 -0.007 0.000 1.068 192 N CA 0.825 53.791 53.050 -0.141 0.000 0.911 192 N CB -0.438 37.768 38.487 -0.470 0.000 0.961 192 N HN 0.133 nan 8.380 nan 0.000 0.446 193 N N 0.061 118.753 118.700 -0.013 0.000 2.463 193 N HA 0.028 4.768 4.740 -0.000 0.000 0.181 193 N C 1.006 176.524 175.510 0.013 0.000 1.078 193 N CA 0.178 53.236 53.050 0.013 0.000 0.902 193 N CB 0.237 38.713 38.487 -0.018 0.000 0.970 193 N HN 0.169 nan 8.380 nan 0.000 0.451 194 G N -0.896 107.914 108.800 0.017 0.000 2.568 194 G HA2 0.334 4.294 3.960 -0.000 0.000 0.293 194 G HA3 0.334 4.294 3.960 -0.000 0.000 0.293 194 G C 0.606 175.539 174.900 0.056 0.000 1.347 194 G CA -0.278 44.840 45.100 0.030 0.000 1.039 194 G HN 0.093 nan 8.290 nan 0.000 0.523 195 S N -0.890 114.844 115.700 0.057 0.000 2.427 195 S HA 0.055 4.525 4.470 -0.000 0.000 0.224 195 S C 0.718 175.364 174.600 0.077 0.000 1.047 195 S CA 0.109 58.348 58.200 0.066 0.000 0.953 195 S CB -0.024 63.207 63.200 0.052 0.000 0.824 195 S HN 0.588 nan 8.310 nan 0.000 0.502 196 D N 2.206 122.651 120.400 0.075 0.000 2.412 196 D HA 0.051 4.691 4.640 -0.000 0.000 0.257 196 D C 0.907 177.257 176.300 0.084 0.000 1.217 196 D CA 0.185 54.230 54.000 0.076 0.000 0.897 196 D CB 0.587 41.431 40.800 0.073 0.000 1.132 196 D HN 0.071 nan 8.370 nan 0.000 0.493 197 E N 1.579 121.834 120.200 0.091 0.000 2.047 197 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 197 E C 1.829 178.504 176.600 0.124 0.000 0.987 197 E CA 0.926 57.396 56.400 0.116 0.000 0.799 197 E CB -0.424 29.349 29.700 0.121 0.000 0.752 197 E HN 0.591 nan 8.360 nan 0.000 0.449 198 S N 0.561 116.332 115.700 0.118 0.000 2.584 198 S HA -0.035 4.435 4.470 -0.000 0.000 0.240 198 S C 1.485 176.120 174.600 0.058 0.000 0.975 198 S CA 0.722 59.035 58.200 0.189 0.000 0.949 198 S CB 0.011 63.296 63.200 0.141 0.000 0.761 198 S HN 0.052 nan 8.310 nan 0.000 0.536 199 K N 0.494 120.895 120.400 0.002 0.000 2.367 199 K HA 0.268 4.588 4.320 -0.000 0.000 0.195 199 K C 0.241 176.738 176.600 -0.172 0.000 1.060 199 K CA 0.086 56.291 56.287 -0.137 0.000 1.022 199 K CB 0.319 32.822 32.500 0.004 0.000 0.894 199 K HN 0.384 nan 8.250 nan 0.000 0.540 200 K N 1.417 121.774 120.400 -0.071 0.000 2.185 200 K HA 0.217 4.537 4.320 -0.000 0.000 0.271 200 K C -0.686 175.732 176.600 -0.305 0.000 1.013 200 K CA -0.457 55.713 56.287 -0.195 0.000 0.943 200 K CB 0.844 33.195 32.500 -0.248 0.000 0.998 200 K HN -0.155 nan 8.250 nan 0.000 0.468 201 L N 3.943 124.902 121.223 -0.440 0.000 2.404 201 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 201 L C -1.622 174.984 176.870 -0.439 0.000 0.980 201 L CA -0.404 54.220 54.840 -0.360 0.000 0.836 201 L CB 0.797 42.697 42.059 -0.264 0.000 1.238 201 L HN 0.460 nan 8.230 nan 0.000 0.408 202 Y N 3.174 123.396 120.300 -0.129 0.000 2.320 202 Y HA 0.516 5.066 4.550 0.000 0.000 0.324 202 Y C 0.297 176.078 175.900 -0.199 0.000 1.190 202 Y CA -0.266 57.705 58.100 -0.215 0.000 1.215 202 Y CB 1.246 39.326 38.460 -0.634 0.000 1.221 202 Y HN 0.499 nan 8.280 nan 0.000 0.486 203 C N 2.858 122.208 119.300 0.083 0.000 2.351 203 C HA 0.671 5.131 4.460 -0.000 0.000 0.326 203 C C -0.421 174.581 174.990 0.020 0.000 1.272 203 C CA -1.104 57.949 59.018 0.057 0.000 1.650 203 C CB 0.455 28.285 27.740 0.151 0.000 2.257 203 C HN 0.548 nan 8.230 nan 0.000 0.505 204 V N 3.641 123.549 119.914 -0.010 0.000 2.350 204 V HA 0.279 4.399 4.120 -0.000 0.000 0.285 204 V C -0.927 175.171 176.094 0.005 0.000 1.014 204 V CA -0.535 61.762 62.300 -0.005 0.000 0.831 204 V CB 0.850 32.649 31.823 -0.040 0.000 1.000 204 V HN 0.811 nan 8.190 nan 0.000 0.433 205 Y N 5.270 125.527 120.300 -0.071 0.000 2.417 205 Y HA 0.615 5.165 4.550 0.000 0.000 0.336 205 Y C -0.179 175.691 175.900 -0.051 0.000 0.961 205 Y CA -0.700 57.355 58.100 -0.075 0.000 1.215 205 Y CB 1.442 39.873 38.460 -0.049 0.000 1.120 205 Y HN 0.463 nan 8.280 nan 0.000 0.499 206 V N 5.858 125.525 119.914 -0.413 0.000 2.385 206 V HA 0.582 4.702 4.120 -0.000 0.000 0.269 206 V C 0.218 176.022 176.094 -0.482 0.000 1.043 206 V CA -0.542 61.587 62.300 -0.284 0.000 0.906 206 V CB 0.636 32.395 31.823 -0.106 0.000 0.995 206 V HN 0.901 nan 8.190 nan 0.000 0.467 207 A N 5.322 127.991 122.820 -0.252 0.000 2.341 207 A HA 0.697 5.017 4.320 -0.000 0.000 0.326 207 A C -0.445 177.110 177.584 -0.048 0.000 1.402 207 A CA -0.407 51.543 52.037 -0.145 0.000 0.957 207 A CB 0.571 19.621 19.000 0.083 0.000 1.151 207 A HN 0.688 nan 8.150 nan 0.000 0.533 208 V N 2.832 122.716 119.914 -0.050 0.000 2.313 208 V HA 0.601 4.721 4.120 -0.000 0.000 0.278 208 V C 1.218 177.326 176.094 0.024 0.000 1.017 208 V CA 0.673 62.972 62.300 -0.002 0.000 0.823 208 V CB 0.349 32.169 31.823 -0.005 0.000 1.010 208 V HN 1.675 nan 8.190 nan 0.000 0.443 209 G N 3.841 112.665 108.800 0.041 0.000 2.225 209 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 209 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 209 G C 0.304 175.231 174.900 0.045 0.000 0.988 209 G CA 0.229 45.359 45.100 0.050 0.000 0.625 209 G HN 0.601 nan 8.290 nan 0.000 0.527 210 Q N 0.396 120.222 119.800 0.044 0.000 2.651 210 Q HA 0.415 4.755 4.340 -0.000 0.000 0.224 210 Q C 0.372 176.401 176.000 0.049 0.000 1.094 210 Q CA 0.265 56.098 55.803 0.050 0.000 1.018 210 Q CB 0.399 29.178 28.738 0.068 0.000 1.292 210 Q HN 0.435 nan 8.270 nan 0.000 0.588 211 K N 0.653 121.081 120.400 0.048 0.000 2.237 211 K HA 0.063 4.383 4.320 -0.000 0.000 0.270 211 K C 0.912 177.540 176.600 0.045 0.000 1.015 211 K CA -0.163 56.150 56.287 0.042 0.000 0.949 211 K CB 0.651 33.173 32.500 0.037 0.000 0.976 211 K HN 0.421 nan 8.250 nan 0.000 0.472 212 R N 1.164 121.687 120.500 0.039 0.000 2.094 212 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 212 R C 2.028 178.349 176.300 0.035 0.000 1.137 212 R CA 2.406 58.528 56.100 0.037 0.000 0.943 212 R CB -0.264 30.054 30.300 0.031 0.000 0.850 212 R HN 0.859 nan 8.270 nan 0.000 0.433 213 S N -0.952 114.766 115.700 0.031 0.000 2.400 213 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 213 S C 1.791 176.409 174.600 0.030 0.000 1.025 213 S CA 1.752 59.968 58.200 0.027 0.000 0.993 213 S CB -0.527 62.688 63.200 0.025 0.000 0.808 213 S HN 0.412 nan 8.310 nan 0.000 0.478 214 T N 1.741 116.318 114.554 0.039 0.000 2.896 214 T HA 0.111 4.461 4.350 -0.000 0.000 0.263 214 T C 1.930 176.657 174.700 0.046 0.000 1.050 214 T CA 0.909 63.035 62.100 0.043 0.000 1.140 214 T CB -0.582 68.318 68.868 0.054 0.000 0.877 214 T HN 0.289 nan 8.240 nan 0.000 0.457 215 V N 2.209 122.159 119.914 0.060 0.000 2.295 215 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 215 V C 3.066 179.177 176.094 0.027 0.000 1.049 215 V CA 1.719 64.059 62.300 0.067 0.000 1.024 215 V CB -1.397 30.478 31.823 0.088 0.000 0.648 215 V HN 0.555 nan 8.190 nan 0.000 0.447 216 A N -0.711 122.124 122.820 0.024 0.000 1.892 216 A HA -0.348 3.972 4.320 -0.000 0.000 0.218 216 A C 2.176 179.759 177.584 -0.002 0.000 1.188 216 A CA 2.397 54.440 52.037 0.010 0.000 0.631 216 A CB -0.544 18.463 19.000 0.012 0.000 0.822 216 A HN 0.645 nan 8.150 nan 0.000 0.447 217 Q N -1.245 118.556 119.800 0.002 0.000 2.245 217 Q HA 0.083 4.423 4.340 -0.000 0.000 0.201 217 Q C 2.084 178.072 176.000 -0.021 0.000 0.955 217 Q CA 0.967 56.767 55.803 -0.005 0.000 0.870 217 Q CB -0.153 28.589 28.738 0.008 0.000 0.945 217 Q HN 0.726 nan 8.270 nan 0.000 0.461 218 L N -0.174 121.029 121.223 -0.032 0.000 2.027 218 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 218 L C 1.999 178.805 176.870 -0.106 0.000 1.074 218 L CA 0.870 55.661 54.840 -0.083 0.000 0.745 218 L CB -0.068 41.908 42.059 -0.139 0.000 0.898 218 L HN 0.007 nan 8.230 nan 0.000 0.433 219 V N -0.140 119.727 119.914 -0.079 0.000 2.490 219 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 219 V C 2.500 178.560 176.094 -0.058 0.000 1.061 219 V CA 1.766 64.023 62.300 -0.071 0.000 1.064 219 V CB -0.607 31.194 31.823 -0.038 0.000 0.670 219 V HN 0.556 nan 8.190 nan 0.000 0.461 220 Q N 0.608 120.382 119.800 -0.044 0.000 2.124 220 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 220 Q C 2.162 178.140 176.000 -0.037 0.000 0.977 220 Q CA 2.557 58.339 55.803 -0.035 0.000 0.850 220 Q CB -0.719 28.003 28.738 -0.027 0.000 0.901 220 Q HN 0.660 nan 8.270 nan 0.000 0.429 221 T N 0.777 115.298 114.554 -0.055 0.000 2.777 221 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 221 T C 1.794 176.470 174.700 -0.041 0.000 1.040 221 T CA 1.192 63.255 62.100 -0.062 0.000 1.141 221 T CB -0.292 68.500 68.868 -0.127 0.000 0.868 221 T HN 0.220 nan 8.240 nan 0.000 0.444 222 L N 0.796 121.963 121.223 -0.094 0.000 2.081 222 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 222 L C 2.809 179.638 176.870 -0.069 0.000 1.080 222 L CA 1.292 56.066 54.840 -0.111 0.000 0.754 222 L CB -0.458 41.508 42.059 -0.155 0.000 0.893 222 L HN 0.221 nan 8.230 nan 0.000 0.433 223 E N 0.138 120.310 120.200 -0.046 0.000 2.107 223 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 223 E C 2.185 178.780 176.600 -0.008 0.000 0.982 223 E CA 1.254 57.634 56.400 -0.034 0.000 0.809 223 E CB 0.012 29.693 29.700 -0.033 0.000 0.756 223 E HN 0.404 nan 8.360 nan 0.000 0.459 224 Q N -1.061 118.755 119.800 0.027 0.000 2.119 224 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 224 Q C 1.122 177.108 176.000 -0.023 0.000 0.972 224 Q CA 1.402 57.212 55.803 0.011 0.000 0.847 224 Q CB -0.043 28.715 28.738 0.033 0.000 0.903 224 Q HN 0.437 nan 8.270 nan 0.000 0.433 225 H N -0.392 118.635 119.070 -0.071 0.000 2.526 225 H HA 0.060 4.616 4.556 -0.000 0.000 0.274 225 H C -0.409 174.897 175.328 -0.035 0.000 0.999 225 H CA 0.327 56.349 56.048 -0.043 0.000 1.157 225 H CB 0.232 29.981 29.762 -0.021 0.000 1.407 225 H HN 0.148 nan 8.280 nan 0.000 0.568 226 D N -0.306 120.113 120.400 0.032 0.000 2.751 226 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 226 D C 0.905 177.160 176.300 -0.074 0.000 1.149 226 D CA 0.760 54.754 54.000 -0.009 0.000 0.682 226 D CB -1.083 39.727 40.800 0.016 0.000 1.068 226 D HN 0.517 nan 8.370 nan 0.000 0.429 227 A N -0.799 121.906 122.820 -0.191 0.000 2.303 227 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 227 A C 1.867 179.000 177.584 -0.751 0.000 1.205 227 A CA 0.778 52.440 52.037 -0.624 0.000 0.875 227 A CB -0.016 18.796 19.000 -0.314 0.000 0.910 227 A HN 0.300 nan 8.150 nan 0.000 0.501 228 M N 1.193 120.582 119.600 -0.352 0.000 2.254 228 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 228 M C 1.932 178.123 176.300 -0.183 0.000 1.066 228 M CA 1.869 57.032 55.300 -0.229 0.000 1.123 228 M CB -0.444 32.084 32.600 -0.120 0.000 1.388 228 M HN 0.481 nan 8.290 nan 0.000 0.425 229 K N -0.554 119.750 120.400 -0.160 0.000 2.362 229 K HA -0.161 4.159 4.320 -0.000 0.000 0.200 229 K C 0.669 177.334 176.600 0.108 0.000 1.046 229 K CA 1.557 57.838 56.287 -0.010 0.000 0.952 229 K CB -0.710 31.819 32.500 0.048 0.000 0.753 229 K HN 0.596 nan 8.250 nan 0.000 0.466 230 Y N 0.114 120.479 120.300 0.108 0.000 2.584 230 Y HA 0.400 4.950 4.550 -0.000 0.000 0.254 230 Y C -0.254 175.727 175.900 0.135 0.000 1.177 230 Y CA -1.120 57.080 58.100 0.167 0.000 1.216 230 Y CB -0.040 38.488 38.460 0.113 0.000 1.172 230 Y HN 0.078 nan 8.280 nan 0.000 0.529 231 S N 0.342 116.075 115.700 0.055 0.000 2.599 231 S HA 0.826 5.296 4.470 -0.000 0.000 0.294 231 S C -0.992 173.634 174.600 0.044 0.000 1.094 231 S CA -0.764 57.467 58.200 0.051 0.000 0.931 231 S CB 2.195 65.370 63.200 -0.040 0.000 1.093 231 S HN 0.228 nan 8.310 nan 0.000 0.488 232 I N 1.601 122.204 120.570 0.055 0.000 2.498 232 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 232 I C -1.130 175.030 176.117 0.071 0.000 1.032 232 I CA -0.892 60.443 61.300 0.058 0.000 1.073 232 I CB 1.785 39.830 38.000 0.076 0.000 1.251 232 I HN 0.499 nan 8.210 nan 0.000 0.426 233 I N 6.684 127.295 120.570 0.069 0.000 2.354 233 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 233 I C -0.137 176.023 176.117 0.071 0.000 0.989 233 I CA -0.822 60.540 61.300 0.104 0.000 1.188 233 I CB 1.515 39.580 38.000 0.107 0.000 1.342 233 I HN 0.142 nan 8.210 nan 0.000 0.457 234 V N 5.740 125.690 119.914 0.060 0.000 2.357 234 V HA 0.713 4.833 4.120 -0.000 0.000 0.284 234 V C 0.367 176.476 176.094 0.026 0.000 1.018 234 V CA -0.567 61.752 62.300 0.030 0.000 0.841 234 V CB 1.408 33.241 31.823 0.017 0.000 0.991 234 V HN 0.879 nan 8.190 nan 0.000 0.437 235 A N 4.190 127.027 122.820 0.028 0.000 2.331 235 A HA 0.924 5.244 4.320 -0.000 0.000 0.320 235 A C -0.034 177.565 177.584 0.025 0.000 1.138 235 A CA -0.328 51.729 52.037 0.033 0.000 0.790 235 A CB 1.587 20.617 19.000 0.050 0.000 1.206 235 A HN 1.380 nan 8.150 nan 0.000 0.470 236 A N 2.664 125.501 122.820 0.028 0.000 2.984 236 A HA 0.604 4.924 4.320 -0.000 0.000 0.320 236 A C 0.309 177.921 177.584 0.047 0.000 1.142 236 A CA 0.153 52.213 52.037 0.039 0.000 0.772 236 A CB -0.343 18.683 19.000 0.043 0.000 1.195 236 A HN 1.418 nan 8.150 nan 0.000 0.459 237 T N -1.394 113.188 114.554 0.047 0.000 2.754 237 T HA 0.534 4.884 4.350 -0.000 0.000 0.286 237 T C 1.671 176.401 174.700 0.050 0.000 0.997 237 T CA 0.148 62.277 62.100 0.047 0.000 0.982 237 T CB 0.938 69.833 68.868 0.044 0.000 1.027 237 T HN 1.303 nan 8.240 nan 0.000 0.529 238 A N 1.021 123.869 122.820 0.046 0.000 1.940 238 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 238 A C 2.560 180.170 177.584 0.043 0.000 1.190 238 A CA 2.782 54.846 52.037 0.045 0.000 0.647 238 A CB -1.543 17.481 19.000 0.039 0.000 0.821 238 A HN 1.285 nan 8.150 nan 0.000 0.457 239 S N -0.934 114.790 115.700 0.040 0.000 2.548 239 S HA 0.152 4.622 4.470 -0.000 0.000 0.215 239 S C 0.438 175.063 174.600 0.042 0.000 0.976 239 S CA 0.008 58.230 58.200 0.036 0.000 0.908 239 S CB -0.130 63.088 63.200 0.030 0.000 0.781 239 S HN 0.602 nan 8.310 nan 0.000 0.519 240 E N 1.586 121.817 120.200 0.051 0.000 2.390 240 E HA 0.526 4.876 4.350 -0.000 0.000 0.261 240 E C 0.239 176.884 176.600 0.076 0.000 1.076 240 E CA -0.168 56.269 56.400 0.063 0.000 0.905 240 E CB 0.791 30.532 29.700 0.069 0.000 0.984 240 E HN 0.525 nan 8.360 nan 0.000 0.427 241 A N 2.051 124.923 122.820 0.086 0.000 2.561 241 A HA 0.137 4.457 4.320 -0.000 0.000 0.234 241 A C 1.294 178.954 177.584 0.126 0.000 1.055 241 A CA 0.685 52.776 52.037 0.090 0.000 0.756 241 A CB 0.202 19.259 19.000 0.096 0.000 0.986 241 A HN 0.821 nan 8.150 nan 0.000 0.505 242 A N 3.748 126.628 122.820 0.101 0.000 1.884 242 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 242 A C -0.067 177.655 177.584 0.229 0.000 1.197 242 A CA 2.259 54.373 52.037 0.129 0.000 0.637 242 A CB -1.811 17.232 19.000 0.071 0.000 0.827 242 A HN 0.653 nan 8.150 nan 0.000 0.450 243 P HA -0.119 nan 4.420 nan 0.000 0.218 243 P C 1.450 179.112 177.300 0.603 0.000 1.148 243 P CA 0.817 64.197 63.100 0.468 0.000 0.822 243 P CB -0.164 31.688 31.700 0.254 0.000 0.784 244 L N -0.894 120.613 121.223 0.473 0.000 2.042 244 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 244 L C 2.679 179.655 176.870 0.176 0.000 1.076 244 L CA 1.722 56.721 54.840 0.264 0.000 0.749 244 L CB -0.928 41.239 42.059 0.181 0.000 0.893 244 L HN 0.050 nan 8.230 nan 0.000 0.432 245 Q N -1.144 118.773 119.800 0.194 0.000 2.020 245 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 245 Q C 2.159 178.267 176.000 0.180 0.000 0.982 245 Q CA 2.187 58.082 55.803 0.154 0.000 0.838 245 Q CB -0.433 28.397 28.738 0.152 0.000 0.899 245 Q HN 0.532 nan 8.270 nan 0.000 0.423 246 Y N 1.271 121.679 120.300 0.180 0.000 2.114 246 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 246 Y C 1.948 177.997 175.900 0.248 0.000 1.165 246 Y CA 1.584 59.820 58.100 0.225 0.000 1.148 246 Y CB -0.465 38.182 38.460 0.312 0.000 0.972 246 Y HN 0.126 nan 8.280 nan 0.000 0.504 247 L N 0.946 122.047 121.223 -0.202 0.000 2.217 247 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 247 L C 2.452 179.261 176.870 -0.103 0.000 1.107 247 L CA 1.687 56.349 54.840 -0.297 0.000 0.783 247 L CB -1.160 40.890 42.059 -0.015 0.000 0.919 247 L HN 0.338 nan 8.230 nan 0.000 0.442 248 A N 0.583 123.365 122.820 -0.064 0.000 1.892 248 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 248 A C 0.012 177.564 177.584 -0.054 0.000 1.188 248 A CA 2.124 54.135 52.037 -0.043 0.000 0.631 248 A CB -2.045 16.945 19.000 -0.017 0.000 0.822 248 A HN 0.450 nan 8.150 nan 0.000 0.447 249 P HA -0.064 nan 4.420 nan 0.000 0.219 249 P C 0.966 178.132 177.300 -0.225 0.000 1.150 249 P CA 0.801 63.787 63.100 -0.189 0.000 0.814 249 P CB -0.144 31.206 31.700 -0.582 0.000 0.787 250 F N 0.080 119.924 119.950 -0.177 0.000 2.113 250 F HA -0.169 4.358 4.527 0.000 0.000 0.297 250 F C 2.579 178.337 175.800 -0.069 0.000 1.103 250 F CA 2.011 59.915 58.000 -0.160 0.000 1.248 250 F CB -1.902 36.951 39.000 -0.244 0.000 0.999 250 F HN -0.010 nan 8.300 nan 0.000 0.475 251 T N -1.499 113.125 114.554 0.117 0.000 2.737 251 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 251 T C 2.223 176.969 174.700 0.076 0.000 1.038 251 T CA 1.135 63.275 62.100 0.067 0.000 1.144 251 T CB -0.912 67.962 68.868 0.010 0.000 0.866 251 T HN 0.162 nan 8.240 nan 0.000 0.434 252 A N 2.097 124.961 122.820 0.073 0.000 1.948 252 A HA 0.154 4.474 4.320 -0.000 0.000 0.220 252 A C 2.868 180.524 177.584 0.120 0.000 1.177 252 A CA 2.412 54.499 52.037 0.084 0.000 0.636 252 A CB -1.554 17.488 19.000 0.070 0.000 0.815 252 A HN 0.898 nan 8.150 nan 0.000 0.449 253 A N -0.360 122.558 122.820 0.164 0.000 1.865 253 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 253 A C 2.444 180.122 177.584 0.157 0.000 1.191 253 A CA 2.276 54.422 52.037 0.181 0.000 0.623 253 A CB -1.134 17.986 19.000 0.199 0.000 0.826 253 A HN 0.523 nan 8.150 nan 0.000 0.444 254 S N -0.059 115.723 115.700 0.137 0.000 2.374 254 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 254 S C 1.779 176.473 174.600 0.158 0.000 1.037 254 S CA 1.683 59.960 58.200 0.128 0.000 1.024 254 S CB -0.604 62.652 63.200 0.093 0.000 0.861 254 S HN 0.519 nan 8.310 nan 0.000 0.456 255 I N 1.238 121.898 120.570 0.150 0.000 2.208 255 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 255 I C 2.540 178.871 176.117 0.357 0.000 1.097 255 I CA 1.349 62.760 61.300 0.184 0.000 1.363 255 I CB -0.508 37.572 38.000 0.133 0.000 1.051 255 I HN 0.401 nan 8.210 nan 0.000 0.413 256 G N -0.798 108.196 108.800 0.323 0.000 2.683 256 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.213 256 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.213 256 G C 1.448 176.621 174.900 0.454 0.000 1.142 256 G CA -0.048 45.304 45.100 0.419 0.000 0.793 256 G HN 0.327 nan 8.290 nan 0.000 0.534 257 E N -0.383 119.999 120.200 0.303 0.000 2.153 257 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 257 E C 1.864 178.581 176.600 0.195 0.000 0.988 257 E CA 0.525 57.052 56.400 0.211 0.000 0.811 257 E CB -0.153 29.636 29.700 0.150 0.000 0.746 257 E HN 0.647 nan 8.360 nan 0.000 0.466 258 W N 0.956 122.286 121.300 0.050 0.000 2.317 258 W HA -0.288 4.372 4.660 -0.000 0.000 0.318 258 W C 1.575 178.003 176.519 -0.152 0.000 1.227 258 W CA 1.920 59.193 57.345 -0.121 0.000 1.269 258 W CB -0.598 28.686 29.460 -0.294 0.000 1.155 258 W HN -0.012 nan 8.180 nan 0.000 0.484 259 F N 0.474 120.439 119.950 0.026 0.000 2.065 259 F HA -0.253 4.274 4.527 0.000 0.000 0.298 259 F C 2.802 178.436 175.800 -0.276 0.000 1.112 259 F CA 2.333 60.211 58.000 -0.204 0.000 1.212 259 F CB -1.404 37.667 39.000 0.119 0.000 0.975 259 F HN -0.146 nan 8.300 nan 0.000 0.476 260 R N 0.612 121.156 120.500 0.073 0.000 2.117 260 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 260 R C 1.297 177.521 176.300 -0.127 0.000 1.143 260 R CA 2.183 58.271 56.100 -0.020 0.000 0.968 260 R CB -0.451 29.875 30.300 0.043 0.000 0.863 260 R HN 0.224 nan 8.270 nan 0.000 0.444 261 D N -0.379 119.905 120.400 -0.192 0.000 2.323 261 D HA -0.005 4.635 4.640 -0.000 0.000 0.209 261 D C 0.274 176.370 176.300 -0.340 0.000 0.973 261 D CA 0.691 54.560 54.000 -0.218 0.000 0.874 261 D CB 0.036 40.737 40.800 -0.166 0.000 0.930 261 D HN 0.281 nan 8.370 nan 0.000 0.521 262 N N 0.214 118.576 118.700 -0.563 0.000 2.458 262 N HA 0.192 4.932 4.740 -0.000 0.000 0.274 262 N C 0.557 175.808 175.510 -0.432 0.000 1.242 262 N CA 0.009 52.688 53.050 -0.618 0.000 0.904 262 N CB 1.353 39.125 38.487 -1.191 0.000 1.206 262 N HN 0.030 nan 8.380 nan 0.000 0.510 263 G N 1.418 110.038 108.800 -0.300 0.000 2.225 263 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 263 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 263 G C 0.085 174.810 174.900 -0.291 0.000 1.024 263 G CA 0.762 45.720 45.100 -0.237 0.000 0.784 263 G HN 0.355 nan 8.290 nan 0.000 0.507 264 K N -0.920 119.302 120.400 -0.298 0.000 2.331 264 K HA 0.652 4.972 4.320 -0.000 0.000 0.238 264 K C -0.501 175.915 176.600 -0.306 0.000 1.058 264 K CA -1.066 55.084 56.287 -0.228 0.000 0.871 264 K CB 1.159 33.745 32.500 0.143 0.000 1.292 264 K HN 0.263 nan 8.250 nan 0.000 0.470 265 H N 0.009 119.184 119.070 0.174 0.000 2.587 265 H HA 0.459 5.015 4.556 0.000 0.000 0.325 265 H C -0.992 174.377 175.328 0.069 0.000 1.012 265 H CA -0.650 55.434 56.048 0.061 0.000 1.213 265 H CB 1.630 31.354 29.762 -0.063 0.000 1.431 265 H HN 0.645 nan 8.280 nan 0.000 0.492 266 A N 3.472 126.374 122.820 0.138 0.000 2.340 266 A HA 0.576 4.896 4.320 -0.000 0.000 0.331 266 A C -0.951 176.625 177.584 -0.015 0.000 1.140 266 A CA -0.708 51.333 52.037 0.007 0.000 0.801 266 A CB 1.498 20.488 19.000 -0.016 0.000 1.234 266 A HN 0.520 nan 8.150 nan 0.000 0.469 267 L N 2.106 123.296 121.223 -0.055 0.000 2.356 267 L HA 0.781 5.121 4.340 -0.000 0.000 0.277 267 L C -1.049 175.764 176.870 -0.094 0.000 0.996 267 L CA -0.397 54.404 54.840 -0.064 0.000 0.822 267 L CB 1.353 43.380 42.059 -0.054 0.000 1.256 267 L HN 0.684 nan 8.230 nan 0.000 0.413 268 I N 5.223 125.696 120.570 -0.162 0.000 2.436 268 I HA 0.547 4.717 4.170 -0.000 0.000 0.289 268 I C -1.258 174.590 176.117 -0.449 0.000 1.010 268 I CA -0.694 60.418 61.300 -0.313 0.000 1.098 268 I CB 1.844 39.591 38.000 -0.421 0.000 1.266 268 I HN 0.376 nan 8.210 nan 0.000 0.434 269 V N 8.040 127.718 119.914 -0.393 0.000 2.350 269 V HA 0.274 4.394 4.120 -0.000 0.000 0.276 269 V C -0.987 174.778 176.094 -0.549 0.000 1.028 269 V CA -0.431 61.647 62.300 -0.370 0.000 0.860 269 V CB 0.845 32.603 31.823 -0.108 0.000 0.990 269 V HN 0.479 nan 8.190 nan 0.000 0.453 270 Y N 2.557 122.738 120.300 -0.198 0.000 2.594 270 Y HA 0.449 4.999 4.550 0.000 0.000 0.342 270 Y C 0.316 176.079 175.900 -0.229 0.000 1.010 270 Y CA -1.151 56.810 58.100 -0.232 0.000 1.270 270 Y CB 0.491 38.822 38.460 -0.214 0.000 1.125 270 Y HN 0.571 nan 8.280 nan 0.000 0.513 271 D N 3.383 123.666 120.400 -0.195 0.000 2.458 271 D HA 0.208 4.848 4.640 -0.000 0.000 0.258 271 D C -1.314 174.915 176.300 -0.117 0.000 1.134 271 D CA -0.481 53.409 54.000 -0.183 0.000 0.915 271 D CB 0.210 40.815 40.800 -0.324 0.000 1.028 271 D HN 0.649 nan 8.370 nan 0.000 0.508 272 D N 0.414 120.786 120.400 -0.047 0.000 2.547 272 D HA 0.233 4.873 4.640 -0.000 0.000 0.231 272 D C 1.034 177.322 176.300 -0.019 0.000 1.099 272 D CA -0.771 53.209 54.000 -0.034 0.000 0.901 272 D CB 1.262 42.049 40.800 -0.022 0.000 1.478 272 D HN 0.066 nan 8.370 nan 0.000 0.471 273 L N 0.453 121.641 121.223 -0.059 0.000 2.362 273 L HA -0.075 4.265 4.340 -0.000 0.000 0.219 273 L C 1.887 178.785 176.870 0.047 0.000 1.134 273 L CA 0.596 55.389 54.840 -0.078 0.000 0.807 273 L CB -0.378 41.428 42.059 -0.422 0.000 0.927 273 L HN 0.475 nan 8.230 nan 0.000 0.447 274 S N 0.147 115.861 115.700 0.023 0.000 2.348 274 S HA -0.159 4.311 4.470 -0.000 0.000 0.221 274 S C 1.961 176.643 174.600 0.137 0.000 1.033 274 S CA 1.312 59.562 58.200 0.083 0.000 1.010 274 S CB 0.027 63.259 63.200 0.054 0.000 0.891 274 S HN 0.387 nan 8.310 nan 0.000 0.442 275 K N 0.895 121.355 120.400 0.101 0.000 2.148 275 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 275 K C 2.404 179.087 176.600 0.139 0.000 1.050 275 K CA 0.867 57.219 56.287 0.108 0.000 0.942 275 K CB -0.149 32.394 32.500 0.071 0.000 0.724 275 K HN 0.343 nan 8.250 nan 0.000 0.446 276 Q N 0.780 120.663 119.800 0.138 0.000 2.119 276 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 276 Q C 2.038 178.186 176.000 0.247 0.000 0.972 276 Q CA 1.422 57.325 55.803 0.167 0.000 0.847 276 Q CB -0.027 28.770 28.738 0.099 0.000 0.903 276 Q HN 0.312 nan 8.270 nan 0.000 0.433 277 A N 0.090 123.075 122.820 0.275 0.000 1.933 277 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 277 A C 2.209 180.067 177.584 0.456 0.000 1.175 277 A CA 1.490 53.714 52.037 0.313 0.000 0.628 277 A CB -0.623 18.536 19.000 0.265 0.000 0.814 277 A HN 0.281 nan 8.150 nan 0.000 0.444 278 V N -0.209 119.919 119.914 0.357 0.000 2.490 278 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 278 V C 2.972 179.158 176.094 0.153 0.000 1.061 278 V CA 1.788 64.227 62.300 0.232 0.000 1.064 278 V CB -1.194 30.728 31.823 0.166 0.000 0.670 278 V HN 0.612 nan 8.190 nan 0.000 0.461 279 A N -0.752 122.183 122.820 0.191 0.000 1.873 279 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 279 A C 2.172 179.869 177.584 0.189 0.000 1.186 279 A CA 1.783 53.926 52.037 0.178 0.000 0.616 279 A CB -0.772 18.358 19.000 0.218 0.000 0.823 279 A HN 0.583 nan 8.150 nan 0.000 0.442 280 Y N 0.406 120.794 120.300 0.146 0.000 2.333 280 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 280 Y C 2.456 178.371 175.900 0.026 0.000 1.144 280 Y CA 1.889 60.029 58.100 0.067 0.000 1.228 280 Y CB -0.267 38.270 38.460 0.128 0.000 0.985 280 Y HN 0.320 nan 8.280 nan 0.000 0.542 281 R N 0.118 120.632 120.500 0.022 0.000 2.073 281 R HA -0.199 4.141 4.340 -0.000 0.000 0.229 281 R C 2.428 178.629 176.300 -0.166 0.000 1.120 281 R CA 1.575 57.606 56.100 -0.114 0.000 0.967 281 R CB -0.319 29.869 30.300 -0.186 0.000 0.862 281 R HN 0.534 nan 8.270 nan 0.000 0.436 282 Q N 0.703 120.442 119.800 -0.102 0.000 2.014 282 Q HA -0.234 4.106 4.340 -0.000 0.000 0.207 282 Q C 2.172 178.092 176.000 -0.134 0.000 0.993 282 Q CA 1.991 57.739 55.803 -0.091 0.000 0.850 282 Q CB -0.258 28.459 28.738 -0.036 0.000 0.916 282 Q HN 0.453 nan 8.270 nan 0.000 0.417 283 L N 0.163 121.286 121.223 -0.168 0.000 1.963 283 L HA -0.274 4.066 4.340 -0.000 0.000 0.220 283 L C 2.560 179.252 176.870 -0.297 0.000 1.076 283 L CA 1.979 56.678 54.840 -0.236 0.000 0.772 283 L CB -0.588 41.282 42.059 -0.315 0.000 0.892 283 L HN 0.358 nan 8.230 nan 0.000 0.435 284 S N -0.140 115.290 115.700 -0.451 0.000 2.369 284 S HA -0.259 4.211 4.470 -0.000 0.000 0.225 284 S C 1.846 176.321 174.600 -0.208 0.000 1.043 284 S CA 1.786 59.755 58.200 -0.384 0.000 1.074 284 S CB -0.483 62.452 63.200 -0.442 0.000 0.962 284 S HN 0.336 nan 8.310 nan 0.000 0.433 285 L N 0.787 121.905 121.223 -0.174 0.000 2.079 285 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 285 L C 2.171 178.981 176.870 -0.100 0.000 1.081 285 L CA 1.027 55.795 54.840 -0.119 0.000 0.752 285 L CB -0.452 41.539 42.059 -0.113 0.000 0.896 285 L HN 0.311 nan 8.230 nan 0.000 0.433 286 L N -0.944 120.213 121.223 -0.110 0.000 2.240 286 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 286 L C 2.028 178.847 176.870 -0.085 0.000 1.106 286 L CA 0.613 55.400 54.840 -0.088 0.000 0.793 286 L CB -0.131 41.877 42.059 -0.086 0.000 0.927 286 L HN 0.259 nan 8.230 nan 0.000 0.446 287 L N -0.316 120.844 121.223 -0.105 0.000 2.627 287 L HA 0.062 4.402 4.340 -0.000 0.000 0.233 287 L C 0.815 177.643 176.870 -0.069 0.000 1.144 287 L CA 0.172 54.959 54.840 -0.090 0.000 0.892 287 L CB -0.163 41.829 42.059 -0.112 0.000 1.039 287 L HN 0.267 nan 8.230 nan 0.000 0.442 288 R N -0.323 120.137 120.500 -0.066 0.000 3.951 288 R HA -0.160 4.180 4.340 -0.000 0.000 0.352 288 R C -0.045 176.229 176.300 -0.043 0.000 1.178 288 R CA 0.554 56.624 56.100 -0.049 0.000 0.949 288 R CB -1.547 28.732 30.300 -0.037 0.000 1.452 288 R HN 0.416 nan 8.270 nan 0.000 0.540 289 R N 1.495 121.962 120.500 -0.055 0.000 2.491 289 R HA 0.182 4.522 4.340 -0.000 0.000 0.283 289 R C -2.079 174.202 176.300 -0.030 0.000 1.072 289 R CA -1.522 54.555 56.100 -0.038 0.000 1.048 289 R CB 0.200 30.472 30.300 -0.047 0.000 0.983 289 R HN -0.104 nan 8.270 nan 0.000 0.450 290 P HA 0.042 nan 4.420 nan 0.000 0.268 290 P C -2.329 174.972 177.300 0.001 0.000 1.205 290 P CA -1.020 62.076 63.100 -0.007 0.000 0.771 290 P CB 0.053 31.755 31.700 0.003 0.000 0.858 291 P HA 0.145 nan 4.420 nan 0.000 0.282 291 P C 0.214 177.520 177.300 0.010 0.000 1.274 291 P CA 0.238 63.336 63.100 -0.003 0.000 0.770 291 P CB 1.072 32.756 31.700 -0.026 0.000 0.867 292 G N 3.678 112.501 108.800 0.039 0.000 3.227 292 G HA2 0.230 4.190 3.960 -0.000 0.000 0.171 292 G HA3 0.230 4.190 3.960 -0.000 0.000 0.171 292 G C -0.318 174.564 174.900 -0.029 0.000 1.463 292 G CA -0.687 44.420 45.100 0.011 0.000 1.016 292 G HN 0.485 nan 8.290 nan 0.000 0.594 293 R N 0.785 121.197 120.500 -0.146 0.000 2.458 293 R HA 0.158 4.498 4.340 -0.000 0.000 0.303 293 R C -0.007 176.265 176.300 -0.047 0.000 1.013 293 R CA 0.679 56.607 56.100 -0.287 0.000 1.026 293 R CB -0.298 29.485 30.300 -0.861 0.000 0.948 293 R HN 0.661 nan 8.270 nan 0.000 0.417 294 E N 2.933 123.152 120.200 0.032 0.000 2.586 294 E HA -0.331 4.019 4.350 -0.000 0.000 0.259 294 E C 0.199 176.855 176.600 0.094 0.000 1.107 294 E CA 0.490 56.980 56.400 0.150 0.000 0.754 294 E CB -1.167 28.735 29.700 0.337 0.000 1.335 294 E HN 0.904 nan 8.360 nan 0.000 0.411 295 A N -2.429 120.409 122.820 0.030 0.000 2.979 295 A HA -0.302 4.018 4.320 -0.000 0.000 0.260 295 A C 0.022 177.564 177.584 -0.070 0.000 1.282 295 A CA 1.724 53.733 52.037 -0.046 0.000 0.971 295 A CB -2.073 16.863 19.000 -0.107 0.000 1.124 295 A HN 0.445 nan 8.150 nan 0.000 0.826 296 Y N 0.536 120.892 120.300 0.093 0.000 2.300 296 Y HA 0.465 5.015 4.550 0.000 0.000 0.328 296 Y C -1.291 174.687 175.900 0.130 0.000 1.270 296 Y CA -1.301 56.892 58.100 0.154 0.000 1.352 296 Y CB 0.443 39.092 38.460 0.314 0.000 1.286 296 Y HN 0.219 nan 8.280 nan 0.000 0.536 297 P HA -0.013 nan 4.420 nan 0.000 0.270 297 P C 0.482 177.950 177.300 0.280 0.000 1.223 297 P CA 0.200 63.428 63.100 0.213 0.000 0.785 297 P CB 0.756 32.560 31.700 0.173 0.000 0.923 298 G N 1.288 110.211 108.800 0.206 0.000 2.470 298 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 298 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 298 G C 0.855 175.908 174.900 0.256 0.000 1.121 298 G CA 0.620 45.844 45.100 0.207 0.000 0.766 298 G HN 0.677 nan 8.290 nan 0.000 0.553 299 D N 0.202 120.771 120.400 0.282 0.000 2.368 299 D HA 0.062 4.702 4.640 -0.000 0.000 0.218 299 D C 1.910 178.382 176.300 0.286 0.000 1.112 299 D CA -0.212 53.971 54.000 0.305 0.000 0.834 299 D CB 0.169 41.152 40.800 0.305 0.000 0.953 299 D HN 0.119 nan 8.370 nan 0.000 0.505 300 V N 0.261 120.350 119.914 0.292 0.000 2.594 300 V HA -0.185 3.935 4.120 -0.000 0.000 0.253 300 V C 1.874 177.952 176.094 -0.027 0.000 1.069 300 V CA 1.385 63.767 62.300 0.135 0.000 1.082 300 V CB -0.881 31.056 31.823 0.190 0.000 0.680 300 V HN 0.244 nan 8.190 nan 0.000 0.469 301 F N 0.241 120.176 119.950 -0.026 0.000 2.075 301 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 301 F C 2.164 177.996 175.800 0.053 0.000 1.113 301 F CA 2.335 60.322 58.000 -0.020 0.000 1.218 301 F CB -0.916 38.101 39.000 0.029 0.000 0.984 301 F HN 0.338 nan 8.300 nan 0.000 0.472 302 Y N 0.871 121.038 120.300 -0.220 0.000 2.207 302 Y HA -0.236 4.314 4.550 -0.000 0.000 0.287 302 Y C 2.232 177.972 175.900 -0.266 0.000 1.156 302 Y CA 1.727 59.651 58.100 -0.293 0.000 1.182 302 Y CB -0.999 37.435 38.460 -0.043 0.000 0.979 302 Y HN 0.288 nan 8.280 nan 0.000 0.521 303 L N -0.209 120.821 121.223 -0.322 0.000 1.978 303 L HA -0.324 4.016 4.340 -0.000 0.000 0.218 303 L C 2.330 179.022 176.870 -0.298 0.000 1.075 303 L CA 2.631 57.241 54.840 -0.384 0.000 0.767 303 L CB -0.882 40.843 42.059 -0.558 0.000 0.890 303 L HN 0.352 nan 8.230 nan 0.000 0.434 304 H N -1.293 117.595 119.070 -0.304 0.000 2.357 304 H HA -0.105 4.451 4.556 0.000 0.000 0.301 304 H C 2.465 177.567 175.328 -0.377 0.000 1.082 304 H CA 1.189 57.025 56.048 -0.353 0.000 1.342 304 H CB -0.114 29.474 29.762 -0.290 0.000 1.389 304 H HN 0.598 nan 8.280 nan 0.000 0.511 305 S N 1.654 117.116 115.700 -0.396 0.000 2.359 305 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 305 S C 2.059 176.525 174.600 -0.222 0.000 1.035 305 S CA 1.509 59.462 58.200 -0.411 0.000 1.018 305 S CB -0.374 62.360 63.200 -0.776 0.000 0.876 305 S HN 0.595 nan 8.310 nan 0.000 0.448 306 R N 0.674 121.020 120.500 -0.258 0.000 2.280 306 R HA 0.200 4.540 4.340 -0.000 0.000 0.207 306 R C 2.187 178.469 176.300 -0.029 0.000 1.043 306 R CA 0.955 56.960 56.100 -0.157 0.000 1.006 306 R CB -0.538 29.550 30.300 -0.353 0.000 0.885 306 R HN 0.485 nan 8.270 nan 0.000 0.467 307 L N 0.652 121.836 121.223 -0.065 0.000 2.127 307 L HA 0.110 4.450 4.340 -0.000 0.000 0.203 307 L C 1.895 178.671 176.870 -0.157 0.000 1.080 307 L CA 1.298 56.027 54.840 -0.186 0.000 0.768 307 L CB 0.015 41.676 42.059 -0.664 0.000 0.924 307 L HN 0.175 nan 8.230 nan 0.000 0.444 308 L N -0.998 120.144 121.223 -0.135 0.000 2.209 308 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 308 L C 2.378 179.248 176.870 -0.001 0.000 1.094 308 L CA 0.314 55.125 54.840 -0.048 0.000 0.790 308 L CB -0.588 41.433 42.059 -0.062 0.000 0.932 308 L HN 0.218 nan 8.230 nan 0.000 0.447 309 E N 0.912 121.105 120.200 -0.012 0.000 2.267 309 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 309 E C 2.082 178.700 176.600 0.031 0.000 0.998 309 E CA 1.011 57.419 56.400 0.015 0.000 0.830 309 E CB -0.015 29.694 29.700 0.016 0.000 0.751 309 E HN 0.499 nan 8.360 nan 0.000 0.491 310 R N 0.187 120.710 120.500 0.038 0.000 2.236 310 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 310 R C 0.865 177.204 176.300 0.064 0.000 1.036 310 R CA 0.428 56.561 56.100 0.056 0.000 1.001 310 R CB 0.177 30.521 30.300 0.074 0.000 0.896 310 R HN -0.093 nan 8.270 nan 0.000 0.464 311 A N 1.413 124.271 122.820 0.064 0.000 2.415 311 A HA 0.625 4.945 4.320 -0.000 0.000 0.309 311 A C -0.252 177.356 177.584 0.041 0.000 1.356 311 A CA -0.224 51.848 52.037 0.058 0.000 0.998 311 A CB 0.231 19.268 19.000 0.062 0.000 1.145 311 A HN 0.278 nan 8.150 nan 0.000 0.545 312 A N 2.507 125.350 122.820 0.039 0.000 2.530 312 A HA 0.844 5.164 4.320 -0.000 0.000 0.288 312 A C -0.556 177.047 177.584 0.031 0.000 1.172 312 A CA -0.819 51.238 52.037 0.032 0.000 0.733 312 A CB 1.168 20.188 19.000 0.033 0.000 1.320 312 A HN 0.682 nan 8.150 nan 0.000 0.419 313 K N 0.925 121.343 120.400 0.030 0.000 2.265 313 K HA 0.646 4.966 4.320 -0.000 0.000 0.267 313 K C -1.248 175.375 176.600 0.039 0.000 0.994 313 K CA -0.178 56.130 56.287 0.035 0.000 0.860 313 K CB 0.344 32.860 32.500 0.027 0.000 1.099 313 K HN 0.570 nan 8.250 nan 0.000 0.448 314 L N 3.030 124.275 121.223 0.036 0.000 2.421 314 L HA 0.379 4.719 4.340 -0.000 0.000 0.263 314 L C 0.603 177.495 176.870 0.036 0.000 1.122 314 L CA -0.856 54.000 54.840 0.026 0.000 0.804 314 L CB 1.421 43.482 42.059 0.004 0.000 1.150 314 L HN 0.879 nan 8.230 nan 0.000 0.457 315 S N -0.302 115.414 115.700 0.026 0.000 2.608 315 S HA 0.034 4.504 4.470 -0.000 0.000 0.261 315 S C 0.818 175.429 174.600 0.019 0.000 1.314 315 S CA -0.478 57.737 58.200 0.026 0.000 0.992 315 S CB 1.163 64.372 63.200 0.016 0.000 0.935 315 S HN 0.737 nan 8.310 nan 0.000 0.564 316 E N 0.495 120.706 120.200 0.017 0.000 2.110 316 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 316 E C 1.833 178.433 176.600 -0.001 0.000 0.988 316 E CA 0.862 57.269 56.400 0.011 0.000 0.804 316 E CB -0.132 29.572 29.700 0.008 0.000 0.745 316 E HN 0.690 nan 8.360 nan 0.000 0.458 317 K N 0.366 120.765 120.400 -0.002 0.000 2.209 317 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 317 K C 1.257 177.849 176.600 -0.013 0.000 1.048 317 K CA 0.913 57.196 56.287 -0.007 0.000 0.940 317 K CB 0.216 32.713 32.500 -0.005 0.000 0.729 317 K HN 0.038 nan 8.250 nan 0.000 0.451 318 E N -1.064 119.128 120.200 -0.013 0.000 2.479 318 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 318 E C 0.973 177.549 176.600 -0.041 0.000 1.049 318 E CA 0.626 57.011 56.400 -0.024 0.000 0.870 318 E CB 1.011 30.701 29.700 -0.017 0.000 0.944 318 E HN 0.532 nan 8.360 nan 0.000 0.492 319 G N 0.738 109.516 108.800 -0.036 0.000 2.195 319 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.224 319 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.224 319 G C 0.631 175.502 174.900 -0.049 0.000 0.990 319 G CA 0.271 45.339 45.100 -0.053 0.000 0.639 319 G HN 0.125 nan 8.290 nan 0.000 0.514 320 S N -1.378 114.308 115.700 -0.024 0.000 3.018 320 S HA -0.135 4.335 4.470 -0.000 0.000 0.274 320 S C 1.648 176.237 174.600 -0.019 0.000 1.300 320 S CA 1.387 59.594 58.200 0.012 0.000 1.179 320 S CB -1.485 61.745 63.200 0.050 0.000 1.427 320 S HN 2.226 nan 8.310 nan 0.000 0.668 321 G N 1.313 110.055 108.800 -0.096 0.000 2.664 321 G HA2 0.490 4.450 3.960 -0.000 0.000 0.242 321 G HA3 0.490 4.450 3.960 -0.000 0.000 0.242 321 G C -0.053 174.837 174.900 -0.017 0.000 1.225 321 G CA 0.511 45.519 45.100 -0.153 0.000 0.849 321 G HN 1.335 nan 8.290 nan 0.000 0.581 322 S N -0.565 115.159 115.700 0.039 0.000 2.533 322 S HA 0.537 5.007 4.470 -0.000 0.000 0.271 322 S C -1.416 173.237 174.600 0.089 0.000 1.143 322 S CA -0.899 57.357 58.200 0.092 0.000 0.891 322 S CB 1.941 65.223 63.200 0.136 0.000 1.105 322 S HN 0.718 nan 8.310 nan 0.000 0.468 323 L N 2.208 123.469 121.223 0.062 0.000 2.313 323 L HA 0.746 5.086 4.340 -0.000 0.000 0.283 323 L C -0.601 176.284 176.870 0.026 0.000 1.013 323 L CA 0.154 55.027 54.840 0.054 0.000 0.816 323 L CB 1.484 43.584 42.059 0.068 0.000 1.236 323 L HN 0.973 nan 8.230 nan 0.000 0.419 324 T N 4.866 119.419 114.554 -0.001 0.000 2.791 324 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 324 T C -0.222 174.450 174.700 -0.047 0.000 0.999 324 T CA -0.379 61.706 62.100 -0.025 0.000 0.952 324 T CB 1.139 69.978 68.868 -0.047 0.000 0.938 324 T HN 0.777 nan 8.240 nan 0.000 0.444 325 A N 3.948 126.751 122.820 -0.029 0.000 2.289 325 A HA 0.674 4.994 4.320 -0.000 0.000 0.298 325 A C -0.023 177.530 177.584 -0.051 0.000 1.208 325 A CA -0.556 51.450 52.037 -0.052 0.000 0.845 325 A CB 0.140 19.185 19.000 0.074 0.000 1.125 325 A HN 0.905 nan 8.150 nan 0.000 0.517 326 L N 5.508 126.669 121.223 -0.102 0.000 2.504 326 L HA 0.298 4.638 4.340 -0.000 0.000 0.249 326 L C -2.149 174.685 176.870 -0.061 0.000 1.120 326 L CA -1.732 53.069 54.840 -0.064 0.000 0.997 326 L CB 1.254 43.279 42.059 -0.057 0.000 1.349 326 L HN 0.521 nan 8.230 nan 0.000 0.439 327 P HA 0.193 nan 4.420 nan 0.000 0.282 327 P C -0.651 176.640 177.300 -0.015 0.000 1.249 327 P CA -0.234 62.894 63.100 0.047 0.000 0.806 327 P CB 2.166 33.909 31.700 0.072 0.000 0.984 328 V N 4.229 124.126 119.914 -0.028 0.000 2.459 328 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 328 V C 0.425 176.486 176.094 -0.054 0.000 1.029 328 V CA -0.599 61.679 62.300 -0.036 0.000 0.874 328 V CB 1.631 33.436 31.823 -0.030 0.000 0.985 328 V HN 0.435 nan 8.190 nan 0.000 0.438 329 I N 3.174 123.718 120.570 -0.044 0.000 2.646 329 I HA 0.509 4.679 4.170 -0.000 0.000 0.299 329 I C -0.127 175.986 176.117 -0.007 0.000 1.036 329 I CA -0.501 60.776 61.300 -0.038 0.000 1.074 329 I CB 2.335 40.304 38.000 -0.052 0.000 1.258 329 I HN 0.727 nan 8.210 nan 0.000 0.430 330 E N 3.276 123.480 120.200 0.007 0.000 2.151 330 E HA 0.407 4.757 4.350 -0.000 0.000 0.275 330 E C -0.674 175.952 176.600 0.043 0.000 0.936 330 E CA -0.439 55.970 56.400 0.016 0.000 0.777 330 E CB 1.475 31.184 29.700 0.015 0.000 1.108 330 E HN 0.712 nan 8.360 nan 0.000 0.401 331 T N 1.587 116.175 114.554 0.057 0.000 2.927 331 T HA 0.373 4.723 4.350 -0.000 0.000 0.281 331 T C -0.177 174.565 174.700 0.069 0.000 0.998 331 T CA -1.020 61.131 62.100 0.085 0.000 1.019 331 T CB 1.491 70.448 68.868 0.148 0.000 1.061 331 T HN 0.291 nan 8.240 nan 0.000 0.518 332 Q N 0.367 120.212 119.800 0.074 0.000 2.333 332 Q HA 0.493 4.833 4.340 -0.000 0.000 0.268 332 Q C 0.835 176.873 176.000 0.063 0.000 1.007 332 Q CA -0.107 55.732 55.803 0.061 0.000 0.810 332 Q CB 1.306 30.081 28.738 0.061 0.000 1.264 332 Q HN 1.331 nan 8.270 nan 0.000 0.452 333 G N 1.714 110.547 108.800 0.054 0.000 2.273 333 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 333 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 333 G C 0.813 175.764 174.900 0.085 0.000 1.047 333 G CA 0.845 45.979 45.100 0.056 0.000 0.869 333 G HN 1.284 nan 8.290 nan 0.000 0.502 334 G N -0.711 108.163 108.800 0.125 0.000 2.233 334 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.270 334 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.270 334 G C 0.307 175.300 174.900 0.154 0.000 1.011 334 G CA 1.050 46.289 45.100 0.232 0.000 0.762 334 G HN 1.339 nan 8.290 nan 0.000 0.511 335 D N 0.293 120.752 120.400 0.098 0.000 2.398 335 D HA 0.326 4.966 4.640 -0.000 0.000 0.250 335 D C 1.837 178.163 176.300 0.043 0.000 1.287 335 D CA 0.393 54.424 54.000 0.051 0.000 0.992 335 D CB 0.516 41.349 40.800 0.055 0.000 1.071 335 D HN 0.564 nan 8.370 nan 0.000 0.514 336 V N 1.143 121.043 119.914 -0.022 0.000 3.380 336 V HA 0.017 4.137 4.120 -0.000 0.000 0.268 336 V C 1.435 177.515 176.094 -0.023 0.000 1.168 336 V CA 0.785 63.059 62.300 -0.044 0.000 1.156 336 V CB -0.054 31.654 31.823 -0.191 0.000 0.785 336 V HN 0.297 nan 8.190 nan 0.000 0.487 337 S N 0.530 116.223 115.700 -0.011 0.000 2.575 337 S HA 0.607 5.077 4.470 -0.000 0.000 0.215 337 S C 1.210 175.836 174.600 0.044 0.000 0.966 337 S CA 0.326 58.530 58.200 0.006 0.000 0.911 337 S CB -0.079 63.119 63.200 -0.004 0.000 0.780 337 S HN 0.915 nan 8.310 nan 0.000 0.514 338 A N 0.480 123.335 122.820 0.060 0.000 2.262 338 A HA 0.396 4.716 4.320 -0.000 0.000 0.273 338 A C 0.885 178.555 177.584 0.145 0.000 1.202 338 A CA -0.017 52.081 52.037 0.102 0.000 0.811 338 A CB -0.249 18.813 19.000 0.103 0.000 1.159 338 A HN 0.358 nan 8.150 nan 0.000 0.505 339 Y N -0.500 119.808 120.300 0.013 0.000 2.176 339 Y HA -0.079 4.471 4.550 0.000 0.000 0.291 339 Y C 1.878 177.757 175.900 -0.035 0.000 1.122 339 Y CA 1.731 59.825 58.100 -0.010 0.000 1.128 339 Y CB -0.092 38.365 38.460 -0.005 0.000 1.005 339 Y HN 0.382 nan 8.280 nan 0.000 0.509 340 I N 0.650 121.105 120.570 -0.191 0.000 2.353 340 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 340 I C -0.643 175.404 176.117 -0.116 0.000 1.119 340 I CA 0.692 61.830 61.300 -0.270 0.000 1.417 340 I CB -2.639 35.227 38.000 -0.224 0.000 1.078 340 I HN 0.164 nan 8.210 nan 0.000 0.421 341 P HA -0.133 nan 4.420 nan 0.000 0.214 341 P C 1.926 179.215 177.300 -0.018 0.000 1.163 341 P CA 2.365 65.455 63.100 -0.016 0.000 0.883 341 P CB -0.254 31.459 31.700 0.021 0.000 0.788 342 T N -3.101 111.447 114.554 -0.010 0.000 2.746 342 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 342 T C 1.763 176.460 174.700 -0.006 0.000 1.039 342 T CA 1.401 63.500 62.100 -0.002 0.000 1.142 342 T CB -1.288 67.593 68.868 0.022 0.000 0.866 342 T HN -0.055 nan 8.240 nan 0.000 0.444 343 N N 1.492 120.162 118.700 -0.049 0.000 2.021 343 N HA -0.097 4.643 4.740 -0.000 0.000 0.198 343 N C 2.009 177.597 175.510 0.130 0.000 1.041 343 N CA 1.650 54.723 53.050 0.039 0.000 0.862 343 N CB -0.923 37.523 38.487 -0.067 0.000 1.048 343 N HN 0.372 nan 8.380 nan 0.000 0.427 344 V N 1.691 121.620 119.914 0.026 0.000 2.453 344 V HA -0.093 4.027 4.120 -0.000 0.000 0.247 344 V C 2.292 178.390 176.094 0.007 0.000 1.048 344 V CA 0.902 63.189 62.300 -0.023 0.000 1.049 344 V CB -0.351 31.377 31.823 -0.158 0.000 0.672 344 V HN 0.258 nan 8.190 nan 0.000 0.457 345 I N 1.263 121.840 120.570 0.011 0.000 2.335 345 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 345 I C 2.493 178.633 176.117 0.039 0.000 1.129 345 I CA 1.921 63.232 61.300 0.018 0.000 1.402 345 I CB -0.379 37.625 38.000 0.007 0.000 1.069 345 I HN 0.506 nan 8.210 nan 0.000 0.424 346 S N 0.180 115.919 115.700 0.065 0.000 2.561 346 S HA 0.083 4.553 4.470 -0.000 0.000 0.225 346 S C 1.595 176.287 174.600 0.154 0.000 0.977 346 S CA 0.251 58.505 58.200 0.090 0.000 0.926 346 S CB -0.228 63.010 63.200 0.064 0.000 0.769 346 S HN 0.434 nan 8.310 nan 0.000 0.533 347 I N 1.456 122.109 120.570 0.138 0.000 2.899 347 I HA 0.072 4.242 4.170 -0.000 0.000 0.257 347 I C 1.597 177.747 176.117 0.056 0.000 1.115 347 I CA 0.612 61.980 61.300 0.114 0.000 1.451 347 I CB -0.602 37.429 38.000 0.053 0.000 1.251 347 I HN 0.333 nan 8.210 nan 0.000 0.456 348 T N -1.516 113.057 114.554 0.032 0.000 2.729 348 T HA 0.114 4.464 4.350 -0.000 0.000 0.298 348 T C 0.234 174.949 174.700 0.025 0.000 1.013 348 T CA -0.355 61.757 62.100 0.020 0.000 0.957 348 T CB 0.580 69.452 68.868 0.007 0.000 1.130 348 T HN 0.032 nan 8.240 nan 0.000 0.526 349 D N 0.551 120.962 120.400 0.019 0.000 2.738 349 D HA 0.440 5.080 4.640 -0.000 0.000 0.246 349 D C 0.898 177.208 176.300 0.018 0.000 1.270 349 D CA 0.271 54.283 54.000 0.019 0.000 0.833 349 D CB -0.187 40.623 40.800 0.015 0.000 1.040 349 D HN 1.002 nan 8.370 nan 0.000 0.487 350 G N 1.055 109.867 108.800 0.020 0.000 2.408 350 G HA2 0.057 4.017 3.960 -0.000 0.000 0.682 350 G HA3 0.057 4.017 3.960 -0.000 0.000 0.682 350 G C -1.489 173.427 174.900 0.026 0.000 1.303 350 G CA -1.052 44.061 45.100 0.022 0.000 0.966 350 G HN 0.142 nan 8.290 nan 0.000 0.560 351 Q N -1.410 118.412 119.800 0.037 0.000 2.418 351 Q HA 0.744 5.084 4.340 -0.000 0.000 0.282 351 Q C -0.601 175.441 176.000 0.070 0.000 1.044 351 Q CA -0.723 55.111 55.803 0.052 0.000 0.813 351 Q CB 2.001 30.779 28.738 0.067 0.000 1.428 351 Q HN 0.768 nan 8.270 nan 0.000 0.402 352 I N 1.840 122.452 120.570 0.071 0.000 2.337 352 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 352 I C -0.947 175.239 176.117 0.115 0.000 1.041 352 I CA -0.670 60.678 61.300 0.081 0.000 1.199 352 I CB 0.385 38.409 38.000 0.040 0.000 1.370 352 I HN 0.518 nan 8.210 nan 0.000 0.470 353 F N 7.806 127.761 119.950 0.009 0.000 2.427 353 F HA 0.475 5.002 4.527 -0.000 0.000 0.352 353 F C -0.592 175.218 175.800 0.017 0.000 1.100 353 F CA -0.353 57.651 58.000 0.008 0.000 1.191 353 F CB 0.576 39.581 39.000 0.009 0.000 1.128 353 F HN 0.219 nan 8.300 nan 0.000 0.533 354 L N 6.345 127.125 121.223 -0.739 0.000 2.298 354 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 354 L C -0.208 176.181 176.870 -0.801 0.000 1.013 354 L CA -0.653 53.857 54.840 -0.550 0.000 0.824 354 L CB 1.424 43.309 42.059 -0.290 0.000 1.221 354 L HN 0.580 nan 8.230 nan 0.000 0.418 355 E N 1.510 121.455 120.200 -0.426 0.000 2.194 355 E HA 0.256 4.606 4.350 -0.000 0.000 0.284 355 E C 0.531 177.106 176.600 -0.043 0.000 1.035 355 E CA -0.144 56.132 56.400 -0.207 0.000 0.836 355 E CB 1.952 31.683 29.700 0.051 0.000 1.070 355 E HN 0.772 nan 8.360 nan 0.000 0.401 356 A N 4.239 127.037 122.820 -0.036 0.000 1.851 356 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 356 A C 1.944 179.632 177.584 0.172 0.000 1.195 356 A CA 2.088 54.160 52.037 0.058 0.000 0.622 356 A CB -0.517 18.494 19.000 0.019 0.000 0.831 356 A HN 0.822 nan 8.150 nan 0.000 0.444 357 E N 0.048 120.332 120.200 0.141 0.000 2.172 357 E HA -0.261 4.089 4.350 -0.000 0.000 0.213 357 E C 1.707 178.424 176.600 0.196 0.000 1.051 357 E CA 2.227 58.729 56.400 0.169 0.000 0.860 357 E CB -0.509 29.268 29.700 0.127 0.000 0.755 357 E HN 0.617 nan 8.360 nan 0.000 0.462 358 L N -1.100 120.218 121.223 0.159 0.000 2.068 358 L HA 0.006 4.346 4.340 -0.000 0.000 0.204 358 L C 2.376 179.332 176.870 0.142 0.000 1.076 358 L CA 0.948 55.864 54.840 0.126 0.000 0.753 358 L CB -0.522 41.599 42.059 0.103 0.000 0.910 358 L HN 0.187 nan 8.230 nan 0.000 0.439 359 F N 0.154 120.125 119.950 0.035 0.000 2.087 359 F HA -0.375 4.152 4.527 0.000 0.000 0.299 359 F C 2.636 178.477 175.800 0.069 0.000 1.100 359 F CA 1.976 59.995 58.000 0.032 0.000 1.226 359 F CB -0.419 38.592 39.000 0.018 0.000 0.983 359 F HN 0.073 nan 8.300 nan 0.000 0.479 360 Y N 1.580 121.986 120.300 0.176 0.000 2.181 360 Y HA -0.193 4.357 4.550 0.000 0.000 0.288 360 Y C 2.434 178.330 175.900 -0.006 0.000 1.146 360 Y CA 2.757 60.906 58.100 0.082 0.000 1.164 360 Y CB -1.162 37.361 38.460 0.104 0.000 0.982 360 Y HN 0.040 nan 8.280 nan 0.000 0.515 361 K N 0.358 120.620 120.400 -0.229 0.000 2.280 361 K HA 0.247 4.567 4.320 -0.000 0.000 0.202 361 K C 1.855 178.296 176.600 -0.264 0.000 1.047 361 K CA 1.390 57.487 56.287 -0.316 0.000 0.942 361 K CB -1.481 30.952 32.500 -0.112 0.000 0.739 361 K HN 0.990 nan 8.250 nan 0.000 0.457 362 G N -0.871 107.785 108.800 -0.240 0.000 2.192 362 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.193 362 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.193 362 G C 0.213 175.006 174.900 -0.180 0.000 0.999 362 G CA -0.060 44.894 45.100 -0.243 0.000 0.659 362 G HN 0.486 nan 8.290 nan 0.000 0.503 363 I N 2.140 122.641 120.570 -0.116 0.000 2.372 363 I HA 0.364 4.534 4.170 -0.000 0.000 0.298 363 I C 0.704 176.792 176.117 -0.047 0.000 1.137 363 I CA 0.225 61.495 61.300 -0.051 0.000 1.314 363 I CB 0.089 38.092 38.000 0.004 0.000 1.444 363 I HN 0.083 nan 8.210 nan 0.000 0.541 364 R N 6.167 126.628 120.500 -0.065 0.000 2.621 364 R HA 0.482 4.822 4.340 -0.000 0.000 0.284 364 R C -2.741 173.557 176.300 -0.002 0.000 0.998 364 R CA -1.960 54.124 56.100 -0.027 0.000 0.895 364 R CB 1.324 31.553 30.300 -0.119 0.000 1.195 364 R HN 0.152 nan 8.270 nan 0.000 0.450 365 P HA -0.021 nan 4.420 nan 0.000 0.265 365 P C -0.410 176.931 177.300 0.070 0.000 1.193 365 P CA 0.097 63.230 63.100 0.056 0.000 0.765 365 P CB 0.740 32.462 31.700 0.036 0.000 0.823 366 A N 4.801 127.691 122.820 0.117 0.000 3.033 366 A HA 0.157 4.477 4.320 -0.000 0.000 0.250 366 A C 0.516 178.125 177.584 0.041 0.000 1.633 366 A CA -0.262 51.839 52.037 0.106 0.000 1.290 366 A CB -1.331 17.794 19.000 0.207 0.000 1.048 366 A HN 0.495 nan 8.150 nan 0.000 0.648 367 I N 1.475 122.074 120.570 0.048 0.000 2.436 367 I HA 0.008 4.178 4.170 -0.000 0.000 0.289 367 I C 0.486 176.658 176.117 0.091 0.000 1.083 367 I CA -0.391 60.942 61.300 0.055 0.000 1.372 367 I CB 0.334 38.371 38.000 0.060 0.000 1.408 367 I HN 0.388 nan 8.210 nan 0.000 0.516 368 N N 6.983 125.767 118.700 0.141 0.000 2.420 368 N HA 0.049 4.789 4.740 -0.000 0.000 0.262 368 N C 0.650 176.253 175.510 0.155 0.000 1.144 368 N CA -0.128 53.038 53.050 0.194 0.000 0.952 368 N CB 1.527 40.240 38.487 0.377 0.000 1.081 368 N HN 0.421 nan 8.380 nan 0.000 0.480 369 V N 2.997 122.977 119.914 0.109 0.000 2.591 369 V HA 0.051 4.171 4.120 -0.000 0.000 0.249 369 V C 2.043 178.178 176.094 0.068 0.000 1.053 369 V CA 1.629 63.981 62.300 0.087 0.000 1.068 369 V CB -0.885 30.988 31.823 0.083 0.000 0.689 369 V HN 0.697 nan 8.190 nan 0.000 0.462 370 G N -0.819 108.014 108.800 0.054 0.000 3.124 370 G HA2 0.240 4.200 3.960 -0.000 0.000 0.212 370 G HA3 0.240 4.200 3.960 -0.000 0.000 0.212 370 G C 0.798 175.705 174.900 0.012 0.000 1.181 370 G CA 0.203 45.319 45.100 0.026 0.000 0.803 370 G HN 0.445 nan 8.290 nan 0.000 0.529 371 L N -0.307 120.937 121.223 0.035 0.000 3.515 371 L HA 0.355 4.695 4.340 -0.000 0.000 0.322 371 L C 0.383 177.288 176.870 0.058 0.000 1.225 371 L CA 0.275 55.110 54.840 -0.008 0.000 1.104 371 L CB 1.080 43.076 42.059 -0.105 0.000 1.506 371 L HN -0.068 nan 8.230 nan 0.000 0.624 372 S N -0.435 115.319 115.700 0.091 0.000 2.454 372 S HA 0.780 5.250 4.470 -0.000 0.000 0.306 372 S C -0.911 173.724 174.600 0.058 0.000 1.100 372 S CA -0.447 57.809 58.200 0.093 0.000 1.087 372 S CB 2.549 65.813 63.200 0.106 0.000 1.019 372 S HN -0.104 nan 8.310 nan 0.000 0.480 373 V N 2.677 122.619 119.914 0.047 0.000 2.932 373 V HA 0.730 4.850 4.120 -0.000 0.000 0.307 373 V C -0.839 175.274 176.094 0.031 0.000 1.147 373 V CA -0.479 61.842 62.300 0.035 0.000 0.951 373 V CB 2.475 34.314 31.823 0.026 0.000 1.031 373 V HN 0.785 nan 8.190 nan 0.000 0.426 374 S N 5.341 121.057 115.700 0.026 0.000 2.433 374 S HA 0.534 5.004 4.470 -0.000 0.000 0.310 374 S C 0.757 175.368 174.600 0.017 0.000 1.097 374 S CA -0.546 57.665 58.200 0.019 0.000 1.103 374 S CB 1.260 64.469 63.200 0.015 0.000 0.992 374 S HN 0.792 nan 8.310 nan 0.000 0.469 375 R N 2.504 123.014 120.500 0.016 0.000 2.055 375 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 375 R C 1.690 177.999 176.300 0.015 0.000 1.135 375 R CA 1.553 57.662 56.100 0.016 0.000 0.959 375 R CB -0.394 29.916 30.300 0.017 0.000 0.854 375 R HN 0.660 nan 8.270 nan 0.000 0.431 376 V N -2.618 117.303 119.914 0.012 0.000 3.578 376 V HA 0.367 4.487 4.120 -0.000 0.000 0.290 376 V C 1.392 177.490 176.094 0.006 0.000 1.376 376 V CA 0.760 63.067 62.300 0.012 0.000 1.083 376 V CB 0.601 32.432 31.823 0.013 0.000 0.911 376 V HN 0.284 nan 8.190 nan 0.000 0.433 377 G N 0.789 109.591 108.800 0.003 0.000 2.494 377 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 377 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 377 G C 1.483 176.382 174.900 -0.001 0.000 1.140 377 G CA 0.938 46.034 45.100 -0.006 0.000 0.801 377 G HN 0.526 nan 8.290 nan 0.000 0.536 378 S N 1.320 117.024 115.700 0.008 0.000 2.407 378 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 378 S C 2.493 177.100 174.600 0.012 0.000 1.036 378 S CA 1.168 59.375 58.200 0.012 0.000 1.013 378 S CB -0.246 62.963 63.200 0.016 0.000 0.820 378 S HN 0.554 nan 8.310 nan 0.000 0.476 379 A N 0.046 122.875 122.820 0.014 0.000 2.235 379 A HA 0.560 4.880 4.320 -0.000 0.000 0.208 379 A C 1.706 179.304 177.584 0.023 0.000 1.172 379 A CA 0.886 52.936 52.037 0.022 0.000 0.786 379 A CB -0.288 18.729 19.000 0.029 0.000 0.804 379 A HN 0.488 nan 8.150 nan 0.000 0.479 380 A N -1.404 121.417 122.820 0.001 0.000 2.508 380 A HA 0.336 4.656 4.320 -0.000 0.000 0.250 380 A C 0.715 178.278 177.584 -0.035 0.000 1.208 380 A CA -0.118 51.904 52.037 -0.025 0.000 0.960 380 A CB -0.105 18.862 19.000 -0.055 0.000 1.099 380 A HN 0.484 nan 8.150 nan 0.000 0.542 381 Q N 0.676 120.467 119.800 -0.016 0.000 2.364 381 Q HA 0.365 4.705 4.340 -0.000 0.000 0.267 381 Q C -0.541 175.452 176.000 -0.012 0.000 0.999 381 Q CA -0.115 55.681 55.803 -0.013 0.000 0.886 381 Q CB 0.852 29.591 28.738 0.002 0.000 1.243 381 Q HN 0.239 nan 8.270 nan 0.000 0.415 382 V N 5.328 125.235 119.914 -0.013 0.000 2.529 382 V HA -0.074 4.046 4.120 -0.000 0.000 0.292 382 V C 1.193 177.290 176.094 0.005 0.000 1.028 382 V CA 0.223 62.519 62.300 -0.006 0.000 1.074 382 V CB 0.756 32.579 31.823 0.000 0.000 0.958 382 V HN 0.898 nan 8.190 nan 0.000 0.481 383 K N 3.858 124.261 120.400 0.006 0.000 2.089 383 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 383 K C 2.229 178.837 176.600 0.014 0.000 1.048 383 K CA 1.665 57.958 56.287 0.010 0.000 0.926 383 K CB -0.356 32.149 32.500 0.008 0.000 0.714 383 K HN 0.832 nan 8.250 nan 0.000 0.448 384 A N 1.695 124.522 122.820 0.011 0.000 1.903 384 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 384 A C 2.203 179.802 177.584 0.025 0.000 1.191 384 A CA 1.596 53.640 52.037 0.011 0.000 0.638 384 A CB -0.775 18.227 19.000 0.003 0.000 0.823 384 A HN 0.211 nan 8.150 nan 0.000 0.451 385 L N -1.166 120.073 121.223 0.027 0.000 2.027 385 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 385 L C 2.660 179.552 176.870 0.037 0.000 1.074 385 L CA 1.953 56.815 54.840 0.036 0.000 0.745 385 L CB -0.346 41.731 42.059 0.030 0.000 0.898 385 L HN 0.450 nan 8.230 nan 0.000 0.433 386 K N -0.277 120.141 120.400 0.029 0.000 2.103 386 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 386 K C 2.108 178.729 176.600 0.034 0.000 1.048 386 K CA 1.536 57.840 56.287 0.028 0.000 0.930 386 K CB 0.025 32.538 32.500 0.021 0.000 0.716 386 K HN 0.359 nan 8.250 nan 0.000 0.444 387 Q N -0.428 119.395 119.800 0.037 0.000 2.167 387 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 387 Q C 1.802 177.846 176.000 0.074 0.000 0.970 387 Q CA 1.484 57.315 55.803 0.047 0.000 0.855 387 Q CB 0.317 29.079 28.738 0.040 0.000 0.911 387 Q HN 0.359 nan 8.270 nan 0.000 0.438 388 V N -4.822 115.144 119.914 0.086 0.000 3.578 388 V HA 0.460 4.580 4.120 -0.000 0.000 0.290 388 V C 1.058 177.188 176.094 0.061 0.000 1.376 388 V CA 0.653 63.025 62.300 0.121 0.000 1.083 388 V CB 0.667 32.614 31.823 0.207 0.000 0.911 388 V HN 0.129 nan 8.190 nan 0.000 0.433 389 A N 0.443 123.290 122.820 0.044 0.000 2.508 389 A HA 0.662 4.982 4.320 -0.000 0.000 0.250 389 A C 1.355 178.956 177.584 0.027 0.000 1.208 389 A CA 0.390 52.446 52.037 0.031 0.000 0.960 389 A CB -0.350 18.673 19.000 0.038 0.000 1.099 389 A HN 0.793 nan 8.150 nan 0.000 0.542 390 G N -0.402 108.414 108.800 0.025 0.000 2.224 390 G HA2 0.363 4.323 3.960 -0.000 0.000 0.239 390 G HA3 0.363 4.323 3.960 -0.000 0.000 0.239 390 G C 0.811 175.725 174.900 0.023 0.000 1.240 390 G CA 0.790 45.905 45.100 0.025 0.000 0.896 390 G HN 0.903 nan 8.290 nan 0.000 0.496 391 S N 0.437 116.161 115.700 0.040 0.000 2.981 391 S HA -0.268 4.202 4.470 -0.000 0.000 0.274 391 S C 1.703 176.362 174.600 0.099 0.000 1.297 391 S CA 1.088 59.326 58.200 0.064 0.000 1.266 391 S CB -1.237 61.995 63.200 0.053 0.000 1.542 391 S HN 0.955 nan 8.310 nan 0.000 0.674 392 L N 1.971 123.237 121.223 0.072 0.000 2.042 392 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 392 L C 2.099 179.063 176.870 0.158 0.000 1.076 392 L CA 2.922 57.823 54.840 0.102 0.000 0.749 392 L CB -0.544 41.548 42.059 0.056 0.000 0.893 392 L HN 0.374 nan 8.230 nan 0.000 0.432 393 K N -0.307 120.160 120.400 0.112 0.000 1.991 393 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 393 K C 2.163 178.830 176.600 0.112 0.000 1.049 393 K CA 2.191 58.539 56.287 0.102 0.000 0.932 393 K CB -0.754 31.790 32.500 0.072 0.000 0.717 393 K HN 0.399 nan 8.250 nan 0.000 0.441 394 L N -0.048 121.241 121.223 0.110 0.000 2.079 394 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 394 L C 2.239 179.189 176.870 0.134 0.000 1.081 394 L CA 1.455 56.356 54.840 0.103 0.000 0.752 394 L CB -0.311 41.805 42.059 0.095 0.000 0.896 394 L HN 0.321 nan 8.230 nan 0.000 0.433 395 F N -0.272 119.704 119.950 0.043 0.000 2.234 395 F HA -0.185 4.342 4.527 0.000 0.000 0.299 395 F C 1.972 177.837 175.800 0.108 0.000 1.087 395 F CA 1.367 59.399 58.000 0.054 0.000 1.340 395 F CB -0.024 38.988 39.000 0.020 0.000 1.031 395 F HN -0.067 nan 8.300 nan 0.000 0.500 396 L N -0.272 121.013 121.223 0.102 0.000 2.156 396 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 396 L C 2.751 179.646 176.870 0.041 0.000 1.095 396 L CA 0.977 55.877 54.840 0.099 0.000 0.770 396 L CB -0.995 41.168 42.059 0.173 0.000 0.914 396 L HN 0.208 nan 8.230 nan 0.000 0.439 397 A N -0.632 122.197 122.820 0.016 0.000 1.898 397 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 397 A C 2.218 179.763 177.584 -0.066 0.000 1.181 397 A CA 1.319 53.348 52.037 -0.013 0.000 0.620 397 A CB -0.356 18.649 19.000 0.009 0.000 0.819 397 A HN 0.441 nan 8.150 nan 0.000 0.442 398 Q N -2.123 117.626 119.800 -0.086 0.000 2.297 398 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 398 Q C 1.867 177.760 176.000 -0.178 0.000 0.962 398 Q CA 1.374 57.110 55.803 -0.112 0.000 0.879 398 Q CB -0.200 28.493 28.738 -0.075 0.000 0.947 398 Q HN 0.909 nan 8.270 nan 0.000 0.462 399 Y N 0.851 120.904 120.300 -0.413 0.000 2.184 399 Y HA -0.072 4.478 4.550 0.000 0.000 0.290 399 Y C 2.003 177.776 175.900 -0.212 0.000 1.129 399 Y CA 1.230 59.072 58.100 -0.431 0.000 1.144 399 Y CB -0.160 37.899 38.460 -0.669 0.000 0.995 399 Y HN -0.179 nan 8.280 nan 0.000 0.513 400 R N 0.661 120.759 120.500 -0.670 0.000 2.159 400 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 400 R C 2.173 178.263 176.300 -0.350 0.000 1.131 400 R CA 1.619 57.350 56.100 -0.614 0.000 0.982 400 R CB -0.244 29.864 30.300 -0.321 0.000 0.868 400 R HN 0.592 nan 8.270 nan 0.000 0.453 401 E N -0.144 119.914 120.200 -0.237 0.000 2.021 401 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 401 E C 2.018 178.529 176.600 -0.148 0.000 1.015 401 E CA 2.020 58.330 56.400 -0.151 0.000 0.824 401 E CB -0.064 29.573 29.700 -0.105 0.000 0.762 401 E HN 0.127 nan 8.360 nan 0.000 0.454 402 V N 1.459 121.281 119.914 -0.152 0.000 2.287 402 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 402 V C 2.437 178.457 176.094 -0.123 0.000 1.053 402 V CA 1.866 64.106 62.300 -0.100 0.000 1.027 402 V CB -1.172 30.626 31.823 -0.042 0.000 0.646 402 V HN 0.323 nan 8.190 nan 0.000 0.447 403 A N 0.541 123.213 122.820 -0.246 0.000 1.884 403 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 403 A C 2.459 179.957 177.584 -0.144 0.000 1.197 403 A CA 3.073 54.967 52.037 -0.239 0.000 0.637 403 A CB -1.100 17.605 19.000 -0.490 0.000 0.827 403 A HN 0.674 nan 8.150 nan 0.000 0.450 404 A N -1.635 121.095 122.820 -0.151 0.000 1.873 404 A HA 0.188 4.508 4.320 -0.000 0.000 0.215 404 A C 2.149 179.695 177.584 -0.063 0.000 1.186 404 A CA 1.886 53.868 52.037 -0.092 0.000 0.616 404 A CB -1.145 17.803 19.000 -0.088 0.000 0.823 404 A HN 1.309 nan 8.150 nan 0.000 0.442 405 F N -0.684 119.227 119.950 -0.065 0.000 2.703 405 F HA 0.541 5.068 4.527 -0.000 0.000 0.299 405 F C 1.697 177.477 175.800 -0.033 0.000 1.229 405 F CA 0.901 58.875 58.000 -0.043 0.000 1.430 405 F CB -1.343 37.633 39.000 -0.040 0.000 1.053 405 F HN 0.577 nan 8.300 nan 0.000 0.513 406 A N -1.897 120.902 122.820 -0.035 0.000 2.009 406 A HA 0.377 4.697 4.320 -0.000 0.000 0.197 406 A C 1.085 178.660 177.584 -0.014 0.000 1.471 406 A CA 0.281 52.306 52.037 -0.019 0.000 0.973 406 A CB 0.309 19.300 19.000 -0.014 0.000 1.020 406 A HN 0.417 nan 8.150 nan 0.000 0.476 411 D N 0.357 120.758 120.400 0.001 0.000 2.419 411 D HA 0.686 5.326 4.640 -0.000 0.000 0.234 411 D C -1.358 174.944 176.300 0.004 0.000 1.014 411 D CA -0.379 53.622 54.000 0.002 0.000 0.919 411 D CB 1.505 42.306 40.800 0.002 0.000 1.366 411 D HN 0.358 nan 8.370 nan 0.000 0.490 412 L N 2.573 123.799 121.223 0.005 0.000 2.287 412 L HA 0.374 4.714 4.340 -0.000 0.000 0.280 412 L C 0.261 177.136 176.870 0.008 0.000 1.055 412 L CA -0.706 54.138 54.840 0.007 0.000 0.863 412 L CB 0.930 42.993 42.059 0.006 0.000 1.245 412 L HN 0.353 nan 8.230 nan 0.000 0.432 413 D N 1.565 121.971 120.400 0.010 0.000 2.447 413 D HA 0.517 5.157 4.640 -0.000 0.000 0.265 413 D C 0.738 177.044 176.300 0.011 0.000 1.250 413 D CA 0.414 54.420 54.000 0.010 0.000 1.046 413 D CB 1.440 42.248 40.800 0.012 0.000 1.095 413 D HN 0.406 nan 8.370 nan 0.000 0.555 414 A N -0.452 122.375 122.820 0.011 0.000 1.944 414 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 414 A C 1.998 179.589 177.584 0.013 0.000 1.328 414 A CA 1.092 53.134 52.037 0.009 0.000 0.693 414 A CB -0.871 18.132 19.000 0.006 0.000 0.994 414 A HN 0.508 nan 8.150 nan 0.000 0.485 415 S N 0.355 116.064 115.700 0.016 0.000 2.387 415 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 415 S C 1.950 176.571 174.600 0.035 0.000 1.026 415 S CA 1.925 60.138 58.200 0.022 0.000 0.972 415 S CB -1.319 61.894 63.200 0.022 0.000 0.814 415 S HN 0.741 nan 8.310 nan 0.000 0.477 416 T N -0.181 114.395 114.554 0.036 0.000 2.995 416 T HA 0.103 4.453 4.350 -0.000 0.000 0.269 416 T C 1.598 176.329 174.700 0.052 0.000 1.091 416 T CA 1.026 63.156 62.100 0.049 0.000 1.128 416 T CB -0.425 68.466 68.868 0.037 0.000 0.891 416 T HN 0.463 nan 8.240 nan 0.000 0.492 417 K N 0.721 121.143 120.400 0.036 0.000 2.209 417 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 417 K C 2.472 179.090 176.600 0.031 0.000 1.048 417 K CA 1.274 57.580 56.287 0.031 0.000 0.940 417 K CB -0.105 32.406 32.500 0.018 0.000 0.729 417 K HN 0.512 nan 8.250 nan 0.000 0.451 418 Q N -0.608 119.211 119.800 0.032 0.000 2.204 418 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 418 Q C 1.881 177.913 176.000 0.053 0.000 0.946 418 Q CA 1.419 57.236 55.803 0.024 0.000 0.859 418 Q CB 0.260 29.004 28.738 0.009 0.000 0.946 418 Q HN 0.398 nan 8.270 nan 0.000 0.474 419 T N -0.881 113.731 114.554 0.098 0.000 2.951 419 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 419 T C 1.680 176.480 174.700 0.166 0.000 1.073 419 T CA 0.590 62.806 62.100 0.193 0.000 1.134 419 T CB -0.062 68.942 68.868 0.226 0.000 0.884 419 T HN 0.202 nan 8.240 nan 0.000 0.479 420 L N 0.948 122.250 121.223 0.131 0.000 2.156 420 L HA 0.208 4.548 4.340 -0.000 0.000 0.208 420 L C 2.662 179.568 176.870 0.060 0.000 1.095 420 L CA 0.987 55.926 54.840 0.165 0.000 0.770 420 L CB -0.589 41.558 42.059 0.146 0.000 0.914 420 L HN 0.178 nan 8.230 nan 0.000 0.439 421 V N -0.752 119.178 119.914 0.026 0.000 2.358 421 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 421 V C 2.707 178.764 176.094 -0.061 0.000 1.047 421 V CA 1.392 63.683 62.300 -0.015 0.000 1.035 421 V CB -0.522 31.292 31.823 -0.016 0.000 0.658 421 V HN 0.385 nan 8.190 nan 0.000 0.452 422 R N 0.022 120.497 120.500 -0.041 0.000 2.148 422 R HA -0.083 4.257 4.340 -0.000 0.000 0.227 422 R C 2.295 178.541 176.300 -0.090 0.000 1.103 422 R CA 1.282 57.349 56.100 -0.056 0.000 0.983 422 R CB -0.792 29.495 30.300 -0.022 0.000 0.874 422 R HN 0.599 nan 8.270 nan 0.000 0.451 423 G N 1.052 109.646 108.800 -0.342 0.000 2.484 423 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 423 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 423 G C 1.141 175.652 174.900 -0.649 0.000 1.219 423 G CA 0.494 44.870 45.100 -1.208 0.000 0.791 423 G HN 0.339 nan 8.290 nan 0.000 0.550 424 E N 0.061 120.057 120.200 -0.339 0.000 2.160 424 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 424 E C 2.803 179.361 176.600 -0.071 0.000 0.991 424 E CA 0.539 56.894 56.400 -0.076 0.000 0.810 424 E CB 0.033 29.736 29.700 0.006 0.000 0.742 424 E HN 0.119 nan 8.360 nan 0.000 0.466 425 R N 0.566 121.004 120.500 -0.103 0.000 2.064 425 R HA -0.064 4.276 4.340 -0.000 0.000 0.228 425 R C 2.478 178.729 176.300 -0.082 0.000 1.144 425 R CA 0.994 57.037 56.100 -0.096 0.000 0.932 425 R CB -1.087 29.139 30.300 -0.125 0.000 0.833 425 R HN 0.232 nan 8.270 nan 0.000 0.429 426 L N 0.392 121.564 121.223 -0.084 0.000 2.042 426 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 426 L C 2.464 179.330 176.870 -0.007 0.000 1.076 426 L CA 1.654 56.469 54.840 -0.042 0.000 0.749 426 L CB -0.743 41.311 42.059 -0.008 0.000 0.893 426 L HN 0.235 nan 8.230 nan 0.000 0.432 427 T N -1.350 113.198 114.554 -0.010 0.000 2.652 427 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 427 T C 1.943 176.659 174.700 0.027 0.000 1.039 427 T CA 1.176 63.300 62.100 0.040 0.000 1.153 427 T CB -0.149 68.775 68.868 0.092 0.000 0.863 427 T HN 0.257 nan 8.240 nan 0.000 0.428 428 Q N 0.332 120.138 119.800 0.009 0.000 2.112 428 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 428 Q C 2.375 178.384 176.000 0.015 0.000 0.987 428 Q CA 1.199 57.007 55.803 0.009 0.000 0.858 428 Q CB -0.737 28.000 28.738 -0.002 0.000 0.905 428 Q HN 0.385 nan 8.270 nan 0.000 0.420 429 L N 0.152 121.378 121.223 0.006 0.000 2.093 429 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 429 L C 2.015 178.907 176.870 0.036 0.000 1.085 429 L CA 1.435 56.287 54.840 0.020 0.000 0.755 429 L CB -0.430 41.628 42.059 -0.002 0.000 0.904 429 L HN 0.163 nan 8.230 nan 0.000 0.435 430 L N -0.827 120.416 121.223 0.033 0.000 2.552 430 L HA -0.035 4.305 4.340 -0.000 0.000 0.227 430 L C 0.974 177.865 176.870 0.034 0.000 1.146 430 L CA 0.015 54.878 54.840 0.039 0.000 0.858 430 L CB -0.411 41.675 42.059 0.045 0.000 0.969 430 L HN 0.124 nan 8.230 nan 0.000 0.451 431 K N 0.969 121.386 120.400 0.028 0.000 2.469 431 K HA 0.075 4.395 4.320 -0.000 0.000 0.274 431 K C -0.052 176.561 176.600 0.021 0.000 0.983 431 K CA 0.574 56.871 56.287 0.017 0.000 0.974 431 K CB 0.420 32.925 32.500 0.008 0.000 0.913 431 K HN -0.007 nan 8.250 nan 0.000 0.493 432 Q N 1.900 121.707 119.800 0.011 0.000 2.284 432 Q HA 0.197 4.537 4.340 -0.000 0.000 0.269 432 Q C -1.387 174.615 176.000 0.003 0.000 1.026 432 Q CA -0.847 54.965 55.803 0.015 0.000 0.831 432 Q CB 1.312 30.059 28.738 0.015 0.000 1.322 432 Q HN 0.466 nan 8.270 nan 0.000 0.419 433 N N 2.386 121.097 118.700 0.018 0.000 2.454 433 N HA -0.015 4.725 4.740 -0.000 0.000 0.254 433 N C -0.713 174.802 175.510 0.009 0.000 1.228 433 N CA 0.294 53.358 53.050 0.024 0.000 0.900 433 N CB 0.690 39.208 38.487 0.052 0.000 1.089 433 N HN 0.537 nan 8.380 nan 0.000 0.449 434 Q N 1.213 121.003 119.800 -0.018 0.000 2.392 434 Q HA -0.032 4.308 4.340 -0.000 0.000 0.262 434 Q C -0.327 175.652 176.000 -0.035 0.000 1.003 434 Q CA 0.127 55.828 55.803 -0.171 0.000 0.888 434 Q CB 0.239 28.791 28.738 -0.310 0.000 1.260 434 Q HN 0.641 nan 8.270 nan 0.000 0.435 435 Y N -0.502 119.808 120.300 0.018 0.000 4.490 435 Y HA -0.251 4.299 4.550 -0.000 0.000 0.233 435 Y C -0.198 175.744 175.900 0.070 0.000 1.101 435 Y CA 0.775 58.891 58.100 0.027 0.000 2.010 435 Y CB -2.069 36.432 38.460 0.069 0.000 1.622 435 Y HN 0.349 nan 8.280 nan 0.000 0.675 436 S N 0.492 116.269 115.700 0.128 0.000 2.080 436 S HA 0.404 4.874 4.470 -0.000 0.000 0.162 436 S C -2.586 172.051 174.600 0.062 0.000 1.618 436 S CA -1.038 57.222 58.200 0.100 0.000 1.200 436 S CB 0.997 64.246 63.200 0.081 0.000 1.135 436 S HN -0.021 nan 8.310 nan 0.000 0.455 437 P HA 0.355 nan 4.420 nan 0.000 0.282 437 P C -0.696 176.624 177.300 0.033 0.000 1.262 437 P CA -0.394 62.735 63.100 0.048 0.000 0.773 437 P CB 0.638 32.374 31.700 0.060 0.000 0.879 438 L N 2.154 123.394 121.223 0.029 0.000 2.325 438 L HA 0.629 4.969 4.340 -0.000 0.000 0.279 438 L C 0.851 177.730 176.870 0.015 0.000 1.054 438 L CA -1.073 53.775 54.840 0.013 0.000 0.804 438 L CB 1.268 43.336 42.059 0.015 0.000 1.200 438 L HN 0.356 nan 8.230 nan 0.000 0.436 439 A N 1.657 124.469 122.820 -0.013 0.000 2.386 439 A HA 0.259 4.579 4.320 -0.000 0.000 0.248 439 A C 1.234 178.829 177.584 0.018 0.000 1.082 439 A CA -0.198 51.835 52.037 -0.007 0.000 0.789 439 A CB 0.358 19.318 19.000 -0.066 0.000 1.025 439 A HN 0.885 nan 8.150 nan 0.000 0.490 440 T N 0.956 115.544 114.554 0.057 0.000 2.737 440 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 440 T C 1.758 176.467 174.700 0.014 0.000 1.040 440 T CA 1.904 64.033 62.100 0.048 0.000 1.142 440 T CB -0.200 68.710 68.868 0.070 0.000 0.861 440 T HN 0.894 nan 8.240 nan 0.000 0.456 441 E N 1.738 121.935 120.200 -0.004 0.000 2.268 441 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 441 E C 1.537 178.100 176.600 -0.061 0.000 0.995 441 E CA 1.139 57.518 56.400 -0.035 0.000 0.836 441 E CB -0.244 29.429 29.700 -0.045 0.000 0.763 441 E HN 0.593 nan 8.360 nan 0.000 0.491 442 E N 0.403 120.571 120.200 -0.054 0.000 2.230 442 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 442 E C 2.146 178.728 176.600 -0.031 0.000 0.987 442 E CA 0.452 56.811 56.400 -0.068 0.000 0.841 442 E CB 0.127 29.792 29.700 -0.058 0.000 0.783 442 E HN 0.356 nan 8.360 nan 0.000 0.481 443 Q N 0.197 119.997 119.800 -0.001 0.000 2.123 443 Q HA -0.083 4.257 4.340 -0.000 0.000 0.196 443 Q C 2.542 178.570 176.000 0.047 0.000 0.958 443 Q CA 1.296 57.117 55.803 0.029 0.000 0.841 443 Q CB 0.211 28.970 28.738 0.035 0.000 0.915 443 Q HN 0.270 nan 8.270 nan 0.000 0.455 444 V N -1.128 118.807 119.914 0.035 0.000 2.515 444 V HA -0.045 4.075 4.120 -0.000 0.000 0.250 444 V C -1.138 175.013 176.094 0.094 0.000 1.058 444 V CA 0.893 63.226 62.300 0.056 0.000 1.064 444 V CB -1.582 30.259 31.823 0.030 0.000 0.675 444 V HN 0.134 nan 8.190 nan 0.000 0.461 445 P HA -0.097 nan 4.420 nan 0.000 0.214 445 P C 2.204 179.691 177.300 0.312 0.000 1.163 445 P CA 1.676 64.865 63.100 0.148 0.000 0.883 445 P CB -0.117 31.571 31.700 -0.021 0.000 0.788 446 L N -1.221 120.151 121.223 0.248 0.000 1.990 446 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 446 L C 2.493 179.466 176.870 0.173 0.000 1.072 446 L CA 1.713 56.714 54.840 0.268 0.000 0.755 446 L CB -0.846 41.323 42.059 0.183 0.000 0.889 446 L HN -0.063 nan 8.230 nan 0.000 0.432 447 I N -1.905 118.744 120.570 0.131 0.000 2.315 447 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 447 I C 2.463 178.628 176.117 0.081 0.000 1.117 447 I CA 1.023 62.373 61.300 0.083 0.000 1.404 447 I CB -0.247 37.795 38.000 0.071 0.000 1.071 447 I HN 0.185 nan 8.210 nan 0.000 0.419 448 Y N 1.693 122.000 120.300 0.012 0.000 2.081 448 Y HA -0.372 4.178 4.550 -0.000 0.000 0.280 448 Y C 2.549 178.415 175.900 -0.057 0.000 1.163 448 Y CA 1.714 59.806 58.100 -0.015 0.000 1.135 448 Y CB -0.501 37.954 38.460 -0.008 0.000 0.970 448 Y HN 0.149 nan 8.280 nan 0.000 0.498 449 A N -0.033 122.803 122.820 0.026 0.000 1.892 449 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 449 A C 2.491 179.979 177.584 -0.159 0.000 1.188 449 A CA 2.121 54.058 52.037 -0.168 0.000 0.631 449 A CB -1.749 17.204 19.000 -0.078 0.000 0.822 449 A HN 0.619 nan 8.150 nan 0.000 0.447 450 G N -0.997 107.726 108.800 -0.130 0.000 2.394 450 G HA2 -0.041 3.920 3.960 -0.000 0.000 0.215 450 G HA3 -0.041 3.920 3.960 -0.000 0.000 0.215 450 G C 1.491 176.289 174.900 -0.169 0.000 1.165 450 G CA 1.094 46.104 45.100 -0.151 0.000 0.784 450 G HN 0.329 nan 8.290 nan 0.000 0.535 451 V N 1.778 121.586 119.914 -0.177 0.000 2.490 451 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 451 V C 2.024 177.965 176.094 -0.255 0.000 1.061 451 V CA 1.625 63.790 62.300 -0.225 0.000 1.064 451 V CB -0.332 31.379 31.823 -0.187 0.000 0.670 451 V HN 0.371 nan 8.190 nan 0.000 0.461 452 N N -0.075 118.478 118.700 -0.245 0.000 2.336 452 N HA 0.126 4.866 4.740 -0.000 0.000 0.189 452 N C 1.485 176.904 175.510 -0.152 0.000 1.113 452 N CA 0.973 53.902 53.050 -0.202 0.000 0.858 452 N CB 0.983 39.316 38.487 -0.257 0.000 0.970 452 N HN 0.570 nan 8.380 nan 0.000 0.471 453 G N 0.766 109.479 108.800 -0.145 0.000 2.141 453 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 453 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 453 G C 0.656 175.434 174.900 -0.202 0.000 0.982 453 G CA 0.074 45.062 45.100 -0.187 0.000 0.662 453 G HN 0.525 nan 8.290 nan 0.000 0.527 454 H N -0.144 118.787 119.070 -0.232 0.000 2.518 454 H HA 0.073 4.629 4.556 -0.000 0.000 0.289 454 H C 2.345 177.488 175.328 -0.308 0.000 1.051 454 H CA 1.254 57.163 56.048 -0.231 0.000 1.280 454 H CB 0.204 29.835 29.762 -0.218 0.000 1.380 454 H HN 0.478 nan 8.280 nan 0.000 0.566 455 L N 0.190 121.267 121.223 -0.244 0.000 2.607 455 L HA 0.013 4.353 4.340 -0.000 0.000 0.228 455 L C 1.255 177.998 176.870 -0.211 0.000 1.123 455 L CA -0.103 54.529 54.840 -0.346 0.000 0.890 455 L CB 0.116 41.918 42.059 -0.429 0.000 1.103 455 L HN -0.009 nan 8.230 nan 0.000 0.468 456 D N 1.285 121.585 120.400 -0.167 0.000 2.178 456 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 456 D C 2.147 178.391 176.300 -0.093 0.000 0.980 456 D CA 1.454 55.381 54.000 -0.122 0.000 0.842 456 D CB -0.165 40.564 40.800 -0.118 0.000 0.948 456 D HN 0.303 nan 8.370 nan 0.000 0.472 457 G N -0.296 108.448 108.800 -0.093 0.000 2.848 457 G HA2 0.106 4.066 3.960 -0.000 0.000 0.208 457 G HA3 0.106 4.066 3.960 -0.000 0.000 0.208 457 G C 0.559 175.444 174.900 -0.025 0.000 1.152 457 G CA -0.085 44.982 45.100 -0.055 0.000 0.789 457 G HN 0.207 nan 8.290 nan 0.000 0.531 458 I N 0.646 121.192 120.570 -0.039 0.000 2.412 458 I HA 0.262 4.432 4.170 -0.000 0.000 0.296 458 I C -0.316 175.807 176.117 0.010 0.000 0.987 458 I CA -0.959 60.351 61.300 0.016 0.000 1.180 458 I CB 1.902 39.905 38.000 0.005 0.000 1.340 458 I HN 0.043 nan 8.210 nan 0.000 0.455 459 E N 3.973 124.199 120.200 0.043 0.000 2.415 459 E HA -0.014 4.336 4.350 -0.000 0.000 0.262 459 E C 0.455 177.074 176.600 0.032 0.000 1.038 459 E CA -0.525 55.893 56.400 0.031 0.000 0.921 459 E CB 0.669 30.392 29.700 0.037 0.000 0.950 459 E HN 0.401 nan 8.360 nan 0.000 0.438 460 L N 2.315 123.548 121.223 0.017 0.000 2.079 460 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 460 L C 2.244 179.134 176.870 0.034 0.000 1.081 460 L CA 2.095 56.944 54.840 0.015 0.000 0.752 460 L CB -1.091 40.973 42.059 0.009 0.000 0.896 460 L HN 0.674 nan 8.230 nan 0.000 0.433 461 S N -1.448 114.275 115.700 0.039 0.000 2.515 461 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 461 S C 2.101 176.751 174.600 0.082 0.000 0.987 461 S CA 0.767 58.996 58.200 0.048 0.000 0.936 461 S CB -0.509 62.711 63.200 0.033 0.000 0.766 461 S HN 0.461 nan 8.310 nan 0.000 0.528 462 R N 1.068 121.637 120.500 0.114 0.000 2.290 462 R HA 0.476 4.816 4.340 -0.000 0.000 0.197 462 R C 1.878 178.345 176.300 0.278 0.000 0.913 462 R CA 0.581 56.805 56.100 0.206 0.000 1.040 462 R CB -1.139 29.309 30.300 0.247 0.000 0.992 462 R HN 0.491 nan 8.270 nan 0.000 0.500 463 I N 1.374 122.043 120.570 0.165 0.000 2.248 463 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 463 I C 2.633 178.871 176.117 0.202 0.000 1.107 463 I CA 1.926 63.305 61.300 0.132 0.000 1.373 463 I CB -1.364 36.654 38.000 0.029 0.000 1.055 463 I HN 0.423 nan 8.210 nan 0.000 0.418 464 G N 0.300 109.198 108.800 0.164 0.000 2.453 464 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 464 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 464 G C 1.595 176.617 174.900 0.203 0.000 1.201 464 G CA 0.602 45.793 45.100 0.151 0.000 0.784 464 G HN 0.399 nan 8.290 nan 0.000 0.545 465 E N -0.306 120.040 120.200 0.243 0.000 2.118 465 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 465 E C 2.077 178.941 176.600 0.439 0.000 0.992 465 E CA 0.726 57.307 56.400 0.302 0.000 0.804 465 E CB -0.223 29.650 29.700 0.289 0.000 0.741 465 E HN 0.397 nan 8.360 nan 0.000 0.458 466 F N 2.150 122.298 119.950 0.330 0.000 2.025 466 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 466 F C 2.423 178.279 175.800 0.094 0.000 1.132 466 F CA 2.471 60.520 58.000 0.081 0.000 1.191 466 F CB -0.573 38.330 39.000 -0.161 0.000 0.963 466 F HN 0.051 nan 8.300 nan 0.000 0.481 467 E N 0.045 120.452 120.200 0.345 0.000 2.136 467 E HA -0.330 4.020 4.350 -0.000 0.000 0.208 467 E C 2.026 178.648 176.600 0.036 0.000 1.035 467 E CA 2.501 59.036 56.400 0.225 0.000 0.838 467 E CB -0.393 29.431 29.700 0.207 0.000 0.748 467 E HN 0.565 nan 8.360 nan 0.000 0.459 468 S N -0.731 114.999 115.700 0.050 0.000 2.470 468 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 468 S C 2.086 176.676 174.600 -0.015 0.000 1.006 468 S CA 0.653 58.861 58.200 0.013 0.000 0.934 468 S CB 0.305 63.534 63.200 0.048 0.000 0.778 468 S HN 0.137 nan 8.310 nan 0.000 0.517 469 S N 1.523 117.239 115.700 0.027 0.000 2.387 469 S HA 0.104 4.574 4.470 -0.000 0.000 0.226 469 S C 1.327 175.757 174.600 -0.284 0.000 1.026 469 S CA 0.798 59.064 58.200 0.111 0.000 0.972 469 S CB -0.486 63.037 63.200 0.538 0.000 0.814 469 S HN 0.550 nan 8.310 nan 0.000 0.477 470 F N 2.699 122.041 119.950 -1.013 0.000 2.113 470 F HA 0.074 4.601 4.527 -0.000 0.000 0.297 470 F C 1.739 177.156 175.800 -0.638 0.000 1.103 470 F CA 0.925 57.992 58.000 -1.555 0.000 1.248 470 F CB -0.721 37.388 39.000 -1.485 0.000 0.999 470 F HN 0.083 nan 8.300 nan 0.000 0.475 471 L N -1.081 119.865 121.223 -0.462 0.000 2.083 471 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 471 L C 2.625 179.343 176.870 -0.253 0.000 1.083 471 L CA 1.300 55.906 54.840 -0.390 0.000 0.752 471 L CB -1.116 40.808 42.059 -0.226 0.000 0.899 471 L HN 0.103 nan 8.230 nan 0.000 0.433 472 S N -0.731 114.874 115.700 -0.158 0.000 2.359 472 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 472 S C 1.954 176.522 174.600 -0.053 0.000 1.035 472 S CA 1.540 59.696 58.200 -0.072 0.000 1.018 472 S CB -0.345 62.856 63.200 0.002 0.000 0.876 472 S HN 0.514 nan 8.310 nan 0.000 0.448 473 Y N 1.460 121.655 120.300 -0.174 0.000 2.274 473 Y HA -0.026 4.524 4.550 -0.000 0.000 0.290 473 Y C 1.820 177.662 175.900 -0.096 0.000 1.145 473 Y CA 1.300 59.353 58.100 -0.079 0.000 1.203 473 Y CB -0.226 38.230 38.460 -0.006 0.000 0.984 473 Y HN 0.185 nan 8.280 nan 0.000 0.533 474 L N 0.600 121.683 121.223 -0.233 0.000 2.072 474 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 474 L C 2.788 179.519 176.870 -0.233 0.000 1.079 474 L CA 1.637 56.309 54.840 -0.279 0.000 0.752 474 L CB -0.783 41.007 42.059 -0.448 0.000 0.906 474 L HN 0.264 nan 8.230 nan 0.000 0.436 475 K N -0.257 120.017 120.400 -0.209 0.000 2.515 475 K HA -0.084 4.236 4.320 -0.000 0.000 0.196 475 K C 1.880 178.390 176.600 -0.150 0.000 1.038 475 K CA 1.469 57.660 56.287 -0.160 0.000 0.967 475 K CB -0.617 31.803 32.500 -0.134 0.000 0.780 475 K HN 0.622 nan 8.250 nan 0.000 0.483 476 S N -1.644 113.945 115.700 -0.186 0.000 2.613 476 S HA 0.043 4.513 4.470 -0.000 0.000 0.235 476 S C 1.677 176.128 174.600 -0.248 0.000 1.073 476 S CA 0.555 58.649 58.200 -0.176 0.000 0.899 476 S CB -0.005 63.116 63.200 -0.132 0.000 0.818 476 S HN 0.618 nan 8.310 nan 0.000 0.484 477 N N 0.952 119.412 118.700 -0.400 0.000 2.349 477 N HA 0.148 4.888 4.740 -0.000 0.000 0.180 477 N C 0.534 175.674 175.510 -0.617 0.000 1.024 477 N CA 0.741 53.443 53.050 -0.579 0.000 0.869 477 N CB 0.039 37.957 38.487 -0.947 0.000 1.022 477 N HN 0.377 nan 8.380 nan 0.000 0.433 478 H N -0.335 118.562 119.070 -0.289 0.000 2.490 478 H HA 0.214 4.770 4.556 -0.000 0.000 0.285 478 H C 0.196 175.428 175.328 -0.160 0.000 1.127 478 H CA -0.092 55.846 56.048 -0.184 0.000 0.993 478 H CB 0.101 29.771 29.762 -0.153 0.000 1.653 478 H HN 0.193 nan 8.280 nan 0.000 0.557 479 N N 1.250 119.893 118.700 -0.095 0.000 2.635 479 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 479 N C 1.397 176.869 175.510 -0.064 0.000 1.155 479 N CA 0.722 53.719 53.050 -0.088 0.000 0.927 479 N CB 0.330 38.756 38.487 -0.102 0.000 0.976 479 N HN 0.498 nan 8.380 nan 0.000 0.448 480 E N -0.721 119.451 120.200 -0.046 0.000 2.140 480 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 480 E C 1.689 178.273 176.600 -0.027 0.000 0.973 480 E CA 0.442 56.822 56.400 -0.034 0.000 0.829 480 E CB 0.086 29.769 29.700 -0.029 0.000 0.781 480 E HN 0.373 nan 8.360 nan 0.000 0.466 481 L N 0.829 122.044 121.223 -0.014 0.000 2.017 481 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 481 L C 2.503 179.340 176.870 -0.055 0.000 1.073 481 L CA 1.046 55.867 54.840 -0.032 0.000 0.745 481 L CB -0.759 41.278 42.059 -0.037 0.000 0.894 481 L HN 0.157 nan 8.230 nan 0.000 0.432 482 L N -0.331 120.853 121.223 -0.066 0.000 2.012 482 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 482 L C 2.729 179.563 176.870 -0.060 0.000 1.073 482 L CA 1.639 56.432 54.840 -0.079 0.000 0.748 482 L CB -1.113 40.885 42.059 -0.101 0.000 0.891 482 L HN 0.274 nan 8.230 nan 0.000 0.431 483 T N -0.980 113.542 114.554 -0.054 0.000 2.737 483 T HA -0.244 4.106 4.350 -0.000 0.000 0.269 483 T C 1.801 176.481 174.700 -0.033 0.000 1.040 483 T CA 1.418 63.492 62.100 -0.044 0.000 1.142 483 T CB -0.148 68.695 68.868 -0.042 0.000 0.861 483 T HN 0.338 nan 8.240 nan 0.000 0.456 484 E N -0.092 120.088 120.200 -0.034 0.000 2.371 484 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 484 E C 1.988 178.572 176.600 -0.027 0.000 1.012 484 E CA 0.304 56.688 56.400 -0.027 0.000 0.860 484 E CB 0.008 29.692 29.700 -0.027 0.000 0.811 484 E HN 0.526 nan 8.360 nan 0.000 0.502 485 I N 0.129 120.678 120.570 -0.035 0.000 2.277 485 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 485 I C 2.717 178.825 176.117 -0.014 0.000 1.094 485 I CA 0.532 61.813 61.300 -0.031 0.000 1.393 485 I CB -0.242 37.731 38.000 -0.045 0.000 1.078 485 I HN -0.030 nan 8.210 nan 0.000 0.417 486 R N 1.098 121.589 120.500 -0.014 0.000 2.127 486 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 486 R C 1.939 178.250 176.300 0.017 0.000 1.134 486 R CA 1.649 57.752 56.100 0.005 0.000 0.975 486 R CB 0.048 30.342 30.300 -0.009 0.000 0.865 486 R HN 0.455 nan 8.270 nan 0.000 0.447 487 E N -0.541 119.661 120.200 0.004 0.000 2.075 487 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 487 E C 1.830 178.434 176.600 0.007 0.000 0.969 487 E CA 0.555 56.959 56.400 0.007 0.000 0.815 487 E CB 0.122 29.821 29.700 -0.002 0.000 0.776 487 E HN 0.127 nan 8.360 nan 0.000 0.457 488 K N -0.164 120.236 120.400 -0.000 0.000 2.217 488 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 488 K C 1.260 177.861 176.600 0.002 0.000 1.051 488 K CA 0.965 57.251 56.287 -0.001 0.000 0.952 488 K CB 0.044 32.540 32.500 -0.008 0.000 0.736 488 K HN 0.280 nan 8.250 nan 0.000 0.453 489 G N 0.761 109.564 108.800 0.005 0.000 2.228 489 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.270 489 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.270 489 G C -0.153 174.748 174.900 0.002 0.000 0.976 489 G CA 1.188 46.292 45.100 0.007 0.000 0.636 489 G HN 0.512 nan 8.290 nan 0.000 0.542 490 E N -1.295 118.903 120.200 -0.003 0.000 2.431 490 E HA 0.773 5.123 4.350 -0.000 0.000 0.268 490 E C -0.687 175.904 176.600 -0.015 0.000 0.953 490 E CA -1.090 55.307 56.400 -0.005 0.000 0.810 490 E CB 1.550 31.248 29.700 -0.003 0.000 1.369 490 E HN 0.149 nan 8.360 nan 0.000 0.440 491 L N 1.518 122.731 121.223 -0.016 0.000 2.372 491 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 491 L C -0.186 176.672 176.870 -0.020 0.000 0.988 491 L CA -0.675 54.146 54.840 -0.030 0.000 0.833 491 L CB 1.730 43.761 42.059 -0.047 0.000 1.236 491 L HN 0.551 nan 8.230 nan 0.000 0.410 492 S N 0.904 116.592 115.700 -0.021 0.000 2.669 492 S HA 0.487 4.957 4.470 -0.000 0.000 0.270 492 S C 1.286 175.878 174.600 -0.013 0.000 1.225 492 S CA -0.042 58.151 58.200 -0.012 0.000 0.991 492 S CB 1.541 64.735 63.200 -0.010 0.000 0.987 492 S HN 0.617 nan 8.310 nan 0.000 0.552 493 K N 0.712 121.110 120.400 -0.003 0.000 2.059 493 K HA -0.199 4.121 4.320 -0.000 0.000 0.212 493 K C 1.818 178.417 176.600 -0.002 0.000 1.050 493 K CA 2.448 58.737 56.287 0.003 0.000 0.927 493 K CB -1.732 30.772 32.500 0.008 0.000 0.714 493 K HN 0.826 nan 8.250 nan 0.000 0.447 494 E N -0.070 120.127 120.200 -0.005 0.000 2.047 494 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 494 E C 2.027 178.614 176.600 -0.021 0.000 0.987 494 E CA 1.034 57.431 56.400 -0.006 0.000 0.799 494 E CB -0.251 29.447 29.700 -0.004 0.000 0.752 494 E HN 0.363 nan 8.360 nan 0.000 0.449 495 L N 0.546 121.748 121.223 -0.034 0.000 2.046 495 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 495 L C 2.508 179.314 176.870 -0.107 0.000 1.077 495 L CA 1.901 56.705 54.840 -0.061 0.000 0.747 495 L CB -1.031 40.994 42.059 -0.058 0.000 0.896 495 L HN 0.291 nan 8.230 nan 0.000 0.432 496 L N -1.634 119.529 121.223 -0.101 0.000 2.046 496 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 496 L C 2.724 179.524 176.870 -0.116 0.000 1.077 496 L CA 2.308 57.055 54.840 -0.155 0.000 0.747 496 L CB -2.366 39.665 42.059 -0.046 0.000 0.896 496 L HN 0.483 nan 8.230 nan 0.000 0.432 497 A N -1.867 120.934 122.820 -0.031 0.000 1.972 497 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 497 A C 2.737 180.316 177.584 -0.009 0.000 1.169 497 A CA 1.861 53.904 52.037 0.010 0.000 0.635 497 A CB -0.714 18.299 19.000 0.023 0.000 0.810 497 A HN 0.650 nan 8.150 nan 0.000 0.446 498 S N -1.172 114.502 115.700 -0.044 0.000 2.406 498 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 498 S C 2.080 176.621 174.600 -0.098 0.000 1.020 498 S CA 1.343 59.517 58.200 -0.043 0.000 0.965 498 S CB -0.590 62.589 63.200 -0.036 0.000 0.798 498 S HN 0.839 nan 8.310 nan 0.000 0.488 499 L N 1.121 122.234 121.223 -0.185 0.000 2.109 499 L HA 0.236 4.576 4.340 -0.000 0.000 0.207 499 L C 2.743 179.544 176.870 -0.115 0.000 1.086 499 L CA 2.111 56.794 54.840 -0.262 0.000 0.760 499 L CB -2.348 39.350 42.059 -0.602 0.000 0.910 499 L HN 0.585 nan 8.230 nan 0.000 0.437 500 K N -0.894 119.493 120.400 -0.022 0.000 2.103 500 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 500 K C 2.497 179.179 176.600 0.136 0.000 1.048 500 K CA 1.804 58.205 56.287 0.190 0.000 0.930 500 K CB -1.222 31.404 32.500 0.211 0.000 0.716 500 K HN 0.650 nan 8.250 nan 0.000 0.444 501 S N -0.197 115.547 115.700 0.072 0.000 2.349 501 S HA 0.057 4.527 4.470 -0.000 0.000 0.216 501 S C 2.518 177.170 174.600 0.087 0.000 1.033 501 S CA 1.269 59.519 58.200 0.083 0.000 1.021 501 S CB -0.553 62.692 63.200 0.075 0.000 0.968 501 S HN 0.827 nan 8.310 nan 0.000 0.426 502 A N 0.881 123.683 122.820 -0.030 0.000 1.958 502 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 502 A C 2.246 179.983 177.584 0.255 0.000 1.178 502 A CA 2.446 54.452 52.037 -0.052 0.000 0.642 502 A CB -1.471 17.230 19.000 -0.499 0.000 0.816 502 A HN 0.599 nan 8.150 nan 0.000 0.453 503 T N -0.494 114.158 114.554 0.162 0.000 2.668 503 T HA 0.061 4.411 4.350 -0.000 0.000 0.258 503 T C 2.266 176.994 174.700 0.047 0.000 1.051 503 T CA 2.053 64.140 62.100 -0.021 0.000 1.155 503 T CB -0.808 67.923 68.868 -0.228 0.000 0.864 503 T HN 0.752 nan 8.240 nan 0.000 0.413 504 E N 1.305 121.590 120.200 0.142 0.000 2.209 504 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 504 E C 2.243 178.906 176.600 0.106 0.000 0.993 504 E CA 1.575 58.079 56.400 0.173 0.000 0.819 504 E CB -1.050 28.759 29.700 0.181 0.000 0.745 504 E HN 0.456 nan 8.360 nan 0.000 0.477 505 S N -1.385 114.391 115.700 0.127 0.000 2.355 505 S HA -0.031 4.439 4.470 -0.000 0.000 0.222 505 S C 1.830 176.452 174.600 0.036 0.000 1.031 505 S CA 1.345 59.625 58.200 0.134 0.000 0.993 505 S CB -0.433 62.929 63.200 0.269 0.000 0.859 505 S HN 0.643 nan 8.310 nan 0.000 0.453 506 F N 1.959 121.788 119.950 -0.202 0.000 2.163 506 F HA 0.054 4.581 4.527 0.000 0.000 0.297 506 F C 1.997 177.670 175.800 -0.211 0.000 1.094 506 F CA 1.081 58.821 58.000 -0.432 0.000 1.290 506 F CB -0.441 38.180 39.000 -0.632 0.000 1.017 506 F HN 0.035 nan 8.300 nan 0.000 0.483 507 V N 0.812 120.651 119.914 -0.126 0.000 2.469 507 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 507 V C 2.742 178.778 176.094 -0.098 0.000 1.064 507 V CA 1.704 63.947 62.300 -0.094 0.000 1.066 507 V CB -1.659 30.190 31.823 0.043 0.000 0.667 507 V HN 0.490 nan 8.190 nan 0.000 0.461 508 A N -0.999 121.773 122.820 -0.079 0.000 1.972 508 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 508 A C 1.969 179.502 177.584 -0.086 0.000 1.169 508 A CA 1.933 53.939 52.037 -0.052 0.000 0.635 508 A CB -0.374 18.617 19.000 -0.014 0.000 0.810 508 A HN 0.473 nan 8.150 nan 0.000 0.446 509 T N -0.820 113.626 114.554 -0.181 0.000 3.355 509 T HA 0.547 4.897 4.350 -0.000 0.000 0.376 509 T C -0.971 173.559 174.700 -0.283 0.000 1.683 509 T CA -0.450 61.536 62.100 -0.189 0.000 1.269 509 T CB -0.829 67.958 68.868 -0.135 0.000 1.158 509 T HN 0.246 nan 8.240 nan 0.000 0.703 510 F N 0.000 119.733 119.950 -0.361 0.000 2.286 510 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 510 F CA 0.000 57.794 58.000 -0.344 0.000 1.383 510 F CB 0.000 38.734 39.000 -0.444 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574