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 2jdq_1_B DATA FIRST_RESID 84 DATA SEQUENCE TSDMIEMIFS KSPEQQLSAT QKFRKLLSKE PNPPIDEVIS TPGVVARFVE DATA SEQUENCE FLKRKENCTL QFESAWVLTN IASGNSLQTR IVIQAGAVPI FIELLSSEFE DATA SEQUENCE DVQEQAVWAL GNIAGDSTMC RDYVLDCNIL PPLLQLFSKQ NRLTMTRNAV DATA SEQUENCE WALSNLCRGK SPPPEFAKVS PCLNVLSWLL FVSDTDVLAD ACWALSYLSD DATA SEQUENCE GPNDKIQAVI DAGVCRRLVE LLMHNDYKVV SPALRAVGNI VTGDDIQTQV DATA SEQUENCE ILNCSALQSL LHLLSSPKES IKKEACWTIS NITAGNRAQI QTVIDANIFP DATA SEQUENCE ALISILQTAE FRTRKEAAWA ITNATSGGSA EQIKYLVELG CIKPLCDLLT DATA SEQUENCE VMDSKIVQVA LNGLENILRL GEQEAKRNGT GINPYCALIE EAYGLDKIEF DATA SEQUENCE LQSHENQEIY QKAFDLIEHY FGTEDE 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 84 T HA 0.000 nan 4.350 nan 0.000 0.228 84 T C 0.000 174.673 174.700 -0.046 0.000 1.109 84 T CA 0.000 62.056 62.100 -0.073 0.000 1.349 84 T CB 0.000 68.819 68.868 -0.082 0.000 0.612 85 S N -0.593 115.096 115.700 -0.018 0.000 2.603 85 S HA 0.016 4.486 4.470 -0.000 0.000 0.220 85 S C 0.932 175.539 174.600 0.011 0.000 0.967 85 S CA 0.484 58.689 58.200 0.008 0.000 0.920 85 S CB -0.212 62.995 63.200 0.012 0.000 0.773 85 S HN 0.631 nan 8.310 nan 0.000 0.529 86 D N 1.747 122.139 120.400 -0.013 0.000 2.219 86 D HA 0.039 4.679 4.640 -0.000 0.000 0.205 86 D C 1.694 177.989 176.300 -0.008 0.000 0.970 86 D CA 0.989 54.982 54.000 -0.011 0.000 0.851 86 D CB -0.112 40.669 40.800 -0.031 0.000 0.943 86 D HN 0.467 nan 8.370 nan 0.000 0.488 87 M N -0.042 119.532 119.600 -0.043 0.000 2.099 87 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 87 M C 2.294 178.666 176.300 0.120 0.000 1.067 87 M CA 1.108 56.380 55.300 -0.046 0.000 1.124 87 M CB -0.033 32.386 32.600 -0.302 0.000 1.353 87 M HN -0.048 nan 8.290 nan 0.000 0.410 88 I N -0.483 120.167 120.570 0.133 0.000 2.252 88 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 88 I C 2.302 178.561 176.117 0.237 0.000 1.102 88 I CA 1.267 62.694 61.300 0.212 0.000 1.385 88 I CB -0.443 37.676 38.000 0.198 0.000 1.064 88 I HN 0.338 nan 8.210 nan 0.000 0.414 89 E N 0.364 120.658 120.200 0.156 0.000 2.158 89 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 89 E C 2.326 179.005 176.600 0.132 0.000 0.982 89 E CA 0.895 57.383 56.400 0.147 0.000 0.823 89 E CB 0.098 29.850 29.700 0.086 0.000 0.766 89 E HN 0.479 nan 8.360 nan 0.000 0.468 90 M N 0.357 120.016 119.600 0.098 0.000 2.156 90 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 90 M C 2.461 178.815 176.300 0.090 0.000 1.067 90 M CA 0.967 56.314 55.300 0.079 0.000 1.131 90 M CB -0.129 32.501 32.600 0.050 0.000 1.368 90 M HN 0.128 nan 8.290 nan 0.000 0.416 91 I N -0.164 120.454 120.570 0.080 0.000 2.226 91 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 91 I C 1.582 177.648 176.117 -0.085 0.000 1.100 91 I CA 1.622 62.928 61.300 0.010 0.000 1.374 91 I CB 0.012 37.948 38.000 -0.107 0.000 1.057 91 I HN 0.122 nan 8.210 nan 0.000 0.413 92 F N 0.887 120.867 119.950 0.049 0.000 2.780 92 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 92 F C 1.838 177.656 175.800 0.029 0.000 1.146 92 F CA 0.099 58.103 58.000 0.006 0.000 1.428 92 F CB -0.263 38.723 39.000 -0.023 0.000 1.115 92 F HN 0.098 nan 8.300 nan 0.000 0.583 93 S N 0.407 116.220 115.700 0.188 0.000 2.596 93 S HA 0.061 4.531 4.470 -0.000 0.000 0.260 93 S C 0.655 175.324 174.600 0.116 0.000 1.336 93 S CA -0.566 57.710 58.200 0.128 0.000 0.993 93 S CB 0.805 64.060 63.200 0.092 0.000 0.923 93 S HN 0.317 nan 8.310 nan 0.000 0.567 94 K N 0.639 121.090 120.400 0.085 0.000 2.446 94 K HA 0.161 4.481 4.320 -0.000 0.000 0.203 94 K C 0.120 176.756 176.600 0.060 0.000 1.027 94 K CA -0.060 56.272 56.287 0.075 0.000 1.166 94 K CB 0.274 32.808 32.500 0.057 0.000 0.869 94 K HN 0.686 nan 8.250 nan 0.000 0.504 95 S N -0.093 115.639 115.700 0.054 0.000 2.475 95 S HA 0.346 4.816 4.470 -0.000 0.000 0.298 95 S C -2.286 172.325 174.600 0.019 0.000 1.119 95 S CA -1.522 56.698 58.200 0.032 0.000 1.085 95 S CB 1.784 64.997 63.200 0.022 0.000 1.028 95 S HN -0.199 nan 8.310 nan 0.000 0.489 96 P HA 0.002 nan 4.420 nan 0.000 0.223 96 P C 1.144 178.407 177.300 -0.062 0.000 1.151 96 P CA 0.746 63.822 63.100 -0.040 0.000 0.787 96 P CB 0.160 31.841 31.700 -0.031 0.000 0.788 97 E N 0.386 120.566 120.200 -0.034 0.000 2.028 97 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 97 E C 2.045 178.623 176.600 -0.037 0.000 0.988 97 E CA 1.239 57.619 56.400 -0.034 0.000 0.799 97 E CB -0.680 29.010 29.700 -0.017 0.000 0.755 97 E HN 0.451 nan 8.360 nan 0.000 0.447 98 Q N 0.441 120.229 119.800 -0.020 0.000 2.224 98 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 98 Q C 2.208 178.198 176.000 -0.017 0.000 0.970 98 Q CA 0.954 56.752 55.803 -0.009 0.000 0.865 98 Q CB -0.055 28.692 28.738 0.014 0.000 0.922 98 Q HN 0.354 nan 8.270 nan 0.000 0.445 99 Q N 0.375 120.144 119.800 -0.051 0.000 2.049 99 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 99 Q C 2.111 177.988 176.000 -0.204 0.000 0.971 99 Q CA 0.807 56.538 55.803 -0.121 0.000 0.833 99 Q CB 0.004 28.596 28.738 -0.243 0.000 0.896 99 Q HN 0.345 nan 8.270 nan 0.000 0.434 100 L N 0.098 121.198 121.223 -0.205 0.000 2.056 100 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 100 L C 2.502 179.325 176.870 -0.077 0.000 1.078 100 L CA 1.100 55.843 54.840 -0.162 0.000 0.749 100 L CB -0.301 41.681 42.059 -0.128 0.000 0.901 100 L HN 0.264 nan 8.230 nan 0.000 0.433 101 S N -0.305 115.362 115.700 -0.056 0.000 2.353 101 S HA -0.236 4.234 4.470 -0.000 0.000 0.222 101 S C 2.061 176.648 174.600 -0.021 0.000 1.035 101 S CA 1.539 59.717 58.200 -0.036 0.000 1.025 101 S CB -0.230 62.952 63.200 -0.030 0.000 0.902 101 S HN 0.572 nan 8.310 nan 0.000 0.440 102 A N 0.025 122.849 122.820 0.007 0.000 2.019 102 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 102 A C 2.296 179.986 177.584 0.177 0.000 1.164 102 A CA 2.067 54.138 52.037 0.056 0.000 0.644 102 A CB -1.208 17.852 19.000 0.100 0.000 0.805 102 A HN 0.616 nan 8.150 nan 0.000 0.449 103 T N -0.243 114.406 114.554 0.159 0.000 2.942 103 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 103 T C 1.971 176.701 174.700 0.050 0.000 1.062 103 T CA 1.484 63.712 62.100 0.213 0.000 1.139 103 T CB -0.161 68.773 68.868 0.109 0.000 0.883 103 T HN 0.624 nan 8.240 nan 0.000 0.468 104 Q N 0.567 120.349 119.800 -0.030 0.000 2.224 104 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 104 Q C 2.321 178.244 176.000 -0.129 0.000 0.970 104 Q CA 0.997 56.736 55.803 -0.108 0.000 0.865 104 Q CB -0.013 28.676 28.738 -0.082 0.000 0.922 104 Q HN 0.421 nan 8.270 nan 0.000 0.445 105 K N -0.060 120.287 120.400 -0.088 0.000 2.025 105 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 105 K C 1.739 178.251 176.600 -0.147 0.000 1.049 105 K CA 1.032 57.236 56.287 -0.138 0.000 0.933 105 K CB -0.108 32.288 32.500 -0.173 0.000 0.714 105 K HN 0.131 nan 8.250 nan 0.000 0.438 106 F N 1.350 121.246 119.950 -0.090 0.000 2.202 106 F HA -0.198 4.329 4.527 -0.000 0.000 0.301 106 F C 2.640 178.307 175.800 -0.222 0.000 1.082 106 F CA 1.023 58.968 58.000 -0.092 0.000 1.313 106 F CB 0.025 39.036 39.000 0.019 0.000 1.024 106 F HN 0.032 nan 8.300 nan 0.000 0.495 107 R N 0.968 121.380 120.500 -0.147 0.000 2.092 107 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 107 R C 1.925 177.981 176.300 -0.407 0.000 1.119 107 R CA 1.401 57.239 56.100 -0.438 0.000 0.970 107 R CB -0.133 29.729 30.300 -0.730 0.000 0.864 107 R HN 0.232 nan 8.270 nan 0.000 0.440 108 K N 0.302 120.530 120.400 -0.286 0.000 2.155 108 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 108 K C 2.104 178.616 176.600 -0.146 0.000 1.052 108 K CA 0.827 56.983 56.287 -0.219 0.000 0.948 108 K CB -0.047 32.350 32.500 -0.171 0.000 0.728 108 K HN 0.196 nan 8.250 nan 0.000 0.448 109 L N 0.686 121.840 121.223 -0.115 0.000 2.131 109 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 109 L C 1.563 178.405 176.870 -0.048 0.000 1.092 109 L CA 1.099 55.900 54.840 -0.064 0.000 0.759 109 L CB 0.040 42.082 42.059 -0.027 0.000 0.903 109 L HN 0.188 nan 8.230 nan 0.000 0.435 110 L N -2.157 119.022 121.223 -0.073 0.000 2.700 110 L HA 0.124 4.464 4.340 -0.000 0.000 0.234 110 L C 1.642 178.469 176.870 -0.072 0.000 1.156 110 L CA -0.172 54.630 54.840 -0.063 0.000 0.946 110 L CB 0.338 42.355 42.059 -0.070 0.000 1.216 110 L HN -0.002 nan 8.230 nan 0.000 0.493 111 S N -0.950 114.693 115.700 -0.095 0.000 2.497 111 S HA 0.121 4.591 4.470 -0.000 0.000 0.218 111 S C 0.710 175.303 174.600 -0.011 0.000 1.023 111 S CA -0.071 58.095 58.200 -0.056 0.000 0.913 111 S CB 0.308 63.429 63.200 -0.131 0.000 0.800 111 S HN 0.276 nan 8.310 nan 0.000 0.505 112 K N 1.774 122.160 120.400 -0.024 0.000 2.401 112 K HA 0.116 4.436 4.320 -0.000 0.000 0.278 112 K C 0.641 177.245 176.600 0.007 0.000 1.018 112 K CA -0.037 56.245 56.287 -0.008 0.000 0.981 112 K CB 0.528 33.018 32.500 -0.016 0.000 0.933 112 K HN 0.005 nan 8.250 nan 0.000 0.477 113 E N 1.908 122.117 120.200 0.014 0.000 2.085 113 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 113 E C -1.501 175.108 176.600 0.016 0.000 0.994 113 E CA 0.868 57.280 56.400 0.020 0.000 0.801 113 E CB -0.879 28.834 29.700 0.022 0.000 0.743 113 E HN 0.577 nan 8.360 nan 0.000 0.453 114 P HA -0.001 nan 4.420 nan 0.000 0.267 114 P C -0.939 176.367 177.300 0.009 0.000 1.205 114 P CA 0.043 63.149 63.100 0.009 0.000 0.765 114 P CB 0.261 31.964 31.700 0.006 0.000 0.828 115 N N 3.645 122.352 118.700 0.012 0.000 2.036 115 N HA -0.051 4.689 4.740 -0.000 0.000 0.288 115 N C -1.860 173.657 175.510 0.012 0.000 1.293 115 N CA -0.227 52.831 53.050 0.014 0.000 0.808 115 N CB -0.320 38.176 38.487 0.014 0.000 1.040 115 N HN 0.421 nan 8.380 nan 0.000 0.489 116 P HA 0.263 nan 4.420 nan 0.000 0.287 116 P C -2.697 174.613 177.300 0.018 0.000 1.270 116 P CA -1.811 61.295 63.100 0.010 0.000 0.844 116 P CB 0.776 32.479 31.700 0.005 0.000 1.068 117 P HA 0.249 nan 4.420 nan 0.000 0.237 117 P C 0.777 178.106 177.300 0.048 0.000 1.788 117 P CA -0.053 63.069 63.100 0.036 0.000 1.061 117 P CB -0.200 31.523 31.700 0.039 0.000 1.967 118 I N 0.579 121.171 120.570 0.037 0.000 2.277 118 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 118 I C 1.847 177.991 176.117 0.046 0.000 1.094 118 I CA 1.122 62.444 61.300 0.037 0.000 1.393 118 I CB -0.277 37.739 38.000 0.027 0.000 1.078 118 I HN 0.111 nan 8.210 nan 0.000 0.417 119 D N 0.937 121.361 120.400 0.040 0.000 2.144 119 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 119 D C 1.948 178.277 176.300 0.050 0.000 0.984 119 D CA 1.351 55.375 54.000 0.040 0.000 0.834 119 D CB -0.126 40.693 40.800 0.031 0.000 0.955 119 D HN 0.451 nan 8.370 nan 0.000 0.465 120 E N 0.067 120.301 120.200 0.058 0.000 2.285 120 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 120 E C 2.236 178.900 176.600 0.107 0.000 0.997 120 E CA 0.088 56.531 56.400 0.072 0.000 0.845 120 E CB 0.378 30.117 29.700 0.066 0.000 0.782 120 E HN 0.058 nan 8.360 nan 0.000 0.491 121 V N 1.056 121.042 119.914 0.120 0.000 2.283 121 V HA -0.227 3.893 4.120 -0.000 0.000 0.243 121 V C 2.192 178.343 176.094 0.095 0.000 1.039 121 V CA 1.333 63.724 62.300 0.150 0.000 1.016 121 V CB -0.335 31.570 31.823 0.137 0.000 0.650 121 V HN 0.267 nan 8.190 nan 0.000 0.449 122 I N 1.440 122.052 120.570 0.071 0.000 2.145 122 I HA -0.311 3.858 4.170 -0.000 0.000 0.244 122 I C 2.592 178.737 176.117 0.047 0.000 1.075 122 I CA 2.213 63.545 61.300 0.054 0.000 1.332 122 I CB -0.430 37.596 38.000 0.044 0.000 1.033 122 I HN 0.510 nan 8.210 nan 0.000 0.410 123 S N -1.043 114.688 115.700 0.051 0.000 2.515 123 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 123 S C 1.025 175.655 174.600 0.050 0.000 0.987 123 S CA 0.196 58.422 58.200 0.044 0.000 0.936 123 S CB -0.892 62.332 63.200 0.041 0.000 0.766 123 S HN 0.313 nan 8.310 nan 0.000 0.528 124 T N 5.450 120.045 114.554 0.068 0.000 2.916 124 T HA 0.250 4.600 4.350 -0.000 0.000 0.303 124 T C -2.582 172.164 174.700 0.076 0.000 1.025 124 T CA -0.940 61.211 62.100 0.085 0.000 1.142 124 T CB 0.510 69.452 68.868 0.123 0.000 0.947 124 T HN 0.259 nan 8.240 nan 0.000 0.544 125 P HA 0.065 nan 4.420 nan 0.000 0.258 125 P C 0.857 178.230 177.300 0.122 0.000 1.187 125 P CA 0.267 63.401 63.100 0.057 0.000 0.767 125 P CB -0.153 31.550 31.700 0.006 0.000 0.770 126 G N 3.027 111.870 108.800 0.072 0.000 2.422 126 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.301 126 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.301 126 G C 0.832 175.785 174.900 0.089 0.000 0.981 126 G CA 0.164 45.313 45.100 0.083 0.000 0.994 126 G HN 0.431 nan 8.290 nan 0.000 0.514 127 V N -0.816 119.075 119.914 -0.038 0.000 2.725 127 V HA -0.072 4.047 4.120 -0.000 0.000 0.247 127 V C 2.706 178.526 176.094 -0.458 0.000 1.058 127 V CA 1.514 63.607 62.300 -0.345 0.000 1.080 127 V CB 0.452 32.104 31.823 -0.284 0.000 0.713 127 V HN 0.377 nan 8.190 nan 0.000 0.465 128 V N 0.517 120.348 119.914 -0.138 0.000 2.379 128 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 128 V C 2.660 178.721 176.094 -0.056 0.000 1.044 128 V CA 1.870 64.179 62.300 0.015 0.000 1.036 128 V CB -0.849 31.010 31.823 0.059 0.000 0.664 128 V HN 0.540 nan 8.190 nan 0.000 0.453 129 A N 0.032 122.791 122.820 -0.101 0.000 2.067 129 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 129 A C 2.259 179.706 177.584 -0.227 0.000 1.158 129 A CA 1.708 53.677 52.037 -0.114 0.000 0.661 129 A CB -0.447 18.510 19.000 -0.072 0.000 0.801 129 A HN 0.428 nan 8.150 nan 0.000 0.452 130 R N -0.712 119.552 120.500 -0.393 0.000 2.115 130 R HA 0.067 4.407 4.340 -0.000 0.000 0.226 130 R C 1.445 177.257 176.300 -0.814 0.000 1.100 130 R CA 1.397 57.078 56.100 -0.698 0.000 0.980 130 R CB -0.816 28.904 30.300 -0.967 0.000 0.875 130 R HN 0.552 nan 8.270 nan 0.000 0.445 131 F N -0.902 118.830 119.950 -0.365 0.000 2.259 131 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 131 F C 2.127 177.837 175.800 -0.150 0.000 1.088 131 F CA 0.593 58.484 58.000 -0.181 0.000 1.358 131 F CB -0.057 38.869 39.000 -0.123 0.000 1.040 131 F HN -0.172 nan 8.300 nan 0.000 0.505 132 V N -0.141 119.761 119.914 -0.021 0.000 2.427 132 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 132 V C 2.074 178.099 176.094 -0.114 0.000 1.051 132 V CA 1.706 63.951 62.300 -0.092 0.000 1.048 132 V CB -0.593 31.175 31.823 -0.092 0.000 0.666 132 V HN 0.306 nan 8.190 nan 0.000 0.456 133 E N -0.120 119.966 120.200 -0.190 0.000 2.070 133 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 133 E C 2.047 178.597 176.600 -0.083 0.000 1.004 133 E CA 1.649 57.927 56.400 -0.204 0.000 0.805 133 E CB -0.189 29.290 29.700 -0.368 0.000 0.744 133 E HN 0.575 nan 8.360 nan 0.000 0.451 134 F N 0.572 120.506 119.950 -0.026 0.000 2.333 134 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 134 F C 1.972 177.774 175.800 0.003 0.000 1.083 134 F CA 0.649 58.650 58.000 0.000 0.000 1.395 134 F CB -0.471 38.551 39.000 0.037 0.000 1.056 134 F HN 0.038 nan 8.300 nan 0.000 0.529 135 L N -0.336 120.965 121.223 0.131 0.000 2.191 135 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 135 L C 1.925 178.823 176.870 0.048 0.000 1.103 135 L CA 1.355 56.219 54.840 0.040 0.000 0.769 135 L CB -0.563 41.413 42.059 -0.137 0.000 0.908 135 L HN 0.096 nan 8.230 nan 0.000 0.438 136 K N -0.359 120.070 120.400 0.049 0.000 2.459 136 K HA 0.049 4.369 4.320 -0.000 0.000 0.193 136 K C 0.417 177.062 176.600 0.074 0.000 1.030 136 K CA 0.032 56.347 56.287 0.048 0.000 1.026 136 K CB 0.205 32.720 32.500 0.025 0.000 0.809 136 K HN 0.099 nan 8.250 nan 0.000 0.504 137 R N 1.843 122.404 120.500 0.102 0.000 3.688 137 R HA 0.020 4.360 4.340 -0.000 0.000 0.194 137 R C 0.763 177.107 176.300 0.074 0.000 1.677 137 R CA 0.179 56.335 56.100 0.094 0.000 1.351 137 R CB -0.062 30.308 30.300 0.116 0.000 1.338 137 R HN 0.180 nan 8.270 nan 0.000 0.731 138 K N 1.807 122.256 120.400 0.082 0.000 2.286 138 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 138 K C 1.424 178.084 176.600 0.100 0.000 1.045 138 K CA 1.531 57.881 56.287 0.105 0.000 0.935 138 K CB 0.404 32.964 32.500 0.101 0.000 0.737 138 K HN 0.340 nan 8.250 nan 0.000 0.460 139 E N 0.017 120.254 120.200 0.062 0.000 2.489 139 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 139 E C -0.299 176.297 176.600 -0.007 0.000 1.057 139 E CA 0.410 56.836 56.400 0.044 0.000 0.866 139 E CB -0.002 29.721 29.700 0.039 0.000 0.916 139 E HN 0.054 nan 8.360 nan 0.000 0.500 140 N N 0.893 119.572 118.700 -0.034 0.000 2.675 140 N HA 0.060 4.799 4.740 -0.000 0.000 0.254 140 N C 0.471 175.911 175.510 -0.117 0.000 1.224 140 N CA -0.248 52.751 53.050 -0.086 0.000 0.777 140 N CB 0.311 38.760 38.487 -0.064 0.000 1.256 140 N HN 0.152 nan 8.380 nan 0.000 0.531 141 C N -0.049 119.093 119.300 -0.264 0.000 2.435 141 C HA 0.010 4.470 4.460 -0.000 0.000 0.279 141 C C 2.215 177.151 174.990 -0.090 0.000 1.321 141 C CA 0.840 59.684 59.018 -0.290 0.000 1.752 141 C CB -1.225 26.002 27.740 -0.855 0.000 1.959 141 C HN 0.568 nan 8.230 nan 0.000 0.500 142 T N 2.013 116.515 114.554 -0.088 0.000 2.684 142 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 142 T C 1.696 176.440 174.700 0.074 0.000 1.036 142 T CA 2.005 64.133 62.100 0.046 0.000 1.148 142 T CB -0.457 68.413 68.868 0.003 0.000 0.863 142 T HN 0.494 nan 8.240 nan 0.000 0.436 143 L N 1.049 122.257 121.223 -0.024 0.000 2.017 143 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 143 L C 2.519 179.401 176.870 0.020 0.000 1.073 143 L CA 1.708 56.500 54.840 -0.080 0.000 0.745 143 L CB -0.817 41.122 42.059 -0.200 0.000 0.894 143 L HN 0.268 nan 8.230 nan 0.000 0.432 144 Q N -1.664 118.176 119.800 0.066 0.000 2.061 144 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 144 Q C 2.176 178.295 176.000 0.199 0.000 0.984 144 Q CA 2.129 58.012 55.803 0.135 0.000 0.846 144 Q CB -0.442 28.373 28.738 0.128 0.000 0.902 144 Q HN 0.509 nan 8.270 nan 0.000 0.421 145 F N 2.064 122.051 119.950 0.062 0.000 2.051 145 F HA -0.211 4.316 4.527 0.000 0.000 0.296 145 F C 2.113 178.015 175.800 0.170 0.000 1.122 145 F CA 1.554 59.617 58.000 0.105 0.000 1.201 145 F CB -0.223 38.824 39.000 0.078 0.000 0.978 145 F HN -0.022 nan 8.300 nan 0.000 0.472 146 E N 0.126 120.317 120.200 -0.014 0.000 2.160 146 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 146 E C 2.406 178.939 176.600 -0.111 0.000 0.991 146 E CA 1.468 57.789 56.400 -0.131 0.000 0.810 146 E CB -0.648 29.020 29.700 -0.055 0.000 0.742 146 E HN 0.405 nan 8.360 nan 0.000 0.466 147 S N 0.613 116.307 115.700 -0.009 0.000 2.387 147 S HA -0.021 4.449 4.470 -0.000 0.000 0.226 147 S C 2.056 176.669 174.600 0.022 0.000 1.026 147 S CA 0.801 59.014 58.200 0.021 0.000 0.972 147 S CB -0.023 63.308 63.200 0.218 0.000 0.814 147 S HN 0.393 nan 8.310 nan 0.000 0.477 148 A N 0.765 123.649 122.820 0.106 0.000 2.015 148 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 148 A C 1.787 179.398 177.584 0.045 0.000 1.163 148 A CA 0.944 53.121 52.037 0.233 0.000 0.646 148 A CB -0.655 18.532 19.000 0.312 0.000 0.806 148 A HN 0.685 nan 8.150 nan 0.000 0.448 149 W N 0.749 121.840 121.300 -0.349 0.000 2.378 149 W HA -0.118 4.542 4.660 -0.000 0.000 0.313 149 W C 2.079 178.366 176.519 -0.386 0.000 1.197 149 W CA 1.710 58.768 57.345 -0.478 0.000 1.304 149 W CB -0.841 28.238 29.460 -0.636 0.000 1.148 149 W HN 0.166 nan 8.180 nan 0.000 0.494 150 V N 1.471 121.306 119.914 -0.131 0.000 2.287 150 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 150 V C 2.500 178.447 176.094 -0.245 0.000 1.053 150 V CA 2.059 64.163 62.300 -0.327 0.000 1.027 150 V CB -1.139 30.240 31.823 -0.741 0.000 0.646 150 V HN 0.112 nan 8.190 nan 0.000 0.447 151 L N -0.558 120.574 121.223 -0.153 0.000 2.201 151 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 151 L C 2.532 179.417 176.870 0.026 0.000 1.105 151 L CA 1.495 56.341 54.840 0.009 0.000 0.775 151 L CB -0.800 41.393 42.059 0.222 0.000 0.913 151 L HN 0.362 nan 8.230 nan 0.000 0.440 152 T N -0.622 113.896 114.554 -0.061 0.000 2.777 152 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 152 T C 1.649 176.276 174.700 -0.120 0.000 1.040 152 T CA 1.338 63.336 62.100 -0.169 0.000 1.141 152 T CB -0.163 68.436 68.868 -0.449 0.000 0.868 152 T HN 0.280 nan 8.240 nan 0.000 0.444 153 N N 0.892 119.531 118.700 -0.101 0.000 2.270 153 N HA 0.149 4.889 4.740 -0.000 0.000 0.181 153 N C 1.763 177.259 175.510 -0.025 0.000 1.016 153 N CA 0.511 53.527 53.050 -0.056 0.000 0.870 153 N CB -0.307 38.155 38.487 -0.042 0.000 0.979 153 N HN 0.385 nan 8.380 nan 0.000 0.431 154 I N 0.594 121.146 120.570 -0.031 0.000 2.252 154 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 154 I C 2.077 178.210 176.117 0.026 0.000 1.102 154 I CA 0.881 62.180 61.300 -0.002 0.000 1.385 154 I CB -0.268 37.729 38.000 -0.005 0.000 1.064 154 I HN 0.056 nan 8.210 nan 0.000 0.414 155 A N 0.460 123.301 122.820 0.035 0.000 2.070 155 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 155 A C 1.449 179.077 177.584 0.073 0.000 1.159 155 A CA 1.061 53.134 52.037 0.061 0.000 0.656 155 A CB -0.684 18.357 19.000 0.068 0.000 0.800 155 A HN 0.497 nan 8.150 nan 0.000 0.453 156 S N -0.525 115.215 115.700 0.066 0.000 2.405 156 S HA 0.578 5.048 4.470 -0.000 0.000 0.291 156 S C 0.348 174.983 174.600 0.058 0.000 1.137 156 S CA 0.071 58.321 58.200 0.084 0.000 1.061 156 S CB 0.305 63.558 63.200 0.087 0.000 1.001 156 S HN 1.632 nan 8.310 nan 0.000 0.507 157 G N 3.001 111.836 108.800 0.057 0.000 2.334 157 G HA2 0.077 4.037 3.960 -0.000 0.000 0.249 157 G HA3 0.077 4.037 3.960 -0.000 0.000 0.249 157 G C -1.403 173.519 174.900 0.038 0.000 1.327 157 G CA -1.103 44.022 45.100 0.042 0.000 0.979 157 G HN 0.638 nan 8.290 nan 0.000 0.471 158 N N 0.348 119.066 118.700 0.030 0.000 2.307 158 N HA 0.246 4.986 4.740 -0.000 0.000 0.230 158 N C 1.341 176.866 175.510 0.025 0.000 1.297 158 N CA 0.552 53.616 53.050 0.025 0.000 0.884 158 N CB 1.197 39.696 38.487 0.021 0.000 1.115 158 N HN 0.439 nan 8.380 nan 0.000 0.436 159 S N -0.060 115.651 115.700 0.019 0.000 2.387 159 S HA 0.095 4.565 4.470 -0.000 0.000 0.226 159 S C 1.744 176.353 174.600 0.015 0.000 1.026 159 S CA 0.553 58.762 58.200 0.016 0.000 0.972 159 S CB -0.100 63.105 63.200 0.008 0.000 0.814 159 S HN 0.405 nan 8.310 nan 0.000 0.477 160 L N 0.710 121.941 121.223 0.013 0.000 2.313 160 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 160 L C 2.551 179.433 176.870 0.019 0.000 1.119 160 L CA 0.830 55.678 54.840 0.012 0.000 0.809 160 L CB -0.509 41.556 42.059 0.010 0.000 0.933 160 L HN 0.374 nan 8.230 nan 0.000 0.449 161 Q N -0.364 119.450 119.800 0.024 0.000 2.083 161 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 161 Q C 2.156 178.179 176.000 0.038 0.000 0.969 161 Q CA 1.865 57.686 55.803 0.031 0.000 0.838 161 Q CB -0.038 28.719 28.738 0.031 0.000 0.900 161 Q HN 0.412 nan 8.270 nan 0.000 0.436 162 T N 0.437 115.015 114.554 0.041 0.000 2.867 162 T HA -0.117 4.232 4.350 -0.000 0.000 0.268 162 T C 1.619 176.352 174.700 0.055 0.000 1.057 162 T CA 0.895 63.028 62.100 0.054 0.000 1.136 162 T CB -0.078 68.822 68.868 0.053 0.000 0.874 162 T HN 0.181 nan 8.240 nan 0.000 0.466 163 R N 0.229 120.749 120.500 0.035 0.000 2.240 163 R HA 0.180 4.520 4.340 -0.000 0.000 0.203 163 R C 1.998 178.311 176.300 0.021 0.000 1.011 163 R CA 0.414 56.527 56.100 0.020 0.000 1.007 163 R CB -0.214 30.085 30.300 -0.001 0.000 0.911 163 R HN 0.381 nan 8.270 nan 0.000 0.468 164 I N -0.122 120.465 120.570 0.029 0.000 2.493 164 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 164 I C 1.851 177.994 176.117 0.044 0.000 1.160 164 I CA 0.691 62.009 61.300 0.030 0.000 1.445 164 I CB 0.166 38.185 38.000 0.031 0.000 1.086 164 I HN -0.030 nan 8.210 nan 0.000 0.433 165 V N 0.642 120.595 119.914 0.066 0.000 2.407 165 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 165 V C 2.237 178.395 176.094 0.107 0.000 1.041 165 V CA 1.483 63.841 62.300 0.096 0.000 1.040 165 V CB -0.248 31.657 31.823 0.136 0.000 0.671 165 V HN 0.305 nan 8.190 nan 0.000 0.455 166 I N -0.080 120.553 120.570 0.104 0.000 2.286 166 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 166 I C 2.555 178.702 176.117 0.050 0.000 1.115 166 I CA 1.588 62.958 61.300 0.116 0.000 1.392 166 I CB -0.325 37.709 38.000 0.058 0.000 1.065 166 I HN 0.379 nan 8.210 nan 0.000 0.418 167 Q N 0.397 120.205 119.800 0.013 0.000 2.311 167 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 167 Q C 2.291 178.296 176.000 0.009 0.000 0.954 167 Q CA 1.092 56.890 55.803 -0.007 0.000 0.885 167 Q CB -0.086 28.643 28.738 -0.016 0.000 0.963 167 Q HN 0.532 nan 8.270 nan 0.000 0.471 168 A N 0.441 123.274 122.820 0.022 0.000 2.168 168 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 168 A C 1.434 179.026 177.584 0.012 0.000 1.152 168 A CA 0.935 52.978 52.037 0.011 0.000 0.716 168 A CB -0.352 18.655 19.000 0.011 0.000 0.794 168 A HN 0.433 nan 8.150 nan 0.000 0.465 169 G N -2.221 106.606 108.800 0.045 0.000 2.203 169 G HA2 0.070 4.030 3.960 -0.000 0.000 0.231 169 G HA3 0.070 4.030 3.960 -0.000 0.000 0.231 169 G C 0.780 175.703 174.900 0.038 0.000 1.058 169 G CA 0.606 45.743 45.100 0.061 0.000 0.781 169 G HN 1.302 nan 8.290 nan 0.000 0.496 170 A N -1.051 121.800 122.820 0.053 0.000 2.030 170 A HA 0.489 4.809 4.320 -0.000 0.000 0.215 170 A C 2.441 180.044 177.584 0.032 0.000 1.164 170 A CA 1.970 53.975 52.037 -0.052 0.000 0.697 170 A CB -0.040 18.954 19.000 -0.010 0.000 0.827 170 A HN 1.039 nan 8.150 nan 0.000 0.457 171 V N 0.878 120.898 119.914 0.178 0.000 2.261 171 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 171 V C -0.164 175.975 176.094 0.075 0.000 1.047 171 V CA 2.607 65.011 62.300 0.172 0.000 1.015 171 V CB -1.414 30.421 31.823 0.022 0.000 0.642 171 V HN 0.345 nan 8.190 nan 0.000 0.446 172 P HA -0.172 nan 4.420 nan 0.000 0.216 172 P C 1.708 179.017 177.300 0.015 0.000 1.150 172 P CA 1.728 64.828 63.100 0.000 0.000 0.843 172 P CB -0.056 31.648 31.700 0.006 0.000 0.787 173 I N -2.716 117.844 120.570 -0.018 0.000 2.233 173 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 173 I C 2.057 178.170 176.117 -0.007 0.000 1.093 173 I CA 1.183 62.449 61.300 -0.058 0.000 1.380 173 I CB -0.699 37.203 38.000 -0.163 0.000 1.067 173 I HN -0.182 nan 8.210 nan 0.000 0.413 174 F N 0.868 120.841 119.950 0.038 0.000 2.192 174 F HA -0.218 4.308 4.527 -0.000 0.000 0.301 174 F C 2.324 178.142 175.800 0.030 0.000 1.079 174 F CA 1.442 59.468 58.000 0.043 0.000 1.303 174 F CB -0.719 38.306 39.000 0.043 0.000 1.024 174 F HN 0.001 nan 8.300 nan 0.000 0.494 175 I N -0.573 120.111 120.570 0.190 0.000 2.353 175 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 175 I C 2.126 178.288 176.117 0.075 0.000 1.119 175 I CA 1.063 62.422 61.300 0.097 0.000 1.417 175 I CB -0.389 37.633 38.000 0.038 0.000 1.078 175 I HN 0.132 nan 8.210 nan 0.000 0.421 176 E N 0.857 121.099 120.200 0.069 0.000 2.077 176 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 176 E C 2.243 178.891 176.600 0.080 0.000 0.989 176 E CA 1.110 57.545 56.400 0.058 0.000 0.800 176 E CB -0.130 29.597 29.700 0.044 0.000 0.746 176 E HN 0.446 nan 8.360 nan 0.000 0.452 177 L N 0.956 122.249 121.223 0.116 0.000 2.353 177 L HA -0.164 4.176 4.340 -0.000 0.000 0.220 177 L C 2.172 179.123 176.870 0.136 0.000 1.133 177 L CA 0.464 55.394 54.840 0.150 0.000 0.798 177 L CB -0.253 41.938 42.059 0.220 0.000 0.922 177 L HN 0.210 nan 8.230 nan 0.000 0.445 178 L N -1.165 120.124 121.223 0.110 0.000 2.353 178 L HA -0.153 4.187 4.340 -0.000 0.000 0.220 178 L C 1.942 178.836 176.870 0.040 0.000 1.133 178 L CA 0.748 55.627 54.840 0.067 0.000 0.798 178 L CB -0.298 41.785 42.059 0.041 0.000 0.922 178 L HN 0.180 nan 8.230 nan 0.000 0.445 179 S N -1.380 114.346 115.700 0.043 0.000 2.577 179 S HA 0.038 4.508 4.470 -0.000 0.000 0.219 179 S C 0.853 175.464 174.600 0.018 0.000 0.962 179 S CA -0.193 58.020 58.200 0.022 0.000 0.921 179 S CB 0.176 63.388 63.200 0.020 0.000 0.789 179 S HN 0.335 nan 8.310 nan 0.000 0.497 180 S N 1.444 117.173 115.700 0.048 0.000 2.576 180 S HA 0.062 4.532 4.470 -0.000 0.000 0.272 180 S C 1.143 175.713 174.600 -0.050 0.000 1.352 180 S CA -0.178 58.052 58.200 0.050 0.000 1.021 180 S CB 0.544 63.842 63.200 0.164 0.000 0.887 180 S HN 0.418 nan 8.310 nan 0.000 0.542 181 E N 1.380 121.448 120.200 -0.221 0.000 2.299 181 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 181 E C -0.499 175.835 176.600 -0.443 0.000 0.998 181 E CA 0.434 56.590 56.400 -0.407 0.000 0.851 181 E CB 0.071 29.395 29.700 -0.627 0.000 0.795 181 E HN 0.642 nan 8.360 nan 0.000 0.492 182 F N 1.494 121.447 119.950 0.006 0.000 2.404 182 F HA 0.156 4.683 4.527 -0.000 0.000 0.358 182 F C 1.483 177.273 175.800 -0.016 0.000 1.120 182 F CA -0.354 57.639 58.000 -0.012 0.000 1.144 182 F CB 0.837 39.831 39.000 -0.010 0.000 1.133 182 F HN -0.187 nan 8.300 nan 0.000 0.495 183 E N 1.547 121.805 120.200 0.095 0.000 2.338 183 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 183 E C 0.973 177.590 176.600 0.029 0.000 1.007 183 E CA 0.719 57.144 56.400 0.043 0.000 0.849 183 E CB 0.143 29.846 29.700 0.006 0.000 0.774 183 E HN 0.710 nan 8.360 nan 0.000 0.506 184 D N 0.015 120.401 120.400 -0.023 0.000 2.144 184 D HA -0.119 4.520 4.640 -0.000 0.000 0.200 184 D C 2.025 178.380 176.300 0.093 0.000 0.978 184 D CA 0.784 54.679 54.000 -0.175 0.000 0.833 184 D CB 0.072 40.476 40.800 -0.660 0.000 0.961 184 D HN 0.078 nan 8.370 nan 0.000 0.470 185 V N 0.893 120.911 119.914 0.174 0.000 2.346 185 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 185 V C 2.525 178.755 176.094 0.227 0.000 1.037 185 V CA 1.230 63.696 62.300 0.276 0.000 1.029 185 V CB -0.620 31.372 31.823 0.282 0.000 0.663 185 V HN 0.111 nan 8.190 nan 0.000 0.454 186 Q N -0.024 119.876 119.800 0.166 0.000 2.077 186 Q HA -0.319 4.021 4.340 -0.000 0.000 0.206 186 Q C 2.354 178.416 176.000 0.104 0.000 0.989 186 Q CA 2.358 58.229 55.803 0.113 0.000 0.853 186 Q CB -0.169 28.604 28.738 0.058 0.000 0.907 186 Q HN 0.745 nan 8.270 nan 0.000 0.418 187 E N 0.138 120.405 120.200 0.111 0.000 2.072 187 E HA -0.223 4.127 4.350 -0.000 0.000 0.190 187 E C 1.971 178.690 176.600 0.199 0.000 0.982 187 E CA 0.856 57.327 56.400 0.118 0.000 0.803 187 E CB 0.158 29.918 29.700 0.099 0.000 0.755 187 E HN 0.110 nan 8.360 nan 0.000 0.453 188 Q N 0.024 119.957 119.800 0.223 0.000 2.297 188 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 188 Q C 1.608 177.654 176.000 0.077 0.000 0.962 188 Q CA 1.246 57.154 55.803 0.174 0.000 0.879 188 Q CB -0.112 28.714 28.738 0.146 0.000 0.947 188 Q HN 0.346 nan 8.270 nan 0.000 0.462 189 A N -0.667 122.220 122.820 0.111 0.000 1.873 189 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 189 A C 2.172 179.691 177.584 -0.108 0.000 1.186 189 A CA 1.495 53.540 52.037 0.013 0.000 0.616 189 A CB -1.027 18.111 19.000 0.231 0.000 0.823 189 A HN 0.285 nan 8.150 nan 0.000 0.442 190 V N -1.049 118.884 119.914 0.031 0.000 2.515 190 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 190 V C 2.086 178.261 176.094 0.135 0.000 1.058 190 V CA 1.921 64.243 62.300 0.038 0.000 1.064 190 V CB -0.533 31.308 31.823 0.030 0.000 0.675 190 V HN 0.781 nan 8.190 nan 0.000 0.461 191 W N 1.087 122.387 121.300 0.000 0.000 2.332 191 W HA -0.209 4.451 4.660 -0.000 0.000 0.321 191 W C 2.525 179.061 176.519 0.028 0.000 1.219 191 W CA 2.586 59.996 57.345 0.108 0.000 1.277 191 W CB -1.133 28.314 29.460 -0.021 0.000 1.161 191 W HN 0.342 nan 8.180 nan 0.000 0.476 192 A N 0.408 123.247 122.820 0.032 0.000 1.908 192 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 192 A C 2.296 179.761 177.584 -0.198 0.000 1.181 192 A CA 2.055 53.929 52.037 -0.271 0.000 0.627 192 A CB -1.147 17.267 19.000 -0.977 0.000 0.818 192 A HN 0.356 nan 8.150 nan 0.000 0.445 193 L N -0.894 120.193 121.223 -0.227 0.000 2.201 193 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 193 L C 2.757 179.572 176.870 -0.092 0.000 1.105 193 L CA 0.782 55.547 54.840 -0.125 0.000 0.775 193 L CB -0.596 41.404 42.059 -0.099 0.000 0.913 193 L HN 0.488 nan 8.230 nan 0.000 0.440 194 G N -0.199 108.554 108.800 -0.080 0.000 2.402 194 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 194 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 194 G C 1.361 176.137 174.900 -0.208 0.000 1.162 194 G CA 0.603 45.477 45.100 -0.377 0.000 0.777 194 G HN 0.292 nan 8.290 nan 0.000 0.539 195 N N 0.747 119.553 118.700 0.176 0.000 2.043 195 N HA -0.066 4.674 4.740 -0.000 0.000 0.193 195 N C 2.206 177.759 175.510 0.071 0.000 1.037 195 N CA 0.945 54.121 53.050 0.210 0.000 0.851 195 N CB -0.333 38.296 38.487 0.237 0.000 1.027 195 N HN 0.365 nan 8.380 nan 0.000 0.422 196 I N 0.573 121.168 120.570 0.041 0.000 2.179 196 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 196 I C 2.219 178.346 176.117 0.017 0.000 1.088 196 I CA 1.103 62.433 61.300 0.050 0.000 1.357 196 I CB -0.328 37.721 38.000 0.081 0.000 1.051 196 I HN 0.090 nan 8.210 nan 0.000 0.409 197 A N 0.757 123.552 122.820 -0.041 0.000 1.902 197 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 197 A C 2.260 179.783 177.584 -0.102 0.000 1.181 197 A CA 1.786 53.776 52.037 -0.078 0.000 0.623 197 A CB -1.291 17.625 19.000 -0.141 0.000 0.818 197 A HN 0.475 nan 8.150 nan 0.000 0.443 198 G N -1.024 107.697 108.800 -0.131 0.000 3.124 198 G HA2 0.063 4.023 3.960 -0.000 0.000 0.212 198 G HA3 0.063 4.023 3.960 -0.000 0.000 0.212 198 G C 0.899 175.769 174.900 -0.050 0.000 1.181 198 G CA 0.949 45.976 45.100 -0.121 0.000 0.803 198 G HN 0.506 nan 8.290 nan 0.000 0.529 199 D N 0.444 120.831 120.400 -0.022 0.000 2.144 199 D HA 0.021 4.661 4.640 -0.000 0.000 0.207 199 D C 1.603 177.894 176.300 -0.015 0.000 0.970 199 D CA 1.278 55.277 54.000 -0.001 0.000 0.853 199 D CB 0.296 41.108 40.800 0.021 0.000 1.007 199 D HN 0.331 nan 8.370 nan 0.000 0.469 200 S N -2.944 112.745 115.700 -0.018 0.000 2.671 200 S HA 0.381 4.851 4.470 -0.000 0.000 0.277 200 S C 0.737 175.320 174.600 -0.029 0.000 1.165 200 S CA -0.384 57.802 58.200 -0.023 0.000 0.822 200 S CB 1.171 64.364 63.200 -0.011 0.000 1.150 200 S HN -0.070 nan 8.310 nan 0.000 0.479 201 T N 1.413 115.948 114.554 -0.031 0.000 2.788 201 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 201 T C 1.712 176.409 174.700 -0.005 0.000 1.044 201 T CA 2.143 64.225 62.100 -0.029 0.000 1.139 201 T CB -0.598 68.253 68.868 -0.028 0.000 0.867 201 T HN 0.548 nan 8.240 nan 0.000 0.454 202 M N 0.345 119.945 119.600 0.001 0.000 2.175 202 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 202 M C 2.555 178.885 176.300 0.049 0.000 1.063 202 M CA 1.109 56.418 55.300 0.015 0.000 1.119 202 M CB -0.728 31.869 32.600 -0.004 0.000 1.377 202 M HN 0.285 nan 8.290 nan 0.000 0.415 203 C N -0.430 118.900 119.300 0.048 0.000 2.457 203 C HA -0.059 4.401 4.460 -0.000 0.000 0.278 203 C C 2.824 177.878 174.990 0.106 0.000 1.309 203 C CA 0.687 59.769 59.018 0.106 0.000 1.735 203 C CB -0.945 26.838 27.740 0.072 0.000 1.992 203 C HN 0.559 nan 8.230 nan 0.000 0.493 204 R N 1.189 121.709 120.500 0.033 0.000 2.083 204 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 204 R C 1.522 177.828 176.300 0.010 0.000 1.137 204 R CA 2.063 58.159 56.100 -0.008 0.000 0.951 204 R CB -0.455 29.817 30.300 -0.046 0.000 0.851 204 R HN 0.452 nan 8.270 nan 0.000 0.434 205 D N -0.615 119.806 120.400 0.036 0.000 2.224 205 D HA -0.152 4.488 4.640 -0.000 0.000 0.205 205 D C 1.524 177.876 176.300 0.087 0.000 0.965 205 D CA 0.777 54.803 54.000 0.043 0.000 0.852 205 D CB -0.219 40.607 40.800 0.043 0.000 0.947 205 D HN 0.310 nan 8.370 nan 0.000 0.494 206 Y N 1.647 121.942 120.300 -0.008 0.000 2.163 206 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 206 Y C 2.132 178.036 175.900 0.005 0.000 1.136 206 Y CA 0.968 59.069 58.100 0.001 0.000 1.147 206 Y CB -0.509 37.955 38.460 0.006 0.000 0.987 206 Y HN -0.230 nan 8.280 nan 0.000 0.509 207 V N 0.762 120.581 119.914 -0.157 0.000 2.392 207 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 207 V C 2.551 178.553 176.094 -0.153 0.000 1.059 207 V CA 2.043 64.211 62.300 -0.220 0.000 1.051 207 V CB -0.830 30.935 31.823 -0.097 0.000 0.658 207 V HN 0.455 nan 8.190 nan 0.000 0.455 208 L N -0.338 120.833 121.223 -0.086 0.000 2.027 208 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 208 L C 2.314 179.147 176.870 -0.062 0.000 1.074 208 L CA 1.595 56.397 54.840 -0.063 0.000 0.745 208 L CB -0.688 41.348 42.059 -0.038 0.000 0.898 208 L HN 0.315 nan 8.230 nan 0.000 0.433 209 D N -0.722 119.649 120.400 -0.049 0.000 2.309 209 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 209 D C 1.890 178.151 176.300 -0.065 0.000 0.968 209 D CA 0.896 54.878 54.000 -0.029 0.000 0.882 209 D CB -0.213 40.605 40.800 0.030 0.000 0.918 209 D HN 0.379 nan 8.370 nan 0.000 0.503 210 C N 0.269 119.480 119.300 -0.149 0.000 2.576 210 C HA 0.095 4.555 4.460 -0.000 0.000 0.267 210 C C 0.407 175.345 174.990 -0.087 0.000 1.364 210 C CA -0.398 58.530 59.018 -0.150 0.000 1.723 210 C CB -1.928 25.647 27.740 -0.275 0.000 1.778 210 C HN 0.400 nan 8.230 nan 0.000 0.572 211 N N -0.438 118.222 118.700 -0.066 0.000 2.783 211 N HA -0.207 4.533 4.740 -0.000 0.000 0.247 211 N C 0.550 176.038 175.510 -0.037 0.000 1.089 211 N CA 0.552 53.578 53.050 -0.041 0.000 0.690 211 N CB -1.389 37.082 38.487 -0.026 0.000 0.991 211 N HN 0.646 nan 8.380 nan 0.000 0.552 212 I N -0.407 120.134 120.570 -0.048 0.000 2.361 212 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 212 I C 1.975 178.079 176.117 -0.022 0.000 1.133 212 I CA 1.150 62.430 61.300 -0.035 0.000 1.413 212 I CB 0.047 38.018 38.000 -0.048 0.000 1.073 212 I HN 0.406 nan 8.210 nan 0.000 0.424 213 L N 1.738 122.946 121.223 -0.025 0.000 1.976 213 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 213 L C -0.588 176.283 176.870 0.002 0.000 1.071 213 L CA 2.290 57.122 54.840 -0.015 0.000 0.746 213 L CB -1.882 40.160 42.059 -0.030 0.000 0.890 213 L HN 0.108 nan 8.230 nan 0.000 0.432 214 P HA -0.157 nan 4.420 nan 0.000 0.214 214 P C -1.366 175.943 177.300 0.016 0.000 1.169 214 P CA 2.446 65.552 63.100 0.010 0.000 0.908 214 P CB -1.450 30.254 31.700 0.005 0.000 0.791 215 P HA -0.120 nan 4.420 nan 0.000 0.218 215 P C 1.700 178.996 177.300 -0.007 0.000 1.149 215 P CA 1.002 64.106 63.100 0.005 0.000 0.817 215 P CB -0.373 31.331 31.700 0.007 0.000 0.785 216 L N -0.168 121.052 121.223 -0.006 0.000 2.046 216 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 216 L C 2.374 179.237 176.870 -0.010 0.000 1.077 216 L CA 1.710 56.535 54.840 -0.024 0.000 0.747 216 L CB -1.516 40.543 42.059 -0.000 0.000 0.896 216 L HN -0.167 nan 8.230 nan 0.000 0.432 217 L N -1.088 120.185 121.223 0.084 0.000 2.291 217 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 217 L C 2.421 179.398 176.870 0.178 0.000 1.120 217 L CA 0.647 55.616 54.840 0.215 0.000 0.799 217 L CB -0.437 41.706 42.059 0.140 0.000 0.925 217 L HN 0.358 nan 8.230 nan 0.000 0.446 218 Q N 0.391 120.231 119.800 0.067 0.000 2.297 218 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 218 Q C 2.157 178.158 176.000 0.001 0.000 0.962 218 Q CA 1.087 56.920 55.803 0.051 0.000 0.879 218 Q CB -0.092 28.661 28.738 0.025 0.000 0.947 218 Q HN 0.474 nan 8.270 nan 0.000 0.462 219 L N -1.034 120.121 121.223 -0.114 0.000 2.083 219 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 219 L C 1.622 178.349 176.870 -0.238 0.000 1.083 219 L CA 1.130 55.830 54.840 -0.233 0.000 0.752 219 L CB -0.428 41.394 42.059 -0.396 0.000 0.899 219 L HN 0.262 nan 8.230 nan 0.000 0.433 220 F N -0.779 119.200 119.950 0.050 0.000 2.407 220 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 220 F C 1.971 177.824 175.800 0.088 0.000 1.097 220 F CA 0.309 58.351 58.000 0.071 0.000 1.422 220 F CB -0.260 38.789 39.000 0.082 0.000 1.067 220 F HN -0.107 nan 8.300 nan 0.000 0.539 221 S N 1.510 117.348 115.700 0.231 0.000 3.122 221 S HA 0.157 4.627 4.470 -0.000 0.000 0.249 221 S C -0.157 174.501 174.600 0.096 0.000 1.334 221 S CA -0.270 58.032 58.200 0.171 0.000 1.251 221 S CB -1.240 62.051 63.200 0.152 0.000 1.034 221 S HN 0.399 nan 8.310 nan 0.000 0.478 222 K N -0.844 119.609 120.400 0.088 0.000 2.711 222 K HA 0.228 4.548 4.320 -0.000 0.000 0.294 222 K C -1.692 174.939 176.600 0.052 0.000 1.037 222 K CA -1.085 55.233 56.287 0.051 0.000 0.858 222 K CB 0.548 33.062 32.500 0.023 0.000 1.521 222 K HN -0.103 nan 8.250 nan 0.000 0.386 223 Q N 1.521 121.342 119.800 0.034 0.000 2.513 223 Q HA 0.196 4.536 4.340 -0.000 0.000 0.227 223 Q C -0.869 175.145 176.000 0.023 0.000 1.257 223 Q CA -0.185 55.637 55.803 0.033 0.000 0.915 223 Q CB 0.080 28.831 28.738 0.021 0.000 1.507 223 Q HN 0.269 nan 8.270 nan 0.000 0.543 224 N N 1.342 120.060 118.700 0.029 0.000 2.459 224 N HA 0.287 5.026 4.740 -0.000 0.000 0.288 224 N C -0.385 175.134 175.510 0.016 0.000 1.186 224 N CA -0.836 52.220 53.050 0.010 0.000 0.917 224 N CB 1.013 39.493 38.487 -0.010 0.000 1.219 224 N HN 0.379 nan 8.380 nan 0.000 0.525 225 R N 0.406 120.909 120.500 0.005 0.000 2.758 225 R HA -0.042 4.298 4.340 -0.000 0.000 0.263 225 R C 1.114 177.422 176.300 0.014 0.000 1.010 225 R CA -0.225 55.879 56.100 0.007 0.000 1.114 225 R CB 0.187 30.486 30.300 -0.002 0.000 0.985 225 R HN 0.510 nan 8.270 nan 0.000 0.439 226 L N 2.908 124.141 121.223 0.017 0.000 2.056 226 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 226 L C 2.311 179.187 176.870 0.009 0.000 1.078 226 L CA 2.564 57.417 54.840 0.023 0.000 0.749 226 L CB -0.636 41.435 42.059 0.021 0.000 0.901 226 L HN 1.017 nan 8.230 nan 0.000 0.433 227 T N -3.334 111.215 114.554 -0.008 0.000 2.929 227 T HA -0.258 4.092 4.350 -0.000 0.000 0.271 227 T C 1.768 176.445 174.700 -0.038 0.000 1.085 227 T CA 1.474 63.554 62.100 -0.034 0.000 1.125 227 T CB -0.504 68.345 68.868 -0.031 0.000 0.874 227 T HN 0.340 nan 8.240 nan 0.000 0.494 228 M N 2.179 121.768 119.600 -0.019 0.000 2.123 228 M HA 0.053 4.533 4.480 -0.000 0.000 0.263 228 M C 2.161 178.439 176.300 -0.036 0.000 1.069 228 M CA 1.733 57.014 55.300 -0.032 0.000 1.133 228 M CB -1.122 31.456 32.600 -0.038 0.000 1.356 228 M HN 0.180 nan 8.290 nan 0.000 0.415 229 T N 0.652 115.215 114.554 0.015 0.000 2.746 229 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 229 T C 1.910 176.706 174.700 0.159 0.000 1.039 229 T CA 1.806 63.979 62.100 0.122 0.000 1.142 229 T CB -0.314 68.658 68.868 0.173 0.000 0.866 229 T HN 0.446 nan 8.240 nan 0.000 0.444 230 R N 1.058 121.600 120.500 0.070 0.000 2.073 230 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 230 R C 2.564 178.892 176.300 0.046 0.000 1.134 230 R CA 1.236 57.363 56.100 0.045 0.000 0.952 230 R CB -0.247 30.031 30.300 -0.037 0.000 0.850 230 R HN 0.300 nan 8.270 nan 0.000 0.433 231 N N 0.596 119.280 118.700 -0.027 0.000 2.120 231 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 231 N C 1.654 177.236 175.510 0.119 0.000 1.024 231 N CA 1.573 54.611 53.050 -0.022 0.000 0.852 231 N CB -0.203 38.228 38.487 -0.094 0.000 1.003 231 N HN 0.229 nan 8.380 nan 0.000 0.424 232 A N 0.598 123.452 122.820 0.058 0.000 1.930 232 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 232 A C 2.434 180.184 177.584 0.276 0.000 1.175 232 A CA 1.160 53.214 52.037 0.029 0.000 0.627 232 A CB -0.494 18.264 19.000 -0.403 0.000 0.815 232 A HN 0.125 nan 8.150 nan 0.000 0.443 233 V N -2.278 117.869 119.914 0.388 0.000 2.453 233 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 233 V C 2.177 178.394 176.094 0.206 0.000 1.048 233 V CA 1.461 63.946 62.300 0.309 0.000 1.049 233 V CB -1.217 30.735 31.823 0.214 0.000 0.672 233 V HN 0.848 nan 8.190 nan 0.000 0.457 234 W N 1.739 123.059 121.300 0.034 0.000 2.335 234 W HA -0.195 4.464 4.660 -0.000 0.000 0.311 234 W C 2.472 178.987 176.519 -0.007 0.000 1.213 234 W CA 2.225 59.562 57.345 -0.013 0.000 1.274 234 W CB -0.468 28.925 29.460 -0.111 0.000 1.148 234 W HN 0.186 nan 8.180 nan 0.000 0.498 235 A N 0.333 123.047 122.820 -0.177 0.000 1.883 235 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 235 A C 1.993 179.421 177.584 -0.260 0.000 1.186 235 A CA 1.929 53.736 52.037 -0.384 0.000 0.624 235 A CB -1.331 17.597 19.000 -0.120 0.000 0.822 235 A HN 0.429 nan 8.150 nan 0.000 0.444 236 L N 0.922 122.101 121.223 -0.072 0.000 2.131 236 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 236 L C 2.712 179.559 176.870 -0.039 0.000 1.092 236 L CA 2.656 57.484 54.840 -0.020 0.000 0.759 236 L CB -0.610 41.499 42.059 0.083 0.000 0.903 236 L HN 0.543 nan 8.230 nan 0.000 0.435 237 S N -1.455 114.219 115.700 -0.045 0.000 2.387 237 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 237 S C 1.836 176.434 174.600 -0.004 0.000 1.026 237 S CA 0.907 59.150 58.200 0.072 0.000 0.972 237 S CB -0.715 62.575 63.200 0.149 0.000 0.814 237 S HN 0.492 nan 8.310 nan 0.000 0.477 238 N N 1.902 120.449 118.700 -0.256 0.000 2.289 238 N HA 0.110 4.850 4.740 -0.000 0.000 0.184 238 N C 1.552 176.930 175.510 -0.221 0.000 1.016 238 N CA 0.881 53.741 53.050 -0.316 0.000 0.872 238 N CB -0.606 37.579 38.487 -0.503 0.000 0.973 238 N HN 0.456 nan 8.380 nan 0.000 0.433 239 L N -0.543 120.584 121.223 -0.161 0.000 2.217 239 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 239 L C 1.687 178.512 176.870 -0.074 0.000 1.107 239 L CA 0.609 55.384 54.840 -0.108 0.000 0.783 239 L CB -0.087 41.921 42.059 -0.085 0.000 0.919 239 L HN 0.197 nan 8.230 nan 0.000 0.442 240 C N -1.335 117.944 119.300 -0.034 0.000 2.563 240 C HA 0.069 4.529 4.460 -0.000 0.000 0.268 240 C C 1.715 176.664 174.990 -0.069 0.000 1.365 240 C CA -0.591 58.447 59.018 0.034 0.000 1.754 240 C CB -0.860 26.986 27.740 0.176 0.000 1.932 240 C HN 0.307 nan 8.230 nan 0.000 0.536 241 R N 0.976 121.292 120.500 -0.307 0.000 2.637 241 R HA 0.474 4.814 4.340 -0.000 0.000 0.269 241 R C 0.172 176.235 176.300 -0.395 0.000 1.089 241 R CA 1.276 56.926 56.100 -0.749 0.000 1.177 241 R CB 0.141 29.973 30.300 -0.781 0.000 1.091 241 R HN 0.458 nan 8.270 nan 0.000 0.540 242 G N 1.808 110.377 108.800 -0.385 0.000 3.225 242 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 242 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 242 G C -0.328 174.508 174.900 -0.107 0.000 1.105 242 G CA -0.111 44.873 45.100 -0.193 0.000 0.831 242 G HN 0.668 nan 8.290 nan 0.000 0.578 243 K N -0.437 119.920 120.400 -0.071 0.000 2.367 243 K HA 0.406 4.726 4.320 -0.000 0.000 0.195 243 K C 0.650 177.238 176.600 -0.021 0.000 1.060 243 K CA 0.754 57.023 56.287 -0.029 0.000 1.022 243 K CB 0.313 32.803 32.500 -0.018 0.000 0.894 243 K HN 0.467 nan 8.250 nan 0.000 0.540 244 S N 2.713 118.396 115.700 -0.028 0.000 2.496 244 S HA 0.297 4.767 4.470 -0.000 0.000 0.221 244 S C -2.585 172.003 174.600 -0.019 0.000 1.260 244 S CA -1.133 57.056 58.200 -0.019 0.000 1.181 244 S CB 1.624 64.813 63.200 -0.017 0.000 1.136 244 S HN 0.163 nan 8.310 nan 0.000 0.467 245 P HA 0.488 nan 4.420 nan 0.000 0.276 245 P C -2.884 174.412 177.300 -0.007 0.000 1.244 245 P CA -1.526 61.570 63.100 -0.006 0.000 0.801 245 P CB -0.116 31.584 31.700 0.000 0.000 1.006 246 P HA 0.248 nan 4.420 nan 0.000 0.276 246 P C -2.395 174.923 177.300 0.028 0.000 1.252 246 P CA -1.641 61.468 63.100 0.015 0.000 0.802 246 P CB -0.880 30.841 31.700 0.036 0.000 1.035 247 P HA 0.087 nan 4.420 nan 0.000 0.272 247 P C -0.061 177.285 177.300 0.077 0.000 1.230 247 P CA -0.064 63.059 63.100 0.037 0.000 0.788 247 P CB 0.406 32.117 31.700 0.018 0.000 0.949 248 E N 0.952 121.188 120.200 0.061 0.000 2.498 248 E HA -0.082 4.268 4.350 -0.000 0.000 0.252 248 E C 0.379 177.049 176.600 0.117 0.000 1.025 248 E CA -0.175 56.275 56.400 0.083 0.000 0.938 248 E CB -0.152 29.578 29.700 0.050 0.000 0.947 248 E HN 0.290 nan 8.360 nan 0.000 0.478 249 F N 4.652 124.600 119.950 -0.003 0.000 2.161 249 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 249 F C 2.007 177.804 175.800 -0.006 0.000 1.089 249 F CA 1.792 59.790 58.000 -0.003 0.000 1.282 249 F CB -0.228 38.771 39.000 -0.001 0.000 1.010 249 F HN 0.652 nan 8.300 nan 0.000 0.485 250 A N -0.388 122.458 122.820 0.044 0.000 2.070 250 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 250 A C 2.203 179.737 177.584 -0.083 0.000 1.159 250 A CA 1.530 53.546 52.037 -0.035 0.000 0.656 250 A CB -0.570 18.445 19.000 0.025 0.000 0.800 250 A HN 0.448 nan 8.150 nan 0.000 0.453 251 K N -1.245 119.115 120.400 -0.067 0.000 2.167 251 K HA 0.070 4.389 4.320 -0.000 0.000 0.203 251 K C 1.520 178.053 176.600 -0.111 0.000 1.052 251 K CA 1.165 57.411 56.287 -0.068 0.000 0.956 251 K CB -0.006 32.472 32.500 -0.037 0.000 0.735 251 K HN 0.280 nan 8.250 nan 0.000 0.451 252 V N 0.588 120.395 119.914 -0.177 0.000 3.455 252 V HA -0.088 4.031 4.120 -0.000 0.000 0.250 252 V C 1.797 177.700 176.094 -0.318 0.000 1.230 252 V CA 0.950 63.129 62.300 -0.201 0.000 1.105 252 V CB 0.612 32.349 31.823 -0.145 0.000 0.850 252 V HN 0.308 nan 8.190 nan 0.000 0.461 253 S N 1.061 116.443 115.700 -0.531 0.000 2.469 253 S HA -0.044 4.426 4.470 -0.000 0.000 0.238 253 S C -0.362 174.058 174.600 -0.301 0.000 0.998 253 S CA 1.105 58.955 58.200 -0.583 0.000 0.957 253 S CB -1.540 61.151 63.200 -0.849 0.000 0.764 253 S HN 0.539 nan 8.310 nan 0.000 0.514 254 P HA 0.006 nan 4.420 nan 0.000 0.223 254 P C 1.746 178.948 177.300 -0.164 0.000 1.144 254 P CA 0.984 63.995 63.100 -0.149 0.000 0.783 254 P CB -0.588 31.051 31.700 -0.101 0.000 0.771 255 C N -3.078 116.115 119.300 -0.178 0.000 2.522 255 C HA 0.153 4.613 4.460 -0.000 0.000 0.271 255 C C 2.352 177.178 174.990 -0.274 0.000 1.425 255 C CA -0.338 58.564 59.018 -0.193 0.000 1.751 255 C CB -2.160 25.495 27.740 -0.142 0.000 1.775 255 C HN 0.089 nan 8.230 nan 0.000 0.557 256 L N 1.546 122.614 121.223 -0.258 0.000 2.127 256 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 256 L C 2.568 179.202 176.870 -0.394 0.000 1.089 256 L CA 1.480 56.165 54.840 -0.258 0.000 0.757 256 L CB -0.695 41.260 42.059 -0.173 0.000 0.899 256 L HN 0.390 nan 8.230 nan 0.000 0.434 257 N N -0.444 117.943 118.700 -0.522 0.000 2.084 257 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 257 N C 1.853 176.345 175.510 -1.697 0.000 1.030 257 N CA 1.233 53.668 53.050 -1.025 0.000 0.849 257 N CB -0.425 37.503 38.487 -0.933 0.000 1.012 257 N HN 0.052 nan 8.380 nan 0.000 0.423 258 V N 1.019 120.287 119.914 -1.077 0.000 2.295 258 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 258 V C 2.248 177.995 176.094 -0.578 0.000 1.049 258 V CA 1.033 62.867 62.300 -0.776 0.000 1.024 258 V CB -0.454 31.047 31.823 -0.536 0.000 0.648 258 V HN 0.191 nan 8.190 nan 0.000 0.447 259 L N 0.085 121.021 121.223 -0.479 0.000 2.043 259 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 259 L C 2.724 179.447 176.870 -0.245 0.000 1.075 259 L CA 2.242 56.891 54.840 -0.318 0.000 0.752 259 L CB -1.406 40.509 42.059 -0.239 0.000 0.891 259 L HN 0.398 nan 8.230 nan 0.000 0.432 260 S N -1.514 114.003 115.700 -0.306 0.000 2.356 260 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 260 S C 1.800 176.480 174.600 0.135 0.000 1.032 260 S CA 1.263 59.386 58.200 -0.127 0.000 1.005 260 S CB -0.244 62.873 63.200 -0.138 0.000 0.867 260 S HN 0.492 nan 8.310 nan 0.000 0.449 261 W N 1.280 122.624 121.300 0.072 0.000 2.436 261 W HA 0.237 4.897 4.660 0.000 0.000 0.284 261 W C 1.963 178.575 176.519 0.156 0.000 1.225 261 W CA -0.234 57.221 57.345 0.182 0.000 1.271 261 W CB -1.434 28.069 29.460 0.071 0.000 1.114 261 W HN 0.318 nan 8.180 nan 0.000 0.559 262 L N 0.230 121.541 121.223 0.148 0.000 2.362 262 L HA -0.136 4.204 4.340 -0.000 0.000 0.219 262 L C 2.114 178.994 176.870 0.018 0.000 1.134 262 L CA 0.690 55.557 54.840 0.045 0.000 0.807 262 L CB -0.674 41.314 42.059 -0.118 0.000 0.927 262 L HN -0.101 nan 8.230 nan 0.000 0.447 263 L N -1.488 119.705 121.223 -0.051 0.000 2.549 263 L HA -0.142 4.198 4.340 -0.000 0.000 0.229 263 L C 1.739 178.425 176.870 -0.307 0.000 1.158 263 L CA 0.811 55.531 54.840 -0.201 0.000 0.842 263 L CB -0.350 41.525 42.059 -0.306 0.000 0.952 263 L HN 0.216 nan 8.230 nan 0.000 0.452 264 F N -1.175 118.800 119.950 0.043 0.000 2.743 264 F HA 0.052 4.579 4.527 -0.000 0.000 0.297 264 F C 1.248 177.070 175.800 0.036 0.000 1.131 264 F CA -0.208 57.815 58.000 0.040 0.000 1.426 264 F CB 0.014 39.042 39.000 0.046 0.000 1.116 264 F HN -0.248 nan 8.300 nan 0.000 0.583 265 V N 0.504 120.514 119.914 0.160 0.000 3.051 265 V HA -0.017 4.103 4.120 -0.000 0.000 0.306 265 V C 1.276 177.417 176.094 0.079 0.000 1.083 265 V CA 0.754 63.121 62.300 0.113 0.000 1.104 265 V CB 1.490 33.370 31.823 0.095 0.000 1.027 265 V HN 0.327 nan 8.190 nan 0.000 0.483 266 S N 0.347 116.092 115.700 0.075 0.000 2.497 266 S HA 0.045 4.515 4.470 -0.000 0.000 0.218 266 S C 0.562 175.204 174.600 0.071 0.000 1.023 266 S CA 0.018 58.261 58.200 0.072 0.000 0.913 266 S CB -0.181 63.055 63.200 0.060 0.000 0.800 266 S HN 0.816 nan 8.310 nan 0.000 0.505 267 D N 2.169 122.602 120.400 0.056 0.000 2.487 267 D HA 0.184 4.824 4.640 -0.000 0.000 0.243 267 D C 1.032 177.350 176.300 0.030 0.000 1.154 267 D CA 0.577 54.603 54.000 0.044 0.000 0.876 267 D CB 0.939 41.763 40.800 0.040 0.000 1.161 267 D HN 0.088 nan 8.370 nan 0.000 0.478 268 T N 2.695 117.265 114.554 0.027 0.000 2.720 268 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 268 T C 1.026 175.706 174.700 -0.033 0.000 1.037 268 T CA 1.242 63.330 62.100 -0.020 0.000 1.144 268 T CB -0.147 68.725 68.868 0.006 0.000 0.864 268 T HN 0.478 nan 8.240 nan 0.000 0.444 269 D N 0.651 121.050 120.400 -0.003 0.000 2.117 269 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 269 D C 2.261 178.579 176.300 0.029 0.000 0.987 269 D CA 0.631 54.636 54.000 0.008 0.000 0.829 269 D CB -0.548 40.248 40.800 -0.007 0.000 0.961 269 D HN 0.220 nan 8.370 nan 0.000 0.460 270 V N 1.076 121.008 119.914 0.029 0.000 2.270 270 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 270 V C 2.697 178.799 176.094 0.014 0.000 1.043 270 V CA 1.062 63.390 62.300 0.047 0.000 1.014 270 V CB -0.547 31.312 31.823 0.059 0.000 0.645 270 V HN 0.178 nan 8.190 nan 0.000 0.447 271 L N 0.266 121.476 121.223 -0.023 0.000 1.990 271 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 271 L C 2.771 179.581 176.870 -0.099 0.000 1.072 271 L CA 1.953 56.747 54.840 -0.077 0.000 0.755 271 L CB -0.923 41.066 42.059 -0.116 0.000 0.889 271 L HN 0.390 nan 8.230 nan 0.000 0.432 272 A N -0.364 122.407 122.820 -0.083 0.000 1.908 272 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 272 A C 1.956 179.581 177.584 0.068 0.000 1.181 272 A CA 2.122 54.118 52.037 -0.067 0.000 0.627 272 A CB -0.529 18.479 19.000 0.014 0.000 0.818 272 A HN 0.407 nan 8.150 nan 0.000 0.445 273 D N -0.187 120.305 120.400 0.155 0.000 2.149 273 D HA 0.033 4.673 4.640 -0.000 0.000 0.201 273 D C 2.234 178.605 176.300 0.117 0.000 0.972 273 D CA 1.273 55.415 54.000 0.237 0.000 0.835 273 D CB -0.380 40.559 40.800 0.232 0.000 0.966 273 D HN 0.417 nan 8.370 nan 0.000 0.476 274 A N 0.445 123.277 122.820 0.019 0.000 1.902 274 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 274 A C 2.521 180.054 177.584 -0.085 0.000 1.181 274 A CA 1.252 53.258 52.037 -0.051 0.000 0.623 274 A CB -0.899 18.047 19.000 -0.089 0.000 0.818 274 A HN 0.331 nan 8.150 nan 0.000 0.443 275 C N -2.880 116.340 119.300 -0.133 0.000 2.446 275 C HA -0.114 4.345 4.460 -0.000 0.000 0.277 275 C C 2.417 177.242 174.990 -0.276 0.000 1.275 275 C CA 0.431 59.309 59.018 -0.233 0.000 1.727 275 C CB -1.744 25.796 27.740 -0.332 0.000 2.010 275 C HN 0.829 nan 8.230 nan 0.000 0.486 276 W N 1.094 122.261 121.300 -0.222 0.000 2.335 276 W HA -0.139 4.521 4.660 0.000 0.000 0.311 276 W C 2.699 178.848 176.519 -0.617 0.000 1.213 276 W CA 1.219 58.300 57.345 -0.439 0.000 1.274 276 W CB -0.598 28.683 29.460 -0.297 0.000 1.148 276 W HN 0.284 nan 8.180 nan 0.000 0.498 277 A N 0.364 123.176 122.820 -0.014 0.000 1.873 277 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 277 A C 1.927 179.509 177.584 -0.003 0.000 1.193 277 A CA 1.931 53.995 52.037 0.046 0.000 0.629 277 A CB -1.214 17.814 19.000 0.047 0.000 0.826 277 A HN 0.318 nan 8.150 nan 0.000 0.447 278 L N 0.309 121.496 121.223 -0.059 0.000 2.079 278 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 278 L C 3.031 179.880 176.870 -0.033 0.000 1.081 278 L CA 1.671 56.483 54.840 -0.046 0.000 0.752 278 L CB -0.468 41.540 42.059 -0.085 0.000 0.896 278 L HN 0.673 nan 8.230 nan 0.000 0.433 279 S N -0.969 114.660 115.700 -0.118 0.000 2.402 279 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 279 S C 1.926 176.558 174.600 0.055 0.000 1.021 279 S CA 0.768 58.920 58.200 -0.079 0.000 0.974 279 S CB -0.587 62.513 63.200 -0.168 0.000 0.800 279 S HN 0.494 nan 8.310 nan 0.000 0.484 280 Y N 1.174 121.558 120.300 0.139 0.000 2.220 280 Y HA 0.167 4.717 4.550 0.000 0.000 0.291 280 Y C 2.354 178.324 175.900 0.117 0.000 1.129 280 Y CA 0.557 58.727 58.100 0.117 0.000 1.161 280 Y CB -0.234 38.283 38.460 0.095 0.000 0.997 280 Y HN 0.209 nan 8.280 nan 0.000 0.522 281 L N -0.276 121.111 121.223 0.273 0.000 2.201 281 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 281 L C 2.174 179.187 176.870 0.239 0.000 1.105 281 L CA 1.399 56.424 54.840 0.308 0.000 0.775 281 L CB -0.371 41.835 42.059 0.246 0.000 0.913 281 L HN 0.227 nan 8.230 nan 0.000 0.440 282 S N -2.959 112.826 115.700 0.141 0.000 2.556 282 S HA 0.017 4.487 4.470 -0.000 0.000 0.216 282 S C 0.570 175.206 174.600 0.059 0.000 0.970 282 S CA -0.435 57.808 58.200 0.070 0.000 0.912 282 S CB -0.173 63.053 63.200 0.043 0.000 0.790 282 S HN 0.209 nan 8.310 nan 0.000 0.504 283 D N 1.698 122.159 120.400 0.102 0.000 2.336 283 D HA 0.567 5.207 4.640 -0.000 0.000 0.249 283 D C 0.539 176.863 176.300 0.041 0.000 1.213 283 D CA 1.145 55.204 54.000 0.098 0.000 0.870 283 D CB 0.359 41.251 40.800 0.152 0.000 1.076 283 D HN 0.481 nan 8.370 nan 0.000 0.483 284 G N 3.422 112.226 108.800 0.007 0.000 2.302 284 G HA2 0.013 3.973 3.960 -0.000 0.000 0.276 284 G HA3 0.013 3.973 3.960 -0.000 0.000 0.276 284 G C -2.693 172.166 174.900 -0.067 0.000 1.316 284 G CA -0.903 44.174 45.100 -0.038 0.000 0.988 284 G HN 0.445 nan 8.290 nan 0.000 0.479 285 P HA 0.270 nan 4.420 nan 0.000 0.271 285 P C 0.486 177.719 177.300 -0.111 0.000 1.244 285 P CA -0.430 62.614 63.100 -0.094 0.000 0.793 285 P CB 0.376 32.016 31.700 -0.100 0.000 0.984 286 N N 0.424 119.073 118.700 -0.085 0.000 2.459 286 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 286 N C 1.009 176.467 175.510 -0.087 0.000 1.046 286 N CA 0.806 53.811 53.050 -0.075 0.000 0.904 286 N CB -0.551 37.904 38.487 -0.053 0.000 0.964 286 N HN 0.549 nan 8.380 nan 0.000 0.444 287 D N 0.661 120.996 120.400 -0.110 0.000 2.183 287 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 287 D C 1.331 177.516 176.300 -0.193 0.000 0.969 287 D CA 1.071 55.002 54.000 -0.114 0.000 0.842 287 D CB -0.211 40.534 40.800 -0.092 0.000 0.957 287 D HN 0.145 nan 8.370 nan 0.000 0.484 288 K N 0.218 120.407 120.400 -0.351 0.000 2.062 288 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 288 K C 2.445 178.937 176.600 -0.180 0.000 1.051 288 K CA 0.806 56.742 56.287 -0.586 0.000 0.941 288 K CB -0.034 31.989 32.500 -0.796 0.000 0.719 288 K HN 0.201 nan 8.250 nan 0.000 0.440 289 I N 1.564 122.065 120.570 -0.114 0.000 2.286 289 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 289 I C 2.857 178.965 176.117 -0.015 0.000 1.115 289 I CA 1.228 62.503 61.300 -0.042 0.000 1.392 289 I CB -0.295 37.676 38.000 -0.048 0.000 1.065 289 I HN 0.284 nan 8.210 nan 0.000 0.418 290 Q N 1.272 121.058 119.800 -0.024 0.000 2.077 290 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 290 Q C 2.318 178.338 176.000 0.033 0.000 0.989 290 Q CA 2.321 58.123 55.803 -0.001 0.000 0.853 290 Q CB -0.154 28.580 28.738 -0.007 0.000 0.907 290 Q HN 0.552 nan 8.270 nan 0.000 0.418 291 A N -0.231 122.633 122.820 0.074 0.000 1.930 291 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 291 A C 2.177 179.825 177.584 0.108 0.000 1.175 291 A CA 1.436 53.554 52.037 0.135 0.000 0.627 291 A CB -0.528 18.668 19.000 0.326 0.000 0.815 291 A HN 0.321 nan 8.150 nan 0.000 0.443 292 V N 0.122 120.101 119.914 0.108 0.000 2.358 292 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 292 V C 2.377 178.483 176.094 0.020 0.000 1.047 292 V CA 1.867 64.204 62.300 0.062 0.000 1.035 292 V CB -0.642 31.220 31.823 0.064 0.000 0.658 292 V HN 0.567 nan 8.190 nan 0.000 0.452 293 I N 0.131 120.710 120.570 0.016 0.000 2.252 293 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 293 I C 2.225 178.351 176.117 0.015 0.000 1.102 293 I CA 1.410 62.713 61.300 0.005 0.000 1.385 293 I CB -0.499 37.501 38.000 -0.002 0.000 1.064 293 I HN 0.286 nan 8.210 nan 0.000 0.414 294 D N 1.255 121.669 120.400 0.023 0.000 2.221 294 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 294 D C 2.144 178.463 176.300 0.031 0.000 0.982 294 D CA 1.395 55.413 54.000 0.029 0.000 0.857 294 D CB -0.104 40.717 40.800 0.035 0.000 0.934 294 D HN 0.360 nan 8.370 nan 0.000 0.475 295 A N -0.389 122.441 122.820 0.016 0.000 2.172 295 A HA 0.264 4.584 4.320 -0.000 0.000 0.216 295 A C 1.937 179.543 177.584 0.037 0.000 1.154 295 A CA 1.549 53.587 52.037 0.001 0.000 0.701 295 A CB -0.268 18.698 19.000 -0.056 0.000 0.789 295 A HN 0.303 nan 8.150 nan 0.000 0.465 296 G N -1.740 107.084 108.800 0.040 0.000 2.175 296 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 296 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 296 G C 1.097 176.018 174.900 0.034 0.000 0.982 296 G CA 0.744 45.880 45.100 0.061 0.000 0.641 296 G HN 1.537 nan 8.290 nan 0.000 0.527 297 V N -2.130 117.781 119.914 -0.005 0.000 3.305 297 V HA 0.017 4.137 4.120 -0.000 0.000 0.269 297 V C 2.443 178.500 176.094 -0.062 0.000 1.157 297 V CA 1.785 64.056 62.300 -0.048 0.000 1.157 297 V CB -0.963 30.818 31.823 -0.070 0.000 0.772 297 V HN 0.485 nan 8.190 nan 0.000 0.498 298 C N 0.192 119.467 119.300 -0.041 0.000 2.446 298 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 298 C C 2.908 177.864 174.990 -0.056 0.000 1.275 298 C CA 1.677 60.665 59.018 -0.049 0.000 1.727 298 C CB -1.081 26.636 27.740 -0.037 0.000 2.010 298 C HN 0.704 nan 8.230 nan 0.000 0.486 299 R N 0.459 120.933 120.500 -0.043 0.000 2.073 299 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 299 R C 2.480 178.733 176.300 -0.079 0.000 1.134 299 R CA 1.268 57.341 56.100 -0.044 0.000 0.952 299 R CB -0.155 30.136 30.300 -0.014 0.000 0.850 299 R HN 0.380 nan 8.270 nan 0.000 0.433 300 R N 0.350 120.773 120.500 -0.128 0.000 2.081 300 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 300 R C 2.194 178.405 176.300 -0.148 0.000 1.131 300 R CA 0.797 56.780 56.100 -0.195 0.000 0.960 300 R CB -0.850 29.229 30.300 -0.368 0.000 0.856 300 R HN 0.218 nan 8.270 nan 0.000 0.436 301 L N 0.415 121.559 121.223 -0.131 0.000 2.013 301 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 301 L C 2.407 179.221 176.870 -0.093 0.000 1.073 301 L CA 1.463 56.233 54.840 -0.116 0.000 0.753 301 L CB -0.896 41.099 42.059 -0.107 0.000 0.890 301 L HN -0.083 nan 8.230 nan 0.000 0.432 302 V N -1.088 118.778 119.914 -0.079 0.000 2.667 302 V HA -0.207 3.913 4.120 -0.000 0.000 0.252 302 V C 2.323 178.385 176.094 -0.053 0.000 1.065 302 V CA 1.164 63.426 62.300 -0.063 0.000 1.083 302 V CB -0.485 31.304 31.823 -0.057 0.000 0.692 302 V HN 0.478 nan 8.190 nan 0.000 0.468 303 E N 0.094 120.258 120.200 -0.059 0.000 2.150 303 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 303 E C 2.066 178.647 176.600 -0.032 0.000 0.985 303 E CA 0.868 57.239 56.400 -0.050 0.000 0.814 303 E CB -0.093 29.572 29.700 -0.058 0.000 0.752 303 E HN 0.503 nan 8.360 nan 0.000 0.466 304 L N 0.843 122.044 121.223 -0.037 0.000 2.478 304 L HA -0.068 4.272 4.340 -0.000 0.000 0.223 304 L C 2.015 178.894 176.870 0.016 0.000 1.140 304 L CA 0.149 54.990 54.840 0.003 0.000 0.842 304 L CB -0.118 41.907 42.059 -0.057 0.000 0.953 304 L HN 0.177 nan 8.230 nan 0.000 0.452 305 L N -0.840 120.378 121.223 -0.008 0.000 2.187 305 L HA -0.192 4.147 4.340 -0.000 0.000 0.213 305 L C 2.008 178.912 176.870 0.056 0.000 1.100 305 L CA 0.926 55.776 54.840 0.016 0.000 0.765 305 L CB -0.323 41.737 42.059 0.002 0.000 0.904 305 L HN 0.380 nan 8.230 nan 0.000 0.437 306 M N -1.593 118.021 119.600 0.025 0.000 2.505 306 M HA 0.079 4.559 4.480 -0.000 0.000 0.230 306 M C 0.687 176.987 176.300 -0.000 0.000 1.153 306 M CA 0.250 55.545 55.300 -0.009 0.000 0.997 306 M CB -1.116 31.436 32.600 -0.079 0.000 1.606 306 M HN 0.134 nan 8.290 nan 0.000 0.481 307 H N 1.191 120.235 119.070 -0.043 0.000 2.771 307 H HA 0.065 4.621 4.556 -0.000 0.000 0.364 307 H C 0.587 175.872 175.328 -0.072 0.000 1.133 307 H CA 0.713 56.727 56.048 -0.057 0.000 1.423 307 H CB 0.942 30.668 29.762 -0.060 0.000 1.425 307 H HN 0.123 nan 8.280 nan 0.000 0.606 308 N N 1.363 119.989 118.700 -0.122 0.000 2.331 308 N HA -0.124 4.615 4.740 -0.000 0.000 0.180 308 N C -0.167 175.306 175.510 -0.062 0.000 1.019 308 N CA 0.811 53.809 53.050 -0.086 0.000 0.881 308 N CB 0.136 38.533 38.487 -0.150 0.000 0.972 308 N HN 0.542 nan 8.380 nan 0.000 0.435 309 D N -0.642 119.869 120.400 0.185 0.000 2.303 309 D HA 0.083 4.723 4.640 -0.000 0.000 0.236 309 D C 0.468 176.745 176.300 -0.039 0.000 1.068 309 D CA -0.543 53.456 54.000 -0.002 0.000 0.830 309 D CB 0.702 41.541 40.800 0.065 0.000 1.109 309 D HN -0.045 nan 8.370 nan 0.000 0.496 310 Y N 2.574 122.900 120.300 0.043 0.000 2.315 310 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 310 Y C 2.205 178.097 175.900 -0.013 0.000 1.154 310 Y CA 0.877 58.986 58.100 0.015 0.000 1.229 310 Y CB -0.213 38.264 38.460 0.027 0.000 0.980 310 Y HN 0.391 nan 8.280 nan 0.000 0.540 311 K N -0.614 119.860 120.400 0.122 0.000 2.211 311 K HA -0.117 4.202 4.320 -0.000 0.000 0.204 311 K C 1.838 178.406 176.600 -0.053 0.000 1.047 311 K CA 1.442 57.772 56.287 0.072 0.000 0.935 311 K CB -0.165 32.372 32.500 0.061 0.000 0.728 311 K HN 0.186 nan 8.250 nan 0.000 0.452 312 V N -0.137 119.684 119.914 -0.155 0.000 2.575 312 V HA -0.120 4.000 4.120 -0.000 0.000 0.242 312 V C 2.094 178.054 176.094 -0.223 0.000 1.045 312 V CA 0.790 62.918 62.300 -0.287 0.000 1.065 312 V CB 0.108 31.576 31.823 -0.591 0.000 0.717 312 V HN -0.009 nan 8.190 nan 0.000 0.467 313 V N 0.519 120.376 119.914 -0.095 0.000 2.287 313 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 313 V C 2.613 178.652 176.094 -0.091 0.000 1.053 313 V CA 2.511 64.795 62.300 -0.027 0.000 1.027 313 V CB -0.817 31.080 31.823 0.124 0.000 0.646 313 V HN 0.553 nan 8.190 nan 0.000 0.447 314 S N 0.521 116.162 115.700 -0.099 0.000 2.351 314 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 314 S C 0.147 174.479 174.600 -0.447 0.000 1.035 314 S CA 2.064 60.162 58.200 -0.170 0.000 1.031 314 S CB -1.493 61.670 63.200 -0.061 0.000 0.928 314 S HN 0.589 nan 8.310 nan 0.000 0.433 315 P HA 0.037 nan 4.420 nan 0.000 0.217 315 P C 1.307 178.240 177.300 -0.612 0.000 1.151 315 P CA 1.408 63.760 63.100 -1.248 0.000 0.828 315 P CB -0.147 30.421 31.700 -1.886 0.000 0.788 316 A N 0.145 122.719 122.820 -0.410 0.000 1.902 316 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 316 A C 2.214 179.696 177.584 -0.169 0.000 1.181 316 A CA 1.548 53.436 52.037 -0.248 0.000 0.623 316 A CB -1.663 17.226 19.000 -0.184 0.000 0.818 316 A HN 0.173 nan 8.150 nan 0.000 0.443 317 L N -0.578 120.562 121.223 -0.138 0.000 2.141 317 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 317 L C 2.318 179.199 176.870 0.017 0.000 1.094 317 L CA 2.084 56.894 54.840 -0.051 0.000 0.763 317 L CB -0.666 41.386 42.059 -0.011 0.000 0.908 317 L HN 0.382 nan 8.230 nan 0.000 0.437 318 R N -0.283 120.205 120.500 -0.021 0.000 2.073 318 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 318 R C 2.241 178.592 176.300 0.084 0.000 1.134 318 R CA 1.644 57.806 56.100 0.104 0.000 0.952 318 R CB -0.689 29.570 30.300 -0.068 0.000 0.850 318 R HN 0.485 nan 8.270 nan 0.000 0.433 319 A N -0.358 122.428 122.820 -0.057 0.000 1.858 319 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 319 A C 2.308 179.861 177.584 -0.053 0.000 1.190 319 A CA 1.842 53.846 52.037 -0.055 0.000 0.617 319 A CB -0.898 18.036 19.000 -0.110 0.000 0.827 319 A HN 0.186 nan 8.150 nan 0.000 0.443 320 V N 0.046 119.911 119.914 -0.081 0.000 2.287 320 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 320 V C 2.807 178.796 176.094 -0.176 0.000 1.053 320 V CA 2.149 64.382 62.300 -0.111 0.000 1.027 320 V CB -1.500 30.259 31.823 -0.107 0.000 0.646 320 V HN 0.641 nan 8.190 nan 0.000 0.447 321 G N -0.379 108.286 108.800 -0.224 0.000 2.432 321 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 321 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 321 G C 1.441 176.036 174.900 -0.507 0.000 1.135 321 G CA 0.824 45.554 45.100 -0.617 0.000 0.767 321 G HN 0.512 nan 8.290 nan 0.000 0.550 322 N N 0.398 119.040 118.700 -0.095 0.000 2.250 322 N HA 0.051 4.791 4.740 -0.000 0.000 0.181 322 N C 2.224 177.701 175.510 -0.055 0.000 1.017 322 N CA 0.360 53.428 53.050 0.029 0.000 0.866 322 N CB -0.117 38.445 38.487 0.125 0.000 0.985 322 N HN 0.327 nan 8.380 nan 0.000 0.429 323 I N 0.787 121.308 120.570 -0.081 0.000 2.226 323 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 323 I C 1.821 177.872 176.117 -0.109 0.000 1.100 323 I CA 0.886 62.138 61.300 -0.080 0.000 1.374 323 I CB -0.208 37.749 38.000 -0.072 0.000 1.057 323 I HN -0.014 nan 8.210 nan 0.000 0.413 324 V N -1.788 118.026 119.914 -0.167 0.000 3.510 324 V HA -0.053 4.067 4.120 -0.000 0.000 0.270 324 V C 2.096 178.077 176.094 -0.190 0.000 1.201 324 V CA 1.334 63.525 62.300 -0.181 0.000 1.166 324 V CB -1.599 30.090 31.823 -0.223 0.000 0.825 324 V HN 0.560 nan 8.190 nan 0.000 0.484 325 T N -1.962 112.489 114.554 -0.171 0.000 3.118 325 T HA 0.235 4.585 4.350 -0.000 0.000 0.260 325 T C 1.150 175.802 174.700 -0.080 0.000 1.139 325 T CA 0.578 62.607 62.100 -0.119 0.000 1.085 325 T CB -0.592 68.237 68.868 -0.065 0.000 0.934 325 T HN 0.758 nan 8.240 nan 0.000 0.518 326 G N 1.954 110.708 108.800 -0.077 0.000 2.683 326 G HA2 0.383 4.343 3.960 -0.000 0.000 0.260 326 G HA3 0.383 4.343 3.960 -0.000 0.000 0.260 326 G C -0.131 174.737 174.900 -0.053 0.000 1.238 326 G CA -0.164 44.900 45.100 -0.060 0.000 0.934 326 G HN 0.617 nan 8.290 nan 0.000 0.534 327 D N -1.369 119.006 120.400 -0.042 0.000 2.346 327 D HA 0.056 4.696 4.640 -0.000 0.000 0.249 327 D C 0.665 176.944 176.300 -0.035 0.000 1.308 327 D CA -0.302 53.678 54.000 -0.034 0.000 0.987 327 D CB 0.277 41.062 40.800 -0.026 0.000 1.114 327 D HN 0.184 nan 8.370 nan 0.000 0.529 328 D N -0.994 119.390 120.400 -0.027 0.000 2.178 328 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 328 D C 1.914 178.198 176.300 -0.026 0.000 0.980 328 D CA 0.763 54.747 54.000 -0.026 0.000 0.842 328 D CB -0.129 40.661 40.800 -0.017 0.000 0.948 328 D HN 0.427 nan 8.370 nan 0.000 0.472 329 I N 0.469 121.025 120.570 -0.023 0.000 2.333 329 I HA -0.219 3.951 4.170 -0.000 0.000 0.246 329 I C 2.331 178.433 176.117 -0.026 0.000 1.106 329 I CA 0.808 62.095 61.300 -0.021 0.000 1.411 329 I CB -0.150 37.841 38.000 -0.016 0.000 1.082 329 I HN -0.060 nan 8.210 nan 0.000 0.420 330 Q N -0.008 119.774 119.800 -0.030 0.000 2.084 330 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 330 Q C 2.295 178.268 176.000 -0.046 0.000 0.978 330 Q CA 2.235 58.016 55.803 -0.036 0.000 0.844 330 Q CB -0.363 28.351 28.738 -0.039 0.000 0.898 330 Q HN 0.571 nan 8.270 nan 0.000 0.426 331 T N -1.333 113.190 114.554 -0.052 0.000 2.951 331 T HA -0.166 4.183 4.350 -0.000 0.000 0.268 331 T C 1.824 176.492 174.700 -0.053 0.000 1.073 331 T CA 1.127 63.188 62.100 -0.064 0.000 1.134 331 T CB 0.048 68.870 68.868 -0.077 0.000 0.884 331 T HN 0.058 nan 8.240 nan 0.000 0.479 332 Q N 0.736 120.513 119.800 -0.039 0.000 2.170 332 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 332 Q C 2.168 178.149 176.000 -0.032 0.000 0.976 332 Q CA 1.368 57.152 55.803 -0.032 0.000 0.858 332 Q CB -0.855 27.869 28.738 -0.024 0.000 0.907 332 Q HN 0.504 nan 8.270 nan 0.000 0.433 333 V N 0.191 120.086 119.914 -0.032 0.000 2.343 333 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 333 V C 2.082 178.155 176.094 -0.035 0.000 1.051 333 V CA 1.379 63.661 62.300 -0.028 0.000 1.036 333 V CB -0.501 31.307 31.823 -0.026 0.000 0.654 333 V HN 0.390 nan 8.190 nan 0.000 0.451 334 I N -0.421 120.120 120.570 -0.048 0.000 2.252 334 I HA -0.167 4.002 4.170 -0.000 0.000 0.245 334 I C 2.305 178.390 176.117 -0.053 0.000 1.102 334 I CA 1.632 62.898 61.300 -0.057 0.000 1.385 334 I CB -0.959 36.994 38.000 -0.078 0.000 1.064 334 I HN 0.275 nan 8.210 nan 0.000 0.414 335 L N 0.480 121.673 121.223 -0.050 0.000 2.191 335 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 335 L C 1.928 178.778 176.870 -0.033 0.000 1.103 335 L CA 0.976 55.791 54.840 -0.043 0.000 0.769 335 L CB -0.707 41.328 42.059 -0.039 0.000 0.908 335 L HN 0.281 nan 8.230 nan 0.000 0.438 336 N N -0.534 118.148 118.700 -0.029 0.000 2.459 336 N HA -0.091 4.649 4.740 -0.000 0.000 0.181 336 N C 1.382 176.879 175.510 -0.022 0.000 1.046 336 N CA 0.861 53.898 53.050 -0.022 0.000 0.904 336 N CB -0.299 38.178 38.487 -0.018 0.000 0.964 336 N HN 0.335 nan 8.380 nan 0.000 0.444 337 C N 0.594 119.878 119.300 -0.027 0.000 2.625 337 C HA 0.238 4.698 4.460 -0.000 0.000 0.285 337 C C 0.808 175.780 174.990 -0.030 0.000 1.279 337 C CA -0.423 58.578 59.018 -0.027 0.000 1.698 337 C CB -1.672 26.048 27.740 -0.034 0.000 1.821 337 C HN 0.291 nan 8.230 nan 0.000 0.600 338 S N 0.420 116.102 115.700 -0.029 0.000 3.706 338 S HA -0.234 4.236 4.470 -0.000 0.000 0.363 338 S C 1.188 175.767 174.600 -0.034 0.000 0.999 338 S CA 0.513 58.695 58.200 -0.029 0.000 1.143 338 S CB -1.454 61.731 63.200 -0.026 0.000 0.902 338 S HN 0.906 nan 8.310 nan 0.000 0.476 339 A N 0.523 123.318 122.820 -0.041 0.000 1.930 339 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 339 A C 1.923 179.482 177.584 -0.042 0.000 1.175 339 A CA 1.585 53.594 52.037 -0.046 0.000 0.627 339 A CB -0.336 18.628 19.000 -0.061 0.000 0.815 339 A HN 0.618 nan 8.150 nan 0.000 0.443 340 L N -0.847 120.350 121.223 -0.043 0.000 2.079 340 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 340 L C 2.884 179.738 176.870 -0.027 0.000 1.081 340 L CA 1.566 56.379 54.840 -0.045 0.000 0.752 340 L CB -0.572 41.459 42.059 -0.046 0.000 0.896 340 L HN 0.505 nan 8.230 nan 0.000 0.433 341 Q N -0.638 119.151 119.800 -0.017 0.000 2.084 341 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 341 Q C 2.409 178.420 176.000 0.020 0.000 0.978 341 Q CA 1.869 57.671 55.803 -0.003 0.000 0.844 341 Q CB -0.026 28.704 28.738 -0.013 0.000 0.898 341 Q HN 0.475 nan 8.270 nan 0.000 0.426 342 S N 0.871 116.577 115.700 0.010 0.000 2.387 342 S HA -0.047 4.423 4.470 -0.000 0.000 0.226 342 S C 1.971 176.617 174.600 0.076 0.000 1.026 342 S CA 0.661 58.887 58.200 0.043 0.000 0.972 342 S CB -0.130 63.076 63.200 0.010 0.000 0.814 342 S HN 0.257 nan 8.310 nan 0.000 0.477 343 L N 0.937 122.172 121.223 0.020 0.000 2.046 343 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 343 L C 2.405 179.277 176.870 0.004 0.000 1.077 343 L CA 0.779 55.619 54.840 -0.001 0.000 0.747 343 L CB -0.545 41.487 42.059 -0.045 0.000 0.896 343 L HN 0.286 nan 8.230 nan 0.000 0.432 344 L N -0.413 120.816 121.223 0.010 0.000 2.046 344 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 344 L C 2.572 179.467 176.870 0.042 0.000 1.077 344 L CA 2.013 56.859 54.840 0.010 0.000 0.747 344 L CB -0.685 41.382 42.059 0.014 0.000 0.896 344 L HN 0.279 nan 8.230 nan 0.000 0.432 345 H N -0.641 118.423 119.070 -0.010 0.000 2.321 345 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 345 H C 1.975 177.311 175.328 0.013 0.000 1.087 345 H CA 2.257 58.307 56.048 0.003 0.000 1.319 345 H CB -0.270 29.493 29.762 0.002 0.000 1.379 345 H HN 0.407 nan 8.280 nan 0.000 0.501 346 L N 0.217 121.413 121.223 -0.045 0.000 2.362 346 L HA -0.091 4.249 4.340 -0.000 0.000 0.219 346 L C 2.079 178.902 176.870 -0.079 0.000 1.134 346 L CA 0.363 55.156 54.840 -0.079 0.000 0.807 346 L CB -0.238 41.834 42.059 0.022 0.000 0.927 346 L HN 0.373 nan 8.230 nan 0.000 0.447 347 L N -1.096 120.089 121.223 -0.063 0.000 2.362 347 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 347 L C 2.074 178.907 176.870 -0.061 0.000 1.134 347 L CA 0.636 55.445 54.840 -0.050 0.000 0.807 347 L CB -0.228 41.808 42.059 -0.039 0.000 0.927 347 L HN 0.164 nan 8.230 nan 0.000 0.447 348 S N -1.215 114.425 115.700 -0.100 0.000 2.575 348 S HA 0.011 4.481 4.470 -0.000 0.000 0.215 348 S C 0.927 175.468 174.600 -0.098 0.000 0.966 348 S CA -0.096 58.047 58.200 -0.094 0.000 0.911 348 S CB 0.073 63.209 63.200 -0.106 0.000 0.780 348 S HN 0.291 nan 8.310 nan 0.000 0.514 349 S N 3.204 118.841 115.700 -0.105 0.000 2.549 349 S HA 0.108 4.578 4.470 -0.000 0.000 0.286 349 S C -1.146 173.424 174.600 -0.049 0.000 1.314 349 S CA -1.196 56.964 58.200 -0.066 0.000 1.062 349 S CB 0.767 63.934 63.200 -0.055 0.000 0.865 349 S HN 0.181 nan 8.310 nan 0.000 0.498 350 P HA 0.005 nan 4.420 nan 0.000 0.229 350 P C -0.149 177.103 177.300 -0.080 0.000 1.160 350 P CA 0.516 63.603 63.100 -0.022 0.000 0.777 350 P CB 0.080 31.796 31.700 0.027 0.000 0.814 351 K N 1.066 121.352 120.400 -0.189 0.000 2.349 351 K HA 0.015 4.335 4.320 -0.000 0.000 0.289 351 K C 1.207 177.699 176.600 -0.181 0.000 1.064 351 K CA -0.093 56.017 56.287 -0.294 0.000 0.947 351 K CB 0.562 32.644 32.500 -0.697 0.000 1.007 351 K HN -0.302 nan 8.250 nan 0.000 0.478 352 E N 2.278 122.408 120.200 -0.116 0.000 2.150 352 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 352 E C 1.449 178.010 176.600 -0.064 0.000 0.985 352 E CA 1.906 58.265 56.400 -0.068 0.000 0.814 352 E CB 0.077 29.753 29.700 -0.041 0.000 0.752 352 E HN 0.683 nan 8.360 nan 0.000 0.466 353 S N -0.408 115.245 115.700 -0.078 0.000 2.423 353 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 353 S C 2.074 176.644 174.600 -0.051 0.000 1.014 353 S CA 0.844 59.010 58.200 -0.056 0.000 0.965 353 S CB -0.381 62.791 63.200 -0.047 0.000 0.785 353 S HN 0.320 nan 8.310 nan 0.000 0.495 354 I N 1.239 121.758 120.570 -0.086 0.000 2.286 354 I HA -0.091 4.079 4.170 -0.000 0.000 0.245 354 I C 2.832 178.935 176.117 -0.022 0.000 1.104 354 I CA 1.112 62.380 61.300 -0.054 0.000 1.397 354 I CB -0.322 37.625 38.000 -0.088 0.000 1.072 354 I HN 0.355 nan 8.210 nan 0.000 0.417 355 K N 1.479 121.855 120.400 -0.039 0.000 2.044 355 K HA -0.283 4.037 4.320 -0.000 0.000 0.210 355 K C 2.225 178.828 176.600 0.005 0.000 1.049 355 K CA 1.891 58.164 56.287 -0.023 0.000 0.927 355 K CB -0.075 32.406 32.500 -0.032 0.000 0.713 355 K HN 0.146 nan 8.250 nan 0.000 0.443 356 K N 0.885 121.289 120.400 0.007 0.000 2.057 356 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 356 K C 1.729 178.387 176.600 0.097 0.000 1.049 356 K CA 1.786 58.091 56.287 0.030 0.000 0.931 356 K CB 0.016 32.515 32.500 -0.003 0.000 0.714 356 K HN 0.192 nan 8.250 nan 0.000 0.440 357 E N -0.008 120.255 120.200 0.105 0.000 2.106 357 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 357 E C 1.965 178.711 176.600 0.244 0.000 0.984 357 E CA 0.929 57.478 56.400 0.248 0.000 0.806 357 E CB -0.087 29.715 29.700 0.171 0.000 0.750 357 E HN 0.475 nan 8.360 nan 0.000 0.458 358 A N 0.713 123.595 122.820 0.103 0.000 1.902 358 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 358 A C 2.421 180.019 177.584 0.024 0.000 1.181 358 A CA 1.245 53.304 52.037 0.037 0.000 0.623 358 A CB -0.886 18.118 19.000 0.007 0.000 0.818 358 A HN 0.366 nan 8.150 nan 0.000 0.443 359 C N -2.612 116.720 119.300 0.053 0.000 2.429 359 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 359 C C 2.374 177.418 174.990 0.090 0.000 1.262 359 C CA 0.722 59.769 59.018 0.049 0.000 1.733 359 C CB -1.591 26.184 27.740 0.058 0.000 2.010 359 C HN 0.895 nan 8.230 nan 0.000 0.483 360 W N 1.851 123.124 121.300 -0.047 0.000 2.358 360 W HA -0.160 4.501 4.660 0.000 0.000 0.303 360 W C 2.253 178.728 176.519 -0.073 0.000 1.208 360 W CA 2.260 59.566 57.345 -0.065 0.000 1.274 360 W CB -0.868 28.547 29.460 -0.076 0.000 1.138 360 W HN 0.194 nan 8.180 nan 0.000 0.515 361 T N 1.661 115.988 114.554 -0.379 0.000 2.674 361 T HA -0.246 4.104 4.350 -0.000 0.000 0.265 361 T C 1.847 176.332 174.700 -0.358 0.000 1.039 361 T CA 2.440 64.198 62.100 -0.570 0.000 1.150 361 T CB -0.549 68.117 68.868 -0.337 0.000 0.864 361 T HN 0.177 nan 8.240 nan 0.000 0.427 362 I N 1.888 122.334 120.570 -0.207 0.000 2.264 362 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 362 I C 2.773 178.810 176.117 -0.133 0.000 1.111 362 I CA 1.424 62.625 61.300 -0.165 0.000 1.382 362 I CB -0.467 37.440 38.000 -0.155 0.000 1.060 362 I HN 0.319 nan 8.210 nan 0.000 0.418 363 S N 0.760 116.400 115.700 -0.101 0.000 2.419 363 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 363 S C 1.782 176.336 174.600 -0.075 0.000 1.016 363 S CA 1.215 59.403 58.200 -0.020 0.000 0.974 363 S CB -0.414 62.829 63.200 0.073 0.000 0.786 363 S HN 0.426 nan 8.310 nan 0.000 0.492 364 N N 1.334 119.905 118.700 -0.216 0.000 2.416 364 N HA 0.241 4.980 4.740 -0.000 0.000 0.177 364 N C 1.613 177.030 175.510 -0.154 0.000 1.036 364 N CA 0.927 53.841 53.050 -0.226 0.000 0.901 364 N CB -0.278 37.975 38.487 -0.390 0.000 0.976 364 N HN 0.509 nan 8.380 nan 0.000 0.444 365 I N 0.711 121.193 120.570 -0.146 0.000 2.333 365 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 365 I C 2.159 178.256 176.117 -0.034 0.000 1.106 365 I CA 1.193 62.437 61.300 -0.094 0.000 1.411 365 I CB -0.506 37.430 38.000 -0.105 0.000 1.082 365 I HN 0.148 nan 8.210 nan 0.000 0.420 366 T N -0.831 113.719 114.554 -0.006 0.000 3.072 366 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 366 T C 1.677 176.418 174.700 0.068 0.000 1.127 366 T CA 0.731 62.873 62.100 0.070 0.000 1.107 366 T CB -0.212 68.746 68.868 0.151 0.000 0.910 366 T HN 0.305 nan 8.240 nan 0.000 0.513 367 A N 0.872 123.713 122.820 0.036 0.000 2.235 367 A HA 0.557 4.877 4.320 -0.000 0.000 0.208 367 A C 1.498 179.092 177.584 0.017 0.000 1.172 367 A CA 0.363 52.422 52.037 0.037 0.000 0.786 367 A CB -0.890 18.120 19.000 0.018 0.000 0.804 367 A HN 0.654 nan 8.150 nan 0.000 0.479 368 G N 0.225 109.030 108.800 0.007 0.000 2.630 368 G HA2 0.376 4.336 3.960 -0.000 0.000 0.223 368 G HA3 0.376 4.336 3.960 -0.000 0.000 0.223 368 G C 0.107 175.012 174.900 0.009 0.000 1.434 368 G CA -0.055 45.044 45.100 -0.001 0.000 1.057 368 G HN 0.588 nan 8.290 nan 0.000 0.570 369 N N -1.360 117.342 118.700 0.004 0.000 2.405 369 N HA 0.193 4.933 4.740 -0.000 0.000 0.269 369 N C 1.168 176.685 175.510 0.011 0.000 1.249 369 N CA -0.608 52.446 53.050 0.006 0.000 0.974 369 N CB 0.766 39.253 38.487 0.001 0.000 1.204 369 N HN 0.345 nan 8.380 nan 0.000 0.565 370 R N -0.914 119.591 120.500 0.008 0.000 2.096 370 R HA -0.068 4.271 4.340 -0.000 0.000 0.235 370 R C 1.742 178.046 176.300 0.008 0.000 1.127 370 R CA 1.517 57.622 56.100 0.009 0.000 0.968 370 R CB -0.931 29.370 30.300 0.003 0.000 0.861 370 R HN 0.764 nan 8.270 nan 0.000 0.440 371 A N 1.180 124.002 122.820 0.003 0.000 1.930 371 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 371 A C 2.065 179.652 177.584 0.005 0.000 1.175 371 A CA 1.066 53.102 52.037 -0.000 0.000 0.627 371 A CB -0.245 18.752 19.000 -0.004 0.000 0.815 371 A HN 0.336 nan 8.150 nan 0.000 0.443 372 Q N -0.538 119.266 119.800 0.007 0.000 2.083 372 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 372 Q C 1.967 177.987 176.000 0.032 0.000 0.969 372 Q CA 1.310 57.117 55.803 0.008 0.000 0.838 372 Q CB -0.284 28.452 28.738 -0.003 0.000 0.900 372 Q HN 0.728 nan 8.270 nan 0.000 0.436 373 I N 0.619 121.220 120.570 0.053 0.000 2.208 373 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 373 I C 2.458 178.648 176.117 0.121 0.000 1.097 373 I CA 1.084 62.450 61.300 0.111 0.000 1.363 373 I CB -0.146 37.910 38.000 0.094 0.000 1.051 373 I HN 0.204 nan 8.210 nan 0.000 0.413 374 Q N 0.653 120.485 119.800 0.054 0.000 2.226 374 Q HA -0.154 4.185 4.340 -0.000 0.000 0.204 374 Q C 2.040 178.057 176.000 0.028 0.000 0.975 374 Q CA 1.953 57.772 55.803 0.026 0.000 0.866 374 Q CB -0.318 28.415 28.738 -0.008 0.000 0.915 374 Q HN 0.434 nan 8.270 nan 0.000 0.440 375 T N -0.842 113.727 114.554 0.025 0.000 2.821 375 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 375 T C 1.695 176.406 174.700 0.019 0.000 1.046 375 T CA 1.257 63.364 62.100 0.010 0.000 1.139 375 T CB -0.176 68.690 68.868 -0.005 0.000 0.871 375 T HN 0.096 nan 8.240 nan 0.000 0.454 376 V N 1.176 121.117 119.914 0.046 0.000 2.453 376 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 376 V C 2.361 178.525 176.094 0.116 0.000 1.048 376 V CA 1.123 63.429 62.300 0.010 0.000 1.049 376 V CB -0.587 31.206 31.823 -0.050 0.000 0.672 376 V HN 0.461 nan 8.190 nan 0.000 0.457 377 I N 0.368 121.099 120.570 0.268 0.000 2.142 377 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 377 I C 2.258 178.421 176.117 0.076 0.000 1.078 377 I CA 1.752 63.206 61.300 0.256 0.000 1.343 377 I CB -0.500 37.510 38.000 0.017 0.000 1.046 377 I HN 0.305 nan 8.210 nan 0.000 0.405 378 D N 0.995 121.402 120.400 0.012 0.000 2.263 378 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 378 D C 1.854 178.161 176.300 0.012 0.000 0.971 378 D CA 1.193 55.187 54.000 -0.010 0.000 0.867 378 D CB -0.050 40.738 40.800 -0.018 0.000 0.929 378 D HN 0.366 nan 8.370 nan 0.000 0.492 379 A N 0.447 123.280 122.820 0.022 0.000 2.251 379 A HA -0.011 4.309 4.320 -0.000 0.000 0.209 379 A C 0.462 178.062 177.584 0.027 0.000 1.187 379 A CA -0.097 51.947 52.037 0.011 0.000 0.823 379 A CB -0.132 18.860 19.000 -0.013 0.000 0.846 379 A HN 0.093 nan 8.150 nan 0.000 0.486 380 N N -1.195 117.546 118.700 0.069 0.000 2.754 380 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 380 N C 0.531 176.086 175.510 0.075 0.000 1.093 380 N CA 1.107 54.222 53.050 0.107 0.000 0.699 380 N CB -1.616 36.920 38.487 0.081 0.000 1.016 380 N HN 0.620 nan 8.380 nan 0.000 0.552 381 I N -0.880 119.701 120.570 0.018 0.000 2.703 381 I HA -0.056 4.114 4.170 -0.000 0.000 0.259 381 I C 1.873 177.918 176.117 -0.119 0.000 1.151 381 I CA 0.650 61.882 61.300 -0.113 0.000 1.470 381 I CB -0.113 37.730 38.000 -0.263 0.000 1.112 381 I HN 0.036 nan 8.210 nan 0.000 0.437 382 F N 1.158 121.159 119.950 0.084 0.000 2.171 382 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 382 F C -0.405 175.404 175.800 0.016 0.000 1.090 382 F CA 1.314 59.352 58.000 0.062 0.000 1.293 382 F CB -1.859 37.208 39.000 0.110 0.000 1.013 382 F HN 0.084 nan 8.300 nan 0.000 0.486 383 P HA -0.225 nan 4.420 nan 0.000 0.216 383 P C 1.463 178.794 177.300 0.052 0.000 1.153 383 P CA 2.165 65.313 63.100 0.080 0.000 0.858 383 P CB -0.186 31.556 31.700 0.071 0.000 0.789 384 A N -0.663 122.180 122.820 0.038 0.000 1.877 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 384 A C 2.223 179.811 177.584 0.008 0.000 1.186 384 A CA 1.492 53.536 52.037 0.011 0.000 0.620 384 A CB -1.657 17.337 19.000 -0.009 0.000 0.822 384 A HN 0.113 nan 8.150 nan 0.000 0.443 385 L N -0.504 120.723 121.223 0.006 0.000 2.083 385 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 385 L C 2.432 179.329 176.870 0.044 0.000 1.083 385 L CA 1.131 55.981 54.840 0.016 0.000 0.752 385 L CB -0.483 41.584 42.059 0.012 0.000 0.899 385 L HN 0.383 nan 8.230 nan 0.000 0.433 386 I N -1.212 119.396 120.570 0.063 0.000 2.315 386 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 386 I C 2.796 178.927 176.117 0.024 0.000 1.117 386 I CA 0.989 62.315 61.300 0.043 0.000 1.404 386 I CB -0.272 37.748 38.000 0.033 0.000 1.071 386 I HN 0.232 nan 8.210 nan 0.000 0.419 387 S N 1.482 117.195 115.700 0.022 0.000 2.343 387 S HA -0.167 4.303 4.470 -0.000 0.000 0.219 387 S C 2.096 176.705 174.600 0.014 0.000 1.033 387 S CA 1.376 59.585 58.200 0.015 0.000 1.014 387 S CB -0.279 62.929 63.200 0.013 0.000 0.915 387 S HN 0.297 nan 8.310 nan 0.000 0.435 388 I N 1.162 121.740 120.570 0.012 0.000 2.151 388 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 388 I C 2.314 178.439 176.117 0.013 0.000 1.080 388 I CA 1.155 62.461 61.300 0.010 0.000 1.339 388 I CB -0.378 37.625 38.000 0.005 0.000 1.039 388 I HN 0.335 nan 8.210 nan 0.000 0.409 389 L N 0.826 122.058 121.223 0.016 0.000 2.353 389 L HA -0.205 4.135 4.340 -0.000 0.000 0.220 389 L C 2.284 179.166 176.870 0.021 0.000 1.133 389 L CA 1.678 56.527 54.840 0.015 0.000 0.798 389 L CB -0.578 41.491 42.059 0.017 0.000 0.922 389 L HN 0.442 nan 8.230 nan 0.000 0.445 390 Q N -2.834 116.979 119.800 0.022 0.000 2.316 390 Q HA 0.057 4.397 4.340 -0.000 0.000 0.235 390 Q C 1.303 177.321 176.000 0.030 0.000 0.863 390 Q CA 0.816 56.636 55.803 0.027 0.000 0.939 390 Q CB 0.011 28.761 28.738 0.021 0.000 1.108 390 Q HN 0.475 nan 8.270 nan 0.000 0.522 391 T N -2.945 111.624 114.554 0.026 0.000 2.955 391 T HA 0.514 4.864 4.350 -0.000 0.000 0.251 391 T C 0.908 175.625 174.700 0.028 0.000 1.002 391 T CA 0.309 62.424 62.100 0.025 0.000 0.970 391 T CB 0.409 69.287 68.868 0.018 0.000 1.091 391 T HN 0.318 nan 8.240 nan 0.000 0.495 392 A N 2.246 125.082 122.820 0.027 0.000 2.280 392 A HA 0.559 4.879 4.320 -0.000 0.000 0.268 392 A C 0.436 178.048 177.584 0.046 0.000 1.111 392 A CA -0.652 51.401 52.037 0.025 0.000 0.814 392 A CB 0.147 19.155 19.000 0.012 0.000 1.093 392 A HN 0.724 nan 8.150 nan 0.000 0.498 393 E N -0.557 119.671 120.200 0.047 0.000 2.374 393 E HA 0.187 4.536 4.350 -0.000 0.000 0.260 393 E C 0.246 176.910 176.600 0.107 0.000 1.101 393 E CA -0.427 56.023 56.400 0.084 0.000 0.907 393 E CB 0.283 30.024 29.700 0.068 0.000 1.014 393 E HN 0.508 nan 8.360 nan 0.000 0.427 394 F N 1.872 121.831 119.950 0.015 0.000 2.161 394 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 394 F C 2.070 177.888 175.800 0.030 0.000 1.089 394 F CA 1.565 59.577 58.000 0.021 0.000 1.282 394 F CB 0.059 39.070 39.000 0.018 0.000 1.010 394 F HN 0.429 nan 8.300 nan 0.000 0.485 395 R N -0.893 119.561 120.500 -0.078 0.000 2.115 395 R HA -0.068 4.272 4.340 -0.000 0.000 0.226 395 R C 2.048 178.263 176.300 -0.141 0.000 1.100 395 R CA 1.656 57.661 56.100 -0.158 0.000 0.980 395 R CB -0.714 29.574 30.300 -0.019 0.000 0.875 395 R HN 0.244 nan 8.270 nan 0.000 0.445 396 T N 0.627 115.134 114.554 -0.079 0.000 2.777 396 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 396 T C 1.757 176.418 174.700 -0.064 0.000 1.040 396 T CA 0.846 62.918 62.100 -0.046 0.000 1.141 396 T CB -0.052 68.805 68.868 -0.018 0.000 0.868 396 T HN 0.225 nan 8.240 nan 0.000 0.444 397 R N 1.085 121.519 120.500 -0.109 0.000 2.091 397 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 397 R C 2.548 178.756 176.300 -0.154 0.000 1.136 397 R CA 1.392 57.425 56.100 -0.111 0.000 0.959 397 R CB -0.279 29.965 30.300 -0.093 0.000 0.856 397 R HN 0.351 nan 8.270 nan 0.000 0.437 398 K N 0.799 121.013 120.400 -0.310 0.000 2.103 398 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 398 K C 1.756 178.402 176.600 0.076 0.000 1.048 398 K CA 1.426 57.587 56.287 -0.210 0.000 0.930 398 K CB 0.182 32.484 32.500 -0.329 0.000 0.716 398 K HN 0.041 nan 8.250 nan 0.000 0.444 399 E N 0.180 120.427 120.200 0.079 0.000 2.076 399 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 399 E C 1.987 178.691 176.600 0.172 0.000 0.979 399 E CA 1.070 57.582 56.400 0.186 0.000 0.807 399 E CB -0.268 29.511 29.700 0.132 0.000 0.761 399 E HN 0.428 nan 8.360 nan 0.000 0.454 400 A N 1.604 124.475 122.820 0.084 0.000 1.933 400 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 400 A C 2.398 180.030 177.584 0.080 0.000 1.175 400 A CA 1.978 54.055 52.037 0.067 0.000 0.628 400 A CB -0.507 18.511 19.000 0.031 0.000 0.814 400 A HN 0.253 nan 8.150 nan 0.000 0.444 401 A N -1.498 121.352 122.820 0.049 0.000 1.898 401 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 401 A C 1.976 179.561 177.584 0.002 0.000 1.181 401 A CA 1.296 53.324 52.037 -0.015 0.000 0.620 401 A CB -0.871 18.068 19.000 -0.102 0.000 0.819 401 A HN 0.738 nan 8.150 nan 0.000 0.442 402 W N -0.228 121.075 121.300 0.005 0.000 2.363 402 W HA -0.069 4.591 4.660 -0.000 0.000 0.296 402 W C 2.758 179.295 176.519 0.030 0.000 1.212 402 W CA 1.490 58.847 57.345 0.020 0.000 1.260 402 W CB -0.061 29.420 29.460 0.035 0.000 1.131 402 W HN 0.408 nan 8.180 nan 0.000 0.530 403 A N 0.067 123.048 122.820 0.268 0.000 1.877 403 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 403 A C 1.849 179.568 177.584 0.225 0.000 1.186 403 A CA 1.759 53.905 52.037 0.183 0.000 0.620 403 A CB -0.835 18.217 19.000 0.087 0.000 0.822 403 A HN 0.152 nan 8.150 nan 0.000 0.443 404 I N -0.107 120.584 120.570 0.201 0.000 2.252 404 I HA -0.151 4.018 4.170 -0.000 0.000 0.245 404 I C 2.453 178.622 176.117 0.086 0.000 1.102 404 I CA 1.906 63.320 61.300 0.190 0.000 1.385 404 I CB -1.972 36.090 38.000 0.103 0.000 1.064 404 I HN 0.227 nan 8.210 nan 0.000 0.414 405 T N 1.400 115.980 114.554 0.042 0.000 2.821 405 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 405 T C 1.709 176.432 174.700 0.040 0.000 1.046 405 T CA 1.104 63.195 62.100 -0.015 0.000 1.139 405 T CB -0.140 68.656 68.868 -0.119 0.000 0.871 405 T HN 0.259 nan 8.240 nan 0.000 0.454 406 N N 1.466 120.240 118.700 0.123 0.000 2.216 406 N HA 0.064 4.804 4.740 -0.000 0.000 0.183 406 N C 2.073 177.645 175.510 0.102 0.000 1.017 406 N CA 1.120 54.253 53.050 0.139 0.000 0.861 406 N CB -0.542 38.058 38.487 0.188 0.000 0.986 406 N HN 0.397 nan 8.380 nan 0.000 0.428 407 A N 0.541 123.437 122.820 0.127 0.000 1.902 407 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 407 A C 2.348 179.937 177.584 0.008 0.000 1.181 407 A CA 2.332 54.431 52.037 0.102 0.000 0.623 407 A CB -1.213 17.891 19.000 0.173 0.000 0.818 407 A HN 0.504 nan 8.150 nan 0.000 0.443 408 T N -2.843 111.700 114.554 -0.018 0.000 2.915 408 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 408 T C 1.989 176.669 174.700 -0.032 0.000 1.071 408 T CA 1.864 63.930 62.100 -0.058 0.000 1.132 408 T CB -0.444 68.372 68.868 -0.087 0.000 0.878 408 T HN 0.483 nan 8.240 nan 0.000 0.479 409 S N 0.924 116.621 115.700 -0.004 0.000 2.395 409 S HA 0.205 4.675 4.470 -0.000 0.000 0.225 409 S C 2.230 176.837 174.600 0.012 0.000 1.027 409 S CA 0.912 59.115 58.200 0.006 0.000 0.965 409 S CB -0.864 62.352 63.200 0.027 0.000 0.812 409 S HN 0.675 nan 8.310 nan 0.000 0.482 410 G N 0.147 108.959 108.800 0.020 0.000 2.986 410 G HA2 0.439 4.399 3.960 -0.000 0.000 0.213 410 G HA3 0.439 4.399 3.960 -0.000 0.000 0.213 410 G C 0.551 175.457 174.900 0.009 0.000 1.156 410 G CA 0.183 45.294 45.100 0.018 0.000 0.763 410 G HN 0.662 nan 8.290 nan 0.000 0.547 411 G N 0.684 109.484 108.800 -0.001 0.000 2.476 411 G HA2 0.416 4.376 3.960 -0.000 0.000 0.269 411 G HA3 0.416 4.376 3.960 -0.000 0.000 0.269 411 G C 0.508 175.401 174.900 -0.012 0.000 1.195 411 G CA 0.459 45.551 45.100 -0.012 0.000 0.843 411 G HN 0.490 nan 8.290 nan 0.000 0.545 412 S N 0.378 116.072 115.700 -0.010 0.000 2.614 412 S HA 0.448 4.918 4.470 -0.000 0.000 0.265 412 S C 1.765 176.367 174.600 0.002 0.000 1.303 412 S CA 0.222 58.420 58.200 -0.003 0.000 1.000 412 S CB 1.417 64.615 63.200 -0.004 0.000 0.935 412 S HN 1.290 nan 8.310 nan 0.000 0.551 413 A N 1.425 124.255 122.820 0.017 0.000 1.892 413 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 413 A C 1.990 179.602 177.584 0.047 0.000 1.188 413 A CA 2.049 54.111 52.037 0.042 0.000 0.631 413 A CB -1.364 17.665 19.000 0.049 0.000 0.822 413 A HN 0.931 nan 8.150 nan 0.000 0.447 414 E N -0.116 120.102 120.200 0.030 0.000 2.153 414 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 414 E C 2.188 178.805 176.600 0.027 0.000 0.988 414 E CA 1.522 57.941 56.400 0.031 0.000 0.811 414 E CB -0.245 29.462 29.700 0.012 0.000 0.746 414 E HN 0.783 nan 8.360 nan 0.000 0.466 415 Q N -0.312 119.487 119.800 -0.001 0.000 2.083 415 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 415 Q C 1.966 177.951 176.000 -0.025 0.000 0.969 415 Q CA 0.783 56.573 55.803 -0.022 0.000 0.838 415 Q CB -0.040 28.670 28.738 -0.047 0.000 0.900 415 Q HN 0.220 nan 8.270 nan 0.000 0.436 416 I N 1.412 121.954 120.570 -0.045 0.000 2.208 416 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 416 I C 2.280 178.350 176.117 -0.078 0.000 1.097 416 I CA 1.501 62.740 61.300 -0.103 0.000 1.363 416 I CB -0.482 37.444 38.000 -0.123 0.000 1.051 416 I HN 0.118 nan 8.210 nan 0.000 0.413 417 K N -0.297 120.126 120.400 0.038 0.000 2.074 417 K HA -0.301 4.019 4.320 -0.000 0.000 0.209 417 K C 2.469 179.118 176.600 0.080 0.000 1.048 417 K CA 1.981 58.336 56.287 0.114 0.000 0.926 417 K CB -0.471 32.114 32.500 0.142 0.000 0.713 417 K HN 0.374 nan 8.250 nan 0.000 0.444 418 Y N 1.188 121.455 120.300 -0.054 0.000 2.200 418 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 418 Y C 1.720 177.558 175.900 -0.104 0.000 1.137 418 Y CA 1.389 59.451 58.100 -0.064 0.000 1.163 418 Y CB -0.152 38.265 38.460 -0.072 0.000 0.988 418 Y HN 0.011 nan 8.280 nan 0.000 0.518 419 L N -0.955 120.155 121.223 -0.190 0.000 2.046 419 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 419 L C 2.379 179.095 176.870 -0.256 0.000 1.077 419 L CA 1.158 55.799 54.840 -0.332 0.000 0.747 419 L CB -0.704 41.159 42.059 -0.326 0.000 0.896 419 L HN 0.143 nan 8.230 nan 0.000 0.432 420 V N -0.299 119.502 119.914 -0.189 0.000 2.358 420 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 420 V C 2.326 178.367 176.094 -0.088 0.000 1.047 420 V CA 1.728 63.947 62.300 -0.135 0.000 1.035 420 V CB -0.446 31.314 31.823 -0.105 0.000 0.658 420 V HN 0.452 nan 8.190 nan 0.000 0.452 421 E N -0.017 120.131 120.200 -0.087 0.000 2.160 421 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 421 E C 2.008 178.515 176.600 -0.154 0.000 0.991 421 E CA 1.128 57.474 56.400 -0.090 0.000 0.810 421 E CB -0.169 29.492 29.700 -0.066 0.000 0.742 421 E HN 0.521 nan 8.360 nan 0.000 0.466 422 L N -0.764 120.300 121.223 -0.265 0.000 2.554 422 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 422 L C 1.201 177.994 176.870 -0.128 0.000 1.137 422 L CA 0.436 55.136 54.840 -0.234 0.000 0.863 422 L CB 0.122 41.976 42.059 -0.341 0.000 0.985 422 L HN 0.297 nan 8.230 nan 0.000 0.451 423 G N -0.391 108.345 108.800 -0.107 0.000 2.145 423 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.176 423 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.176 423 G C 0.744 175.610 174.900 -0.058 0.000 1.013 423 G CA 0.079 45.142 45.100 -0.062 0.000 0.689 423 G HN 0.447 nan 8.290 nan 0.000 0.506 424 C N -1.128 118.121 119.300 -0.084 0.000 2.481 424 C HA 0.445 4.905 4.460 -0.000 0.000 0.275 424 C C 2.467 177.414 174.990 -0.073 0.000 1.419 424 C CA 0.870 59.844 59.018 -0.073 0.000 1.773 424 C CB -1.043 26.639 27.740 -0.097 0.000 1.862 424 C HN 0.521 nan 8.230 nan 0.000 0.530 425 I N 1.479 122.004 120.570 -0.074 0.000 2.163 425 I HA -0.142 4.028 4.170 -0.000 0.000 0.240 425 I C 2.816 178.909 176.117 -0.039 0.000 1.081 425 I CA 1.839 63.099 61.300 -0.067 0.000 1.353 425 I CB -0.450 37.521 38.000 -0.048 0.000 1.054 425 I HN 0.242 nan 8.210 nan 0.000 0.407 426 K N 1.810 122.200 120.400 -0.016 0.000 1.988 426 K HA -0.189 4.131 4.320 -0.000 0.000 0.221 426 K C -0.690 175.910 176.600 0.001 0.000 1.053 426 K CA 2.283 58.572 56.287 0.004 0.000 0.959 426 K CB -1.711 30.795 32.500 0.010 0.000 0.728 426 K HN 0.138 nan 8.250 nan 0.000 0.447 427 P HA -0.165 nan 4.420 nan 0.000 0.218 427 P C 1.431 178.722 177.300 -0.015 0.000 1.148 427 P CA 1.425 64.525 63.100 0.000 0.000 0.822 427 P CB -0.073 31.628 31.700 0.001 0.000 0.784 428 L N -0.855 120.344 121.223 -0.041 0.000 2.083 428 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 428 L C 2.903 179.719 176.870 -0.089 0.000 1.083 428 L CA 1.483 56.281 54.840 -0.071 0.000 0.752 428 L CB -1.097 40.904 42.059 -0.097 0.000 0.899 428 L HN 0.061 nan 8.230 nan 0.000 0.433 429 C N -0.302 118.948 119.300 -0.083 0.000 2.446 429 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 429 C C 2.362 177.350 174.990 -0.003 0.000 1.275 429 C CA 0.357 59.306 59.018 -0.115 0.000 1.727 429 C CB -0.746 26.972 27.740 -0.036 0.000 2.010 429 C HN 0.529 nan 8.230 nan 0.000 0.486 430 D N 0.891 121.313 120.400 0.035 0.000 2.221 430 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 430 D C 1.902 178.233 176.300 0.053 0.000 0.982 430 D CA 0.979 55.016 54.000 0.062 0.000 0.857 430 D CB -0.335 40.495 40.800 0.051 0.000 0.934 430 D HN 0.481 nan 8.370 nan 0.000 0.475 431 L N 0.058 121.293 121.223 0.021 0.000 2.395 431 L HA -0.014 4.326 4.340 -0.000 0.000 0.218 431 L C 2.171 179.055 176.870 0.023 0.000 1.130 431 L CA 0.167 55.027 54.840 0.033 0.000 0.826 431 L CB -0.110 41.951 42.059 0.002 0.000 0.941 431 L HN 0.022 nan 8.230 nan 0.000 0.451 432 L N -0.319 120.899 121.223 -0.008 0.000 2.456 432 L HA -0.123 4.217 4.340 -0.000 0.000 0.224 432 L C 2.367 179.281 176.870 0.073 0.000 1.148 432 L CA 1.425 56.261 54.840 -0.006 0.000 0.825 432 L CB -0.722 41.264 42.059 -0.122 0.000 0.937 432 L HN 0.435 nan 8.230 nan 0.000 0.450 433 T N -3.615 110.992 114.554 0.088 0.000 3.040 433 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 433 T C 0.604 175.326 174.700 0.037 0.000 1.058 433 T CA -0.053 62.092 62.100 0.074 0.000 0.988 433 T CB -0.301 68.612 68.868 0.074 0.000 0.993 433 T HN 0.066 nan 8.240 nan 0.000 0.519 434 V N 0.348 120.286 119.914 0.040 0.000 2.649 434 V HA 0.505 4.625 4.120 -0.000 0.000 0.292 434 V C 0.616 176.708 176.094 -0.004 0.000 1.055 434 V CA -0.963 61.344 62.300 0.011 0.000 1.023 434 V CB 0.611 32.470 31.823 0.060 0.000 0.992 434 V HN 0.200 nan 8.190 nan 0.000 0.480 435 M N 4.118 123.683 119.600 -0.057 0.000 3.596 435 M HA 0.382 4.862 4.480 -0.000 0.000 0.219 435 M C -0.383 175.888 176.300 -0.048 0.000 1.471 435 M CA 0.587 55.861 55.300 -0.042 0.000 1.644 435 M CB -1.355 31.212 32.600 -0.054 0.000 1.083 435 M HN 1.032 nan 8.290 nan 0.000 0.579 436 D N -0.374 120.036 120.400 0.017 0.000 2.470 436 D HA 0.144 4.784 4.640 -0.000 0.000 0.233 436 D C 0.905 177.259 176.300 0.091 0.000 1.372 436 D CA -0.143 53.904 54.000 0.079 0.000 0.994 436 D CB 1.335 42.258 40.800 0.204 0.000 1.377 436 D HN 0.293 nan 8.370 nan 0.000 0.586 437 S N 3.671 119.411 115.700 0.067 0.000 2.400 437 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 437 S C 1.494 176.118 174.600 0.041 0.000 1.025 437 S CA 0.950 59.178 58.200 0.046 0.000 0.993 437 S CB -0.131 63.091 63.200 0.037 0.000 0.808 437 S HN 0.507 nan 8.310 nan 0.000 0.478 438 K N 0.571 121.013 120.400 0.071 0.000 2.057 438 K HA 0.168 4.488 4.320 -0.000 0.000 0.206 438 K C 2.152 178.756 176.600 0.006 0.000 1.050 438 K CA 1.407 57.734 56.287 0.067 0.000 0.935 438 K CB -0.361 32.219 32.500 0.133 0.000 0.715 438 K HN 0.395 nan 8.250 nan 0.000 0.439 439 I N 0.932 121.530 120.570 0.047 0.000 2.315 439 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 439 I C 1.875 177.955 176.117 -0.063 0.000 1.117 439 I CA 0.840 62.129 61.300 -0.019 0.000 1.404 439 I CB 0.173 38.236 38.000 0.105 0.000 1.071 439 I HN -0.071 nan 8.210 nan 0.000 0.419 440 V N 0.679 120.584 119.914 -0.014 0.000 2.343 440 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 440 V C 2.407 178.448 176.094 -0.088 0.000 1.051 440 V CA 1.693 63.969 62.300 -0.040 0.000 1.036 440 V CB -0.758 31.062 31.823 -0.005 0.000 0.654 440 V HN 0.482 nan 8.190 nan 0.000 0.451 441 Q N -0.552 119.192 119.800 -0.093 0.000 2.124 441 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 441 Q C 2.398 178.276 176.000 -0.203 0.000 0.977 441 Q CA 1.520 57.253 55.803 -0.118 0.000 0.850 441 Q CB -0.311 28.376 28.738 -0.086 0.000 0.901 441 Q HN 0.575 nan 8.270 nan 0.000 0.429 442 V N 0.894 120.619 119.914 -0.314 0.000 2.379 442 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 442 V C 2.357 178.257 176.094 -0.325 0.000 1.044 442 V CA 1.672 63.672 62.300 -0.501 0.000 1.036 442 V CB -0.898 30.391 31.823 -0.889 0.000 0.664 442 V HN 0.312 nan 8.190 nan 0.000 0.453 443 A N -0.276 122.402 122.820 -0.236 0.000 1.877 443 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 443 A C 2.225 179.711 177.584 -0.163 0.000 1.186 443 A CA 1.735 53.666 52.037 -0.176 0.000 0.620 443 A CB -0.585 18.332 19.000 -0.138 0.000 0.822 443 A HN 0.473 nan 8.150 nan 0.000 0.443 444 L N -0.031 121.101 121.223 -0.152 0.000 2.042 444 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 444 L C 2.646 179.444 176.870 -0.120 0.000 1.076 444 L CA 1.732 56.492 54.840 -0.132 0.000 0.749 444 L CB -0.586 41.410 42.059 -0.105 0.000 0.893 444 L HN 0.611 nan 8.230 nan 0.000 0.432 445 N N 0.084 118.705 118.700 -0.131 0.000 2.166 445 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 445 N C 1.771 177.216 175.510 -0.107 0.000 1.019 445 N CA 1.434 54.416 53.050 -0.112 0.000 0.856 445 N CB 0.022 38.432 38.487 -0.129 0.000 0.993 445 N HN 0.365 nan 8.380 nan 0.000 0.426 446 G N 1.617 110.340 108.800 -0.129 0.000 2.414 446 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 446 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 446 G C 1.780 176.608 174.900 -0.120 0.000 1.188 446 G CA 0.342 45.372 45.100 -0.117 0.000 0.783 446 G HN 0.239 nan 8.290 nan 0.000 0.537 447 L N 0.248 121.396 121.223 -0.125 0.000 2.042 447 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 447 L C 2.765 179.581 176.870 -0.089 0.000 1.076 447 L CA 1.647 56.415 54.840 -0.120 0.000 0.749 447 L CB -0.401 41.578 42.059 -0.133 0.000 0.893 447 L HN 0.373 nan 8.230 nan 0.000 0.432 448 E N 0.306 120.459 120.200 -0.078 0.000 2.058 448 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 448 E C 1.952 178.526 176.600 -0.043 0.000 0.997 448 E CA 1.366 57.736 56.400 -0.051 0.000 0.801 448 E CB 0.112 29.783 29.700 -0.047 0.000 0.746 448 E HN 0.458 nan 8.360 nan 0.000 0.450 449 N N 0.578 119.244 118.700 -0.057 0.000 2.142 449 N HA -0.132 4.607 4.740 -0.000 0.000 0.186 449 N C 2.037 177.508 175.510 -0.066 0.000 1.023 449 N CA 1.037 54.056 53.050 -0.051 0.000 0.852 449 N CB -0.247 38.207 38.487 -0.056 0.000 0.998 449 N HN 0.273 nan 8.380 nan 0.000 0.424 450 I N 1.115 121.613 120.570 -0.120 0.000 2.127 450 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 450 I C 2.109 178.180 176.117 -0.078 0.000 1.075 450 I CA 1.013 62.181 61.300 -0.220 0.000 1.334 450 I CB -0.287 37.513 38.000 -0.333 0.000 1.040 450 I HN 0.051 nan 8.210 nan 0.000 0.405 451 L N 0.202 121.423 121.223 -0.004 0.000 2.079 451 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 451 L C 2.765 179.691 176.870 0.094 0.000 1.081 451 L CA 1.328 56.228 54.840 0.100 0.000 0.752 451 L CB -0.600 41.491 42.059 0.053 0.000 0.896 451 L HN 0.234 nan 8.230 nan 0.000 0.433 452 R N 0.614 121.140 120.500 0.043 0.000 2.083 452 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 452 R C 2.288 178.624 176.300 0.060 0.000 1.137 452 R CA 1.643 57.766 56.100 0.037 0.000 0.951 452 R CB -0.319 29.989 30.300 0.014 0.000 0.851 452 R HN 0.314 nan 8.270 nan 0.000 0.434 453 L N -0.194 121.075 121.223 0.077 0.000 2.201 453 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 453 L C 2.510 179.492 176.870 0.187 0.000 1.105 453 L CA 1.137 56.043 54.840 0.109 0.000 0.775 453 L CB -0.451 41.661 42.059 0.088 0.000 0.913 453 L HN 0.471 nan 8.230 nan 0.000 0.440 454 G N -0.898 108.078 108.800 0.293 0.000 2.422 454 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 454 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 454 G C 1.471 176.389 174.900 0.029 0.000 1.140 454 G CA 0.172 45.368 45.100 0.160 0.000 0.775 454 G HN 0.241 nan 8.290 nan 0.000 0.545 455 E N 0.468 120.698 120.200 0.050 0.000 2.150 455 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 455 E C 2.562 179.168 176.600 0.009 0.000 0.985 455 E CA 0.595 57.005 56.400 0.018 0.000 0.814 455 E CB -0.176 29.537 29.700 0.021 0.000 0.752 455 E HN 0.569 nan 8.360 nan 0.000 0.466 456 Q N 0.508 120.321 119.800 0.022 0.000 2.014 456 Q HA -0.242 4.098 4.340 -0.000 0.000 0.207 456 Q C 2.175 178.175 176.000 0.000 0.000 0.993 456 Q CA 1.893 57.705 55.803 0.014 0.000 0.850 456 Q CB -0.175 28.578 28.738 0.025 0.000 0.916 456 Q HN 0.088 nan 8.270 nan 0.000 0.417 457 E N 0.444 120.640 120.200 -0.007 0.000 2.097 457 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 457 E C 1.719 178.294 176.600 -0.041 0.000 1.000 457 E CA 1.518 57.899 56.400 -0.032 0.000 0.804 457 E CB -0.329 29.331 29.700 -0.066 0.000 0.740 457 E HN 0.377 nan 8.360 nan 0.000 0.454 458 A N 0.501 123.294 122.820 -0.044 0.000 1.892 458 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 458 A C 2.091 179.659 177.584 -0.026 0.000 1.188 458 A CA 2.246 54.259 52.037 -0.040 0.000 0.631 458 A CB -0.485 18.494 19.000 -0.034 0.000 0.822 458 A HN 0.269 nan 8.150 nan 0.000 0.447 459 K N -1.176 119.213 120.400 -0.018 0.000 2.137 459 K HA -0.000 4.320 4.320 -0.000 0.000 0.202 459 K C 2.327 178.919 176.600 -0.012 0.000 1.052 459 K CA 0.820 57.099 56.287 -0.013 0.000 0.961 459 K CB -0.135 32.360 32.500 -0.008 0.000 0.741 459 K HN 0.460 nan 8.250 nan 0.000 0.452 460 R N 1.593 122.085 120.500 -0.013 0.000 2.103 460 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 460 R C 1.661 177.953 176.300 -0.014 0.000 1.132 460 R CA 2.260 58.353 56.100 -0.011 0.000 0.925 460 R CB -0.292 30.002 30.300 -0.010 0.000 0.842 460 R HN 0.080 nan 8.270 nan 0.000 0.430 461 N N -0.482 118.206 118.700 -0.019 0.000 2.370 461 N HA 0.031 4.771 4.740 -0.000 0.000 0.198 461 N C 0.458 175.957 175.510 -0.019 0.000 1.156 461 N CA 0.976 54.015 53.050 -0.019 0.000 0.839 461 N CB 0.425 38.897 38.487 -0.024 0.000 0.989 461 N HN 0.542 nan 8.380 nan 0.000 0.468 462 G N -0.745 108.045 108.800 -0.017 0.000 2.189 462 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.267 462 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.267 462 G C 1.194 176.084 174.900 -0.016 0.000 0.975 462 G CA 1.291 46.382 45.100 -0.015 0.000 0.644 462 G HN 0.560 nan 8.290 nan 0.000 0.537 463 T N -2.317 112.225 114.554 -0.021 0.000 2.904 463 T HA 0.323 4.673 4.350 -0.000 0.000 0.267 463 T C 2.673 177.360 174.700 -0.021 0.000 1.059 463 T CA 1.890 63.977 62.100 -0.022 0.000 1.137 463 T CB -0.288 68.563 68.868 -0.028 0.000 0.879 463 T HN 2.263 nan 8.240 nan 0.000 0.467 464 G N 1.274 110.060 108.800 -0.023 0.000 2.141 464 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.242 464 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.242 464 G C -0.040 174.845 174.900 -0.025 0.000 0.982 464 G CA 0.079 45.166 45.100 -0.021 0.000 0.662 464 G HN 0.677 nan 8.290 nan 0.000 0.527 465 I N 1.100 121.649 120.570 -0.036 0.000 2.355 465 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 465 I C 0.096 176.171 176.117 -0.070 0.000 0.999 465 I CA -1.010 60.264 61.300 -0.044 0.000 1.163 465 I CB 1.497 39.471 38.000 -0.044 0.000 1.316 465 I HN 0.074 nan 8.210 nan 0.000 0.454 466 N N 9.151 127.811 118.700 -0.066 0.000 2.420 466 N HA 0.157 4.897 4.740 -0.000 0.000 0.262 466 N C -1.548 173.861 175.510 -0.169 0.000 1.144 466 N CA -1.586 51.403 53.050 -0.101 0.000 0.952 466 N CB 1.464 39.931 38.487 -0.033 0.000 1.081 466 N HN 0.337 nan 8.380 nan 0.000 0.480 467 P HA -0.113 nan 4.420 nan 0.000 0.222 467 P C 0.428 177.540 177.300 -0.313 0.000 1.147 467 P CA 1.226 64.097 63.100 -0.382 0.000 0.790 467 P CB 0.033 31.379 31.700 -0.590 0.000 0.780 468 Y N -1.107 119.188 120.300 -0.008 0.000 2.544 468 Y HA 0.006 4.556 4.550 -0.000 0.000 0.286 468 Y C 2.697 178.595 175.900 -0.004 0.000 1.141 468 Y CA -0.498 57.596 58.100 -0.010 0.000 1.299 468 Y CB -1.698 36.752 38.460 -0.018 0.000 1.030 468 Y HN 0.029 nan 8.280 nan 0.000 0.543 469 C N -0.018 119.333 119.300 0.085 0.000 2.436 469 C HA -0.168 4.291 4.460 -0.000 0.000 0.277 469 C C 3.042 178.067 174.990 0.059 0.000 1.241 469 C CA 1.332 60.388 59.018 0.064 0.000 1.721 469 C CB -1.345 26.415 27.740 0.033 0.000 2.043 469 C HN 0.626 nan 8.230 nan 0.000 0.472 470 A N 0.281 123.124 122.820 0.037 0.000 1.933 470 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 470 A C 2.127 179.742 177.584 0.052 0.000 1.175 470 A CA 1.496 53.554 52.037 0.035 0.000 0.628 470 A CB -0.639 18.370 19.000 0.015 0.000 0.814 470 A HN 0.637 nan 8.150 nan 0.000 0.444 471 L N -0.593 120.671 121.223 0.070 0.000 2.017 471 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 471 L C 2.512 179.429 176.870 0.078 0.000 1.073 471 L CA 1.333 56.221 54.840 0.080 0.000 0.745 471 L CB -0.545 41.588 42.059 0.122 0.000 0.894 471 L HN 0.384 nan 8.230 nan 0.000 0.432 472 I N -0.314 120.308 120.570 0.087 0.000 2.226 472 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 472 I C 2.447 178.638 176.117 0.123 0.000 1.100 472 I CA 1.307 62.656 61.300 0.082 0.000 1.374 472 I CB -0.307 37.731 38.000 0.063 0.000 1.057 472 I HN 0.313 nan 8.210 nan 0.000 0.413 473 E N 0.590 120.853 120.200 0.105 0.000 2.058 473 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 473 E C 2.153 178.801 176.600 0.080 0.000 0.997 473 E CA 1.199 57.657 56.400 0.097 0.000 0.801 473 E CB 0.029 29.768 29.700 0.064 0.000 0.746 473 E HN 0.337 nan 8.360 nan 0.000 0.450 474 E N -0.001 120.237 120.200 0.065 0.000 2.110 474 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 474 E C 1.910 178.548 176.600 0.062 0.000 0.988 474 E CA 1.102 57.533 56.400 0.051 0.000 0.804 474 E CB -0.187 29.538 29.700 0.041 0.000 0.745 474 E HN 0.268 nan 8.360 nan 0.000 0.458 475 A N -0.275 122.595 122.820 0.084 0.000 1.898 475 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 475 A C 1.981 179.659 177.584 0.157 0.000 1.183 475 A CA 1.165 53.259 52.037 0.094 0.000 0.622 475 A CB -0.353 18.691 19.000 0.073 0.000 0.824 475 A HN 0.290 nan 8.150 nan 0.000 0.444 476 Y N -0.620 119.685 120.300 0.007 0.000 2.522 476 Y HA 0.393 4.943 4.550 -0.000 0.000 0.277 476 Y C 0.911 176.815 175.900 0.006 0.000 1.104 476 Y CA 0.507 58.610 58.100 0.006 0.000 1.260 476 Y CB 0.300 38.765 38.460 0.009 0.000 1.151 476 Y HN 0.610 nan 8.280 nan 0.000 0.539 477 G N 0.221 109.016 108.800 -0.008 0.000 2.742 477 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 477 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 477 G C 0.133 174.982 174.900 -0.085 0.000 1.220 477 G CA -0.239 44.811 45.100 -0.083 0.000 0.783 477 G HN 0.224 nan 8.290 nan 0.000 0.646 478 L N 0.625 121.824 121.223 -0.039 0.000 2.083 478 L HA -0.072 4.267 4.340 -0.000 0.000 0.209 478 L C 2.583 179.436 176.870 -0.028 0.000 1.083 478 L CA 2.153 56.984 54.840 -0.016 0.000 0.752 478 L CB -0.354 41.703 42.059 -0.003 0.000 0.899 478 L HN 0.680 nan 8.230 nan 0.000 0.433 479 D N 0.014 120.380 120.400 -0.056 0.000 2.178 479 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 479 D C 2.210 178.475 176.300 -0.058 0.000 0.980 479 D CA 1.130 55.102 54.000 -0.047 0.000 0.842 479 D CB 0.072 40.832 40.800 -0.067 0.000 0.948 479 D HN 0.235 nan 8.370 nan 0.000 0.472 480 K N -0.138 120.153 120.400 -0.182 0.000 2.116 480 K HA 0.025 4.344 4.320 -0.000 0.000 0.203 480 K C 1.902 178.495 176.600 -0.012 0.000 1.052 480 K CA 0.327 56.469 56.287 -0.242 0.000 0.952 480 K CB 0.251 32.266 32.500 -0.808 0.000 0.729 480 K HN 0.083 nan 8.250 nan 0.000 0.446 481 I N 1.937 122.510 120.570 0.005 0.000 2.252 481 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 481 I C 1.918 178.097 176.117 0.105 0.000 1.102 481 I CA 1.630 63.002 61.300 0.120 0.000 1.385 481 I CB -0.877 37.189 38.000 0.109 0.000 1.064 481 I HN 0.234 nan 8.210 nan 0.000 0.414 482 E N 0.196 120.445 120.200 0.082 0.000 2.106 482 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 482 E C 2.145 178.804 176.600 0.099 0.000 0.984 482 E CA 0.985 57.430 56.400 0.074 0.000 0.806 482 E CB -0.282 29.453 29.700 0.058 0.000 0.750 482 E HN 0.376 nan 8.360 nan 0.000 0.458 483 F N 1.396 121.342 119.950 -0.005 0.000 2.120 483 F HA -0.204 4.322 4.527 -0.000 0.000 0.300 483 F C 1.813 177.620 175.800 0.011 0.000 1.095 483 F CA 1.400 59.400 58.000 0.001 0.000 1.249 483 F CB -0.020 38.968 39.000 -0.021 0.000 0.995 483 F HN -0.077 nan 8.300 nan 0.000 0.480 484 L N -0.304 120.969 121.223 0.083 0.000 2.395 484 L HA -0.093 4.247 4.340 -0.000 0.000 0.218 484 L C 2.224 179.080 176.870 -0.024 0.000 1.130 484 L CA 0.612 55.454 54.840 0.003 0.000 0.826 484 L CB -0.583 41.569 42.059 0.155 0.000 0.941 484 L HN 0.245 nan 8.230 nan 0.000 0.451 485 Q N -0.672 119.126 119.800 -0.003 0.000 2.311 485 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 485 Q C 1.091 177.085 176.000 -0.011 0.000 0.954 485 Q CA 0.309 56.115 55.803 0.004 0.000 0.885 485 Q CB 0.213 28.962 28.738 0.020 0.000 0.963 485 Q HN 0.260 nan 8.270 nan 0.000 0.471 486 S N 0.082 115.746 115.700 -0.060 0.000 2.455 486 S HA -0.034 4.436 4.470 -0.000 0.000 0.278 486 S C 0.715 175.303 174.600 -0.020 0.000 1.216 486 S CA -0.356 57.813 58.200 -0.052 0.000 1.055 486 S CB 0.478 63.611 63.200 -0.112 0.000 0.939 486 S HN 0.352 nan 8.310 nan 0.000 0.494 487 H N 3.827 122.861 119.070 -0.061 0.000 2.462 487 H HA -0.012 4.544 4.556 0.000 0.000 0.292 487 H C 1.484 176.793 175.328 -0.032 0.000 1.049 487 H CA 1.602 57.626 56.048 -0.041 0.000 1.334 487 H CB 0.365 30.114 29.762 -0.021 0.000 1.404 487 H HN 0.810 nan 8.280 nan 0.000 0.544 488 E N 0.297 120.455 120.200 -0.069 0.000 2.051 488 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 488 E C 2.028 178.567 176.600 -0.102 0.000 0.991 488 E CA 0.919 57.257 56.400 -0.103 0.000 0.799 488 E CB 0.081 29.753 29.700 -0.046 0.000 0.748 488 E HN 0.469 nan 8.360 nan 0.000 0.449 489 N N 0.908 119.539 118.700 -0.115 0.000 2.104 489 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 489 N C 1.808 177.309 175.510 -0.015 0.000 1.024 489 N CA 1.174 54.156 53.050 -0.114 0.000 0.853 489 N CB -0.368 37.842 38.487 -0.462 0.000 1.008 489 N HN 0.256 nan 8.380 nan 0.000 0.424 490 Q N 1.012 120.758 119.800 -0.090 0.000 2.096 490 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 490 Q C 1.557 177.553 176.000 -0.006 0.000 0.982 490 Q CA 1.492 57.283 55.803 -0.020 0.000 0.850 490 Q CB 0.015 28.758 28.738 0.008 0.000 0.901 490 Q HN 0.422 nan 8.270 nan 0.000 0.422 491 E N 0.228 120.336 120.200 -0.153 0.000 2.077 491 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 491 E C 2.085 178.668 176.600 -0.029 0.000 0.989 491 E CA 1.339 57.659 56.400 -0.134 0.000 0.800 491 E CB -0.130 29.433 29.700 -0.228 0.000 0.746 491 E HN 0.460 nan 8.360 nan 0.000 0.452 492 I N 0.176 120.734 120.570 -0.020 0.000 2.179 492 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 492 I C 2.073 178.144 176.117 -0.077 0.000 1.088 492 I CA 1.274 62.544 61.300 -0.050 0.000 1.357 492 I CB -0.206 37.753 38.000 -0.068 0.000 1.051 492 I HN 0.125 nan 8.210 nan 0.000 0.409 493 Y N 0.463 120.745 120.300 -0.031 0.000 2.145 493 Y HA -0.329 4.221 4.550 0.000 0.000 0.286 493 Y C 2.782 178.752 175.900 0.117 0.000 1.145 493 Y CA 1.981 60.068 58.100 -0.023 0.000 1.148 493 Y CB -0.591 37.941 38.460 0.120 0.000 0.981 493 Y HN 0.180 nan 8.280 nan 0.000 0.507 494 Q N 0.392 120.394 119.800 0.336 0.000 2.112 494 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 494 Q C 2.301 178.419 176.000 0.196 0.000 0.987 494 Q CA 1.939 57.921 55.803 0.297 0.000 0.858 494 Q CB -0.073 28.766 28.738 0.167 0.000 0.905 494 Q HN 0.022 nan 8.270 nan 0.000 0.420 495 K N 0.009 120.462 120.400 0.088 0.000 2.025 495 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 495 K C 1.900 178.517 176.600 0.029 0.000 1.049 495 K CA 1.394 57.708 56.287 0.045 0.000 0.933 495 K CB -0.614 31.885 32.500 -0.002 0.000 0.714 495 K HN 0.325 nan 8.250 nan 0.000 0.438 496 A N 0.106 122.885 122.820 -0.069 0.000 1.877 496 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 496 A C 2.296 179.829 177.584 -0.085 0.000 1.186 496 A CA 1.415 53.353 52.037 -0.165 0.000 0.620 496 A CB -0.865 17.892 19.000 -0.405 0.000 0.822 496 A HN 0.311 nan 8.150 nan 0.000 0.443 497 F N 0.332 120.309 119.950 0.046 0.000 2.102 497 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 497 F C 2.241 178.092 175.800 0.084 0.000 1.105 497 F CA 1.366 59.408 58.000 0.070 0.000 1.239 497 F CB -0.193 38.860 39.000 0.089 0.000 0.991 497 F HN 0.189 nan 8.300 nan 0.000 0.474 498 D N 0.113 120.680 120.400 0.279 0.000 2.144 498 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 498 D C 2.136 178.556 176.300 0.199 0.000 0.984 498 D CA 0.853 54.968 54.000 0.192 0.000 0.834 498 D CB -0.479 40.397 40.800 0.127 0.000 0.955 498 D HN 0.142 nan 8.370 nan 0.000 0.465 499 L N 0.491 121.833 121.223 0.199 0.000 2.005 499 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 499 L C 1.982 179.102 176.870 0.417 0.000 1.072 499 L CA 1.301 56.313 54.840 0.287 0.000 0.744 499 L CB -0.532 41.647 42.059 0.200 0.000 0.895 499 L HN -0.113 nan 8.230 nan 0.000 0.433 500 I N -0.072 120.680 120.570 0.302 0.000 2.252 500 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 500 I C 2.449 178.797 176.117 0.384 0.000 1.102 500 I CA 1.264 62.773 61.300 0.349 0.000 1.385 500 I CB -0.762 37.266 38.000 0.047 0.000 1.064 500 I HN 0.341 nan 8.210 nan 0.000 0.414 501 E N -1.093 119.273 120.200 0.277 0.000 2.204 501 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 501 E C 1.977 178.682 176.600 0.175 0.000 0.989 501 E CA 0.999 57.529 56.400 0.217 0.000 0.824 501 E CB -0.216 29.591 29.700 0.178 0.000 0.756 501 E HN 0.583 nan 8.360 nan 0.000 0.477 502 H N -0.886 118.224 119.070 0.066 0.000 2.363 502 H HA -0.078 4.478 4.556 0.000 0.000 0.301 502 H C 1.182 176.373 175.328 -0.228 0.000 1.074 502 H CA 1.572 57.540 56.048 -0.133 0.000 1.354 502 H CB 0.142 29.734 29.762 -0.283 0.000 1.397 502 H HN 0.156 nan 8.280 nan 0.000 0.516 503 Y N -2.050 118.345 120.300 0.158 0.000 2.436 503 Y HA 0.082 4.632 4.550 -0.000 0.000 0.288 503 Y C 1.203 176.987 175.900 -0.194 0.000 1.112 503 Y CA 0.238 58.316 58.100 -0.037 0.000 1.220 503 Y CB 0.325 38.781 38.460 -0.007 0.000 1.073 503 Y HN 0.153 nan 8.280 nan 0.000 0.552 504 F N -0.541 119.498 119.950 0.148 0.000 2.678 504 F HA 0.432 4.959 4.527 -0.000 0.000 0.291 504 F C 1.207 177.033 175.800 0.044 0.000 1.123 504 F CA 0.575 58.627 58.000 0.088 0.000 1.395 504 F CB 0.185 39.238 39.000 0.088 0.000 1.121 504 F HN -0.066 nan 8.300 nan 0.000 0.592 505 G N 0.468 109.382 108.800 0.189 0.000 2.712 505 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 505 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 505 G C -0.507 174.464 174.900 0.119 0.000 1.181 505 G CA -0.956 44.203 45.100 0.100 0.000 0.762 505 G HN 0.000 nan 8.290 nan 0.000 0.641 506 T N 2.883 117.486 114.554 0.081 0.000 2.794 506 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 506 T C 0.240 174.979 174.700 0.066 0.000 0.949 506 T CA -0.232 61.915 62.100 0.078 0.000 1.101 506 T CB 1.337 70.240 68.868 0.057 0.000 0.905 506 T HN 0.492 nan 8.240 nan 0.000 0.516 507 E N 2.449 122.691 120.200 0.069 0.000 2.259 507 E HA 0.057 4.407 4.350 -0.000 0.000 0.281 507 E C 0.956 177.583 176.600 0.046 0.000 1.027 507 E CA -0.427 56.007 56.400 0.057 0.000 0.838 507 E CB 1.197 30.932 29.700 0.059 0.000 1.066 507 E HN 0.612 nan 8.360 nan 0.000 0.401 508 D N 2.812 123.235 120.400 0.039 0.000 2.254 508 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 508 D C -0.353 175.967 176.300 0.032 0.000 0.998 508 D CA 1.514 55.533 54.000 0.032 0.000 0.885 508 D CB 0.477 41.294 40.800 0.028 0.000 0.915 508 D HN 0.592 nan 8.370 nan 0.000 0.460 509 E N 0.000 120.221 120.200 0.035 0.000 2.725 509 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 509 E CA 0.000 56.422 56.400 0.037 0.000 0.976 509 E CB 0.000 29.721 29.700 0.036 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440