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 3pb9_1_X DATA FIRST_RESID 74 DATA SEQUENCE GSLPEARLRR VVGQLDPQRL WSTYLRPLLV VRTPGSPGNL QVRKFLEATL DATA SEQUENCE RSLTAGWHVE LDPFTASTPL GPVDFGNVVA TLDPRAARHL TLACHYDSKL DATA SEQUENCE FPPGSTPFVG ATDSAVPCAL LLELAQALDL ELSRAKKQAA PVTLQLLFLD DATA SEQUENCE GEEALKEWGP KDSLYGSRHL AQLMESIPHS PGPTRIQAIE LFMLLDLLGA DATA SEQUENCE PNPTFYSHFP RTVRWFHRLR SIEKRLHRLN LLQSHPQEVM YFQPGEPFGS DATA SEQUENCE VEDDHIPFLR RGVPVLHLIS TPFPAVWHTP ADTEVNLHPP TVHNLCRILA DATA SEQUENCE VFLAEYLGL 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 74 G HA2 0.000 nan 3.960 nan 0.000 0.244 74 G HA3 0.000 3.826 3.960 -0.223 0.000 0.244 74 G C 0.000 174.895 174.900 -0.009 0.000 0.946 74 G CA 0.000 45.091 45.100 -0.016 0.000 0.502 75 S N 0.711 116.409 115.700 -0.004 0.000 2.617 75 S HA 0.607 4.943 4.470 -0.223 0.000 0.269 75 S C 0.517 175.120 174.600 0.006 0.000 1.292 75 S CA -0.435 57.768 58.200 0.004 0.000 1.010 75 S CB 1.256 64.461 63.200 0.009 0.000 0.944 75 S HN 0.280 nan 8.310 nan 0.000 0.536 76 L N 2.597 123.827 121.223 0.011 0.000 2.426 76 L HA 0.253 4.459 4.340 -0.223 0.000 0.271 76 L C -2.119 174.759 176.870 0.012 0.000 1.169 76 L CA -1.743 53.105 54.840 0.013 0.000 0.836 76 L CB -0.410 41.661 42.059 0.019 0.000 1.112 76 L HN 0.357 nan 8.230 nan 0.000 0.465 77 P HA -0.035 nan 4.420 nan 0.000 0.268 77 P C 0.525 177.833 177.300 0.013 0.000 1.208 77 P CA -0.167 62.939 63.100 0.010 0.000 0.777 77 P CB 0.584 32.289 31.700 0.008 0.000 0.875 78 E N 2.161 122.369 120.200 0.013 0.000 2.097 78 E HA -0.302 3.914 4.350 -0.223 0.000 0.196 78 E C 1.754 178.362 176.600 0.015 0.000 1.000 78 E CA 1.668 58.076 56.400 0.014 0.000 0.804 78 E CB -0.391 29.317 29.700 0.013 0.000 0.740 78 E HN 0.488 nan 8.360 nan 0.000 0.454 79 A N 1.463 124.290 122.820 0.012 0.000 1.859 79 A HA -0.280 3.906 4.320 -0.223 0.000 0.217 79 A C 2.249 179.842 177.584 0.015 0.000 1.198 79 A CA 1.993 54.038 52.037 0.012 0.000 0.629 79 A CB -0.782 18.224 19.000 0.010 0.000 0.830 79 A HN 0.288 nan 8.150 nan 0.000 0.446 80 R N -0.817 119.692 120.500 0.015 0.000 2.091 80 R HA -0.129 4.077 4.340 -0.223 0.000 0.238 80 R C 2.243 178.557 176.300 0.023 0.000 1.136 80 R CA 1.729 57.839 56.100 0.018 0.000 0.959 80 R CB -0.421 29.889 30.300 0.016 0.000 0.856 80 R HN 0.614 nan 8.270 nan 0.000 0.437 81 L N 0.437 121.674 121.223 0.024 0.000 2.027 81 L HA -0.170 4.036 4.340 -0.223 0.000 0.206 81 L C 2.293 179.182 176.870 0.031 0.000 1.074 81 L CA 1.524 56.382 54.840 0.030 0.000 0.745 81 L CB -0.140 41.937 42.059 0.030 0.000 0.898 81 L HN 0.146 nan 8.230 nan 0.000 0.433 82 R N -0.724 119.791 120.500 0.024 0.000 2.148 82 R HA -0.132 4.075 4.340 -0.223 0.000 0.223 82 R C 2.414 178.728 176.300 0.023 0.000 1.088 82 R CA 1.061 57.175 56.100 0.023 0.000 0.985 82 R CB -0.299 30.011 30.300 0.016 0.000 0.880 82 R HN 0.413 nan 8.270 nan 0.000 0.451 83 R N 1.012 121.526 120.500 0.023 0.000 2.066 83 R HA -0.082 4.124 4.340 -0.223 0.000 0.232 83 R C 1.885 178.204 176.300 0.031 0.000 1.131 83 R CA 1.342 57.457 56.100 0.024 0.000 0.955 83 R CB -0.296 30.018 30.300 0.022 0.000 0.851 83 R HN 0.040 nan 8.270 nan 0.000 0.432 84 V N 1.132 121.067 119.914 0.036 0.000 2.255 84 V HA -0.241 3.745 4.120 -0.223 0.000 0.247 84 V C 2.580 178.705 176.094 0.052 0.000 1.051 84 V CA 1.829 64.156 62.300 0.046 0.000 1.018 84 V CB -0.368 31.485 31.823 0.049 0.000 0.641 84 V HN 0.193 nan 8.190 nan 0.000 0.445 85 V N 0.827 120.771 119.914 0.049 0.000 2.469 85 V HA -0.192 3.795 4.120 -0.223 0.000 0.251 85 V C 2.514 178.634 176.094 0.043 0.000 1.064 85 V CA 2.077 64.408 62.300 0.053 0.000 1.066 85 V CB -1.278 30.574 31.823 0.049 0.000 0.667 85 V HN 0.642 nan 8.190 nan 0.000 0.461 86 G N -1.334 107.486 108.800 0.034 0.000 2.534 86 G HA2 -0.180 3.646 3.960 -0.223 0.000 0.217 86 G HA3 -0.180 3.646 3.960 -0.223 0.000 0.217 86 G C 1.403 176.320 174.900 0.029 0.000 1.128 86 G CA 0.230 45.345 45.100 0.025 0.000 0.784 86 G HN 0.554 nan 8.290 nan 0.000 0.542 87 Q N -0.490 119.334 119.800 0.040 0.000 2.378 87 Q HA 0.219 4.425 4.340 -0.223 0.000 0.205 87 Q C 0.688 176.722 176.000 0.058 0.000 0.954 87 Q CA -0.144 55.687 55.803 0.047 0.000 0.901 87 Q CB 0.068 28.838 28.738 0.053 0.000 0.981 87 Q HN 0.389 nan 8.270 nan 0.000 0.483 88 L N 1.212 122.472 121.223 0.062 0.000 2.452 88 L HA 0.104 4.310 4.340 -0.223 0.000 0.267 88 L C 0.044 176.944 176.870 0.050 0.000 1.188 88 L CA -0.133 54.753 54.840 0.077 0.000 0.821 88 L CB 0.373 42.485 42.059 0.089 0.000 1.102 88 L HN -0.013 nan 8.230 nan 0.000 0.470 89 D N 2.955 123.392 120.400 0.062 0.000 2.421 89 D HA 0.247 4.754 4.640 -0.223 0.000 0.254 89 D C -1.955 174.358 176.300 0.022 0.000 1.238 89 D CA -1.931 52.082 54.000 0.022 0.000 0.919 89 D CB 1.944 42.757 40.800 0.022 0.000 1.152 89 D HN 0.090 nan 8.370 nan 0.000 0.552 90 P HA -0.152 nan 4.420 nan 0.000 0.218 90 P C 1.238 178.577 177.300 0.064 0.000 1.149 90 P CA 0.879 63.887 63.100 -0.154 0.000 0.817 90 P CB 0.621 31.915 31.700 -0.677 0.000 0.785 91 Q N 0.218 120.020 119.800 0.004 0.000 2.119 91 Q HA -0.122 4.084 4.340 -0.223 0.000 0.201 91 Q C 2.460 178.498 176.000 0.062 0.000 0.972 91 Q CA 1.397 57.232 55.803 0.053 0.000 0.847 91 Q CB -0.675 28.059 28.738 -0.006 0.000 0.903 91 Q HN 0.050 nan 8.270 nan 0.000 0.433 92 R N -0.561 119.936 120.500 -0.005 0.000 2.070 92 R HA -0.165 4.041 4.340 -0.223 0.000 0.233 92 R C 2.087 178.289 176.300 -0.163 0.000 1.137 92 R CA 1.518 57.536 56.100 -0.136 0.000 0.945 92 R CB -0.566 29.650 30.300 -0.140 0.000 0.845 92 R HN 0.380 nan 8.270 nan 0.000 0.430 93 L N 0.475 121.748 121.223 0.083 0.000 1.990 93 L HA -0.247 3.959 4.340 -0.223 0.000 0.213 93 L C 2.079 179.068 176.870 0.198 0.000 1.072 93 L CA 2.016 57.001 54.840 0.242 0.000 0.755 93 L CB -0.905 41.376 42.059 0.370 0.000 0.889 93 L HN 0.386 nan 8.230 nan 0.000 0.432 94 W N -0.559 120.791 121.300 0.082 0.000 2.379 94 W HA -0.141 4.341 4.660 -0.296 0.000 0.307 94 W C 2.386 178.909 176.519 0.007 0.000 1.200 94 W CA 1.756 59.138 57.345 0.062 0.000 1.297 94 W CB -0.133 29.377 29.460 0.082 0.000 1.140 94 W HN 0.276 nan 8.180 nan 0.000 0.507 95 S N -0.837 114.965 115.700 0.170 0.000 2.441 95 S HA -0.064 4.272 4.470 -0.223 0.000 0.224 95 S C 1.561 176.141 174.600 -0.032 0.000 1.043 95 S CA 1.427 59.669 58.200 0.070 0.000 0.948 95 S CB -0.200 63.042 63.200 0.069 0.000 0.810 95 S HN 0.097 nan 8.310 nan 0.000 0.504 96 T N 0.702 115.176 114.554 -0.133 0.000 3.009 96 T HA 0.126 4.342 4.350 -0.223 0.000 0.258 96 T C 0.952 175.635 174.700 -0.028 0.000 1.063 96 T CA 0.847 62.826 62.100 -0.202 0.000 1.139 96 T CB -0.104 68.464 68.868 -0.500 0.000 0.890 96 T HN 0.361 nan 8.240 nan 0.000 0.471 97 Y N -0.367 120.003 120.300 0.116 0.000 2.609 97 Y HA 0.458 4.869 4.550 -0.233 0.000 0.281 97 Y C 1.702 177.617 175.900 0.024 0.000 1.132 97 Y CA -1.004 57.181 58.100 0.142 0.000 1.264 97 Y CB -0.680 37.823 38.460 0.073 0.000 1.325 97 Y HN 0.047 nan 8.280 nan 0.000 0.514 98 L N 0.442 121.675 121.223 0.017 0.000 2.121 98 L HA 0.101 4.307 4.340 -0.223 0.000 0.200 98 L C 2.515 179.238 176.870 -0.244 0.000 1.077 98 L CA 1.527 56.254 54.840 -0.188 0.000 0.766 98 L CB -0.637 41.134 42.059 -0.481 0.000 0.931 98 L HN -0.014 nan 8.230 nan 0.000 0.452 99 R N 0.537 120.887 120.500 -0.251 0.000 2.113 99 R HA -0.140 4.066 4.340 -0.223 0.000 0.244 99 R C -0.717 175.448 176.300 -0.224 0.000 1.142 99 R CA 2.348 58.326 56.100 -0.204 0.000 0.953 99 R CB -1.951 28.286 30.300 -0.105 0.000 0.860 99 R HN 0.305 nan 8.270 nan 0.000 0.438 100 P HA -0.065 nan 4.420 nan 0.000 0.222 100 P C 0.700 177.716 177.300 -0.474 0.000 1.147 100 P CA 1.079 63.886 63.100 -0.489 0.000 0.790 100 P CB -0.009 31.130 31.700 -0.936 0.000 0.780 101 L N -1.747 119.262 121.223 -0.356 0.000 2.395 101 L HA 0.003 4.209 4.340 -0.223 0.000 0.218 101 L C 1.144 177.916 176.870 -0.163 0.000 1.130 101 L CA 0.307 55.014 54.840 -0.222 0.000 0.826 101 L CB -0.550 41.437 42.059 -0.120 0.000 0.941 101 L HN -0.046 nan 8.230 nan 0.000 0.451 102 L N 2.335 123.450 121.223 -0.179 0.000 2.437 102 L HA 0.156 4.362 4.340 -0.223 0.000 0.243 102 L C -0.240 176.555 176.870 -0.126 0.000 1.346 102 L CA -0.313 54.435 54.840 -0.153 0.000 1.233 102 L CB -0.377 41.586 42.059 -0.161 0.000 1.436 102 L HN 0.027 nan 8.230 nan 0.000 0.416 103 V N -1.755 118.096 119.914 -0.106 0.000 3.078 103 V HA 0.519 4.506 4.120 -0.223 0.000 0.311 103 V C 0.194 176.261 176.094 -0.045 0.000 1.138 103 V CA -1.024 61.230 62.300 -0.076 0.000 1.007 103 V CB 2.066 33.843 31.823 -0.078 0.000 1.045 103 V HN -0.087 nan 8.190 nan 0.000 0.432 104 V N 3.612 123.514 119.914 -0.021 0.000 2.540 104 V HA 0.302 4.288 4.120 -0.223 0.000 0.297 104 V C 1.004 177.111 176.094 0.022 0.000 1.024 104 V CA 0.685 62.995 62.300 0.018 0.000 1.105 104 V CB 0.239 32.081 31.823 0.031 0.000 0.938 104 V HN 1.109 nan 8.190 nan 0.000 0.482 105 R N 1.733 122.261 120.500 0.048 0.000 2.583 105 R HA 0.223 4.430 4.340 -0.223 0.000 0.329 105 R C -0.074 176.249 176.300 0.039 0.000 1.166 105 R CA -0.441 55.691 56.100 0.053 0.000 1.264 105 R CB -0.051 30.304 30.300 0.092 0.000 1.324 105 R HN 0.636 nan 8.270 nan 0.000 0.684 106 T N -0.846 113.719 114.554 0.018 0.000 2.898 106 T HA 0.313 4.529 4.350 -0.223 0.000 0.301 106 T C -2.258 172.383 174.700 -0.098 0.000 1.049 106 T CA -1.680 60.409 62.100 -0.018 0.000 1.095 106 T CB 0.990 69.844 68.868 -0.022 0.000 0.976 106 T HN 0.025 nan 8.240 nan 0.000 0.539 107 P HA 0.232 nan 4.420 nan 0.000 0.262 107 P C 1.193 178.259 177.300 -0.390 0.000 1.182 107 P CA 1.248 64.137 63.100 -0.350 0.000 0.761 107 P CB 0.124 31.506 31.700 -0.531 0.000 0.795 108 G N 1.860 110.431 108.800 -0.381 0.000 2.205 108 G HA2 -0.255 3.571 3.960 -0.223 0.000 0.261 108 G HA3 -0.255 3.571 3.960 -0.223 0.000 0.261 108 G C 0.423 175.217 174.900 -0.177 0.000 0.980 108 G CA 0.344 45.263 45.100 -0.302 0.000 0.632 108 G HN 0.787 nan 8.290 nan 0.000 0.533 109 S N 0.437 116.058 115.700 -0.131 0.000 2.603 109 S HA 0.610 4.947 4.470 -0.223 0.000 0.268 109 S C -0.749 173.818 174.600 -0.055 0.000 1.317 109 S CA -0.449 57.704 58.200 -0.079 0.000 1.012 109 S CB 2.068 65.236 63.200 -0.053 0.000 0.926 109 S HN 0.007 nan 8.310 nan 0.000 0.539 110 P HA 0.018 nan 4.420 nan 0.000 0.215 110 P C 1.732 179.021 177.300 -0.018 0.000 1.153 110 P CA 1.576 64.658 63.100 -0.031 0.000 0.853 110 P CB -0.456 31.226 31.700 -0.030 0.000 0.788 111 G N -0.064 108.727 108.800 -0.015 0.000 2.418 111 G HA2 -0.312 3.514 3.960 -0.223 0.000 0.217 111 G HA3 -0.312 3.514 3.960 -0.223 0.000 0.217 111 G C 1.673 176.588 174.900 0.025 0.000 1.158 111 G CA 0.711 45.807 45.100 -0.006 0.000 0.771 111 G HN 0.281 nan 8.290 nan 0.000 0.545 112 N N 0.606 119.330 118.700 0.040 0.000 2.120 112 N HA -0.108 4.499 4.740 -0.223 0.000 0.188 112 N C 2.258 177.854 175.510 0.142 0.000 1.024 112 N CA 1.419 54.541 53.050 0.120 0.000 0.852 112 N CB -0.272 38.246 38.487 0.051 0.000 1.003 112 N HN 0.247 nan 8.380 nan 0.000 0.424 113 L N 1.750 123.004 121.223 0.051 0.000 2.012 113 L HA -0.147 4.060 4.340 -0.223 0.000 0.210 113 L C 2.386 179.265 176.870 0.015 0.000 1.073 113 L CA 1.716 56.572 54.840 0.027 0.000 0.748 113 L CB -0.829 41.225 42.059 -0.009 0.000 0.891 113 L HN 0.219 nan 8.230 nan 0.000 0.431 114 Q N -1.354 118.451 119.800 0.009 0.000 2.084 114 Q HA -0.160 4.046 4.340 -0.223 0.000 0.202 114 Q C 2.192 178.199 176.000 0.011 0.000 0.978 114 Q CA 1.832 57.635 55.803 0.001 0.000 0.844 114 Q CB -0.255 28.473 28.738 -0.017 0.000 0.898 114 Q HN 0.456 nan 8.270 nan 0.000 0.426 115 V N 0.946 120.868 119.914 0.013 0.000 2.343 115 V HA -0.279 3.707 4.120 -0.223 0.000 0.247 115 V C 2.337 178.376 176.094 -0.092 0.000 1.051 115 V CA 1.930 64.234 62.300 0.006 0.000 1.036 115 V CB -0.600 31.261 31.823 0.063 0.000 0.654 115 V HN 0.343 nan 8.190 nan 0.000 0.451 116 R N 0.220 120.617 120.500 -0.172 0.000 2.083 116 R HA -0.206 4.000 4.340 -0.223 0.000 0.237 116 R C 2.366 178.535 176.300 -0.218 0.000 1.137 116 R CA 1.583 57.472 56.100 -0.351 0.000 0.951 116 R CB -0.134 30.079 30.300 -0.145 0.000 0.851 116 R HN 0.308 nan 8.270 nan 0.000 0.434 117 K N 0.146 120.489 120.400 -0.094 0.000 2.097 117 K HA -0.147 4.039 4.320 -0.223 0.000 0.205 117 K C 1.812 178.367 176.600 -0.074 0.000 1.050 117 K CA 1.099 57.341 56.287 -0.076 0.000 0.938 117 K CB -0.658 31.824 32.500 -0.030 0.000 0.718 117 K HN 0.238 nan 8.250 nan 0.000 0.442 118 F N 1.847 121.692 119.950 -0.176 0.000 2.102 118 F HA -0.156 4.234 4.527 -0.229 0.000 0.298 118 F C 1.907 177.556 175.800 -0.251 0.000 1.105 118 F CA 1.240 59.137 58.000 -0.173 0.000 1.239 118 F CB -0.282 38.631 39.000 -0.144 0.000 0.991 118 F HN -0.131 nan 8.300 nan 0.000 0.474 119 L N 0.188 121.192 121.223 -0.366 0.000 2.017 119 L HA -0.220 3.986 4.340 -0.223 0.000 0.208 119 L C 2.471 178.990 176.870 -0.585 0.000 1.073 119 L CA 1.854 56.300 54.840 -0.657 0.000 0.745 119 L CB -0.863 40.720 42.059 -0.793 0.000 0.894 119 L HN 0.196 nan 8.230 nan 0.000 0.432 120 E N 0.089 120.045 120.200 -0.406 0.000 2.058 120 E HA -0.242 3.974 4.350 -0.223 0.000 0.194 120 E C 2.287 178.714 176.600 -0.288 0.000 0.997 120 E CA 1.291 57.511 56.400 -0.301 0.000 0.801 120 E CB -0.208 29.372 29.700 -0.199 0.000 0.746 120 E HN 0.509 nan 8.360 nan 0.000 0.450 121 A N 0.776 123.428 122.820 -0.279 0.000 1.930 121 A HA -0.152 4.034 4.320 -0.223 0.000 0.217 121 A C 2.363 179.768 177.584 -0.298 0.000 1.175 121 A CA 1.766 53.661 52.037 -0.235 0.000 0.627 121 A CB -0.754 18.139 19.000 -0.178 0.000 0.815 121 A HN 0.173 nan 8.150 nan 0.000 0.443 122 T N 0.539 114.812 114.554 -0.468 0.000 2.708 122 T HA -0.086 4.130 4.350 -0.223 0.000 0.266 122 T C 1.812 176.274 174.700 -0.396 0.000 1.037 122 T CA 1.523 63.343 62.100 -0.466 0.000 1.146 122 T CB -0.385 68.051 68.868 -0.720 0.000 0.865 122 T HN 0.364 nan 8.240 nan 0.000 0.435 123 L N 0.333 121.284 121.223 -0.454 0.000 2.046 123 L HA -0.047 4.160 4.340 -0.223 0.000 0.208 123 L C 2.835 179.525 176.870 -0.301 0.000 1.077 123 L CA 1.332 55.895 54.840 -0.463 0.000 0.747 123 L CB -0.443 41.336 42.059 -0.467 0.000 0.896 123 L HN 0.117 nan 8.230 nan 0.000 0.432 124 R N -0.296 120.082 120.500 -0.205 0.000 2.189 124 R HA -0.112 4.094 4.340 -0.223 0.000 0.223 124 R C 2.478 178.737 176.300 -0.069 0.000 1.092 124 R CA 1.384 57.423 56.100 -0.100 0.000 0.989 124 R CB -0.280 29.962 30.300 -0.098 0.000 0.876 124 R HN 0.474 nan 8.270 nan 0.000 0.457 125 S N 0.416 116.053 115.700 -0.105 0.000 2.489 125 S HA 0.026 4.362 4.470 -0.223 0.000 0.228 125 S C 0.915 175.499 174.600 -0.025 0.000 0.995 125 S CA -0.054 58.110 58.200 -0.061 0.000 0.934 125 S CB -0.210 62.944 63.200 -0.076 0.000 0.771 125 S HN 0.104 nan 8.310 nan 0.000 0.522 126 L N 2.926 124.124 121.223 -0.042 0.000 2.540 126 L HA 0.071 4.278 4.340 -0.223 0.000 0.276 126 L C 2.204 179.143 176.870 0.114 0.000 1.212 126 L CA 0.270 55.128 54.840 0.031 0.000 0.893 126 L CB 0.159 42.216 42.059 -0.004 0.000 1.138 126 L HN 0.401 nan 8.230 nan 0.000 0.491 127 T N -0.313 114.303 114.554 0.104 0.000 2.962 127 T HA -0.145 4.071 4.350 -0.223 0.000 0.270 127 T C 1.665 176.430 174.700 0.108 0.000 1.088 127 T CA 0.878 63.032 62.100 0.089 0.000 1.127 127 T CB -0.035 68.872 68.868 0.065 0.000 0.883 127 T HN 0.714 nan 8.240 nan 0.000 0.493 128 A N 1.241 124.159 122.820 0.163 0.000 2.070 128 A HA 0.402 4.588 4.320 -0.223 0.000 0.220 128 A C 1.916 179.555 177.584 0.091 0.000 1.159 128 A CA 1.022 53.126 52.037 0.112 0.000 0.656 128 A CB -1.406 17.653 19.000 0.098 0.000 0.800 128 A HN 1.723 nan 8.150 nan 0.000 0.453 129 G N -2.168 106.748 108.800 0.194 0.000 2.452 129 G HA2 -0.208 3.619 3.960 -0.223 0.000 0.275 129 G HA3 -0.208 3.619 3.960 -0.223 0.000 0.275 129 G C -0.309 174.694 174.900 0.171 0.000 1.131 129 G CA -0.159 45.030 45.100 0.149 0.000 1.031 129 G HN 0.428 nan 8.290 nan 0.000 0.511 130 W N 0.293 121.597 121.300 0.006 0.000 2.137 130 W HA 0.447 4.975 4.660 -0.219 0.000 0.344 130 W C 1.154 177.700 176.519 0.045 0.000 1.286 130 W CA -0.123 57.236 57.345 0.023 0.000 1.240 130 W CB 0.402 29.861 29.460 -0.002 0.000 1.141 130 W HN 0.369 nan 8.180 nan 0.000 0.579 131 H N 2.227 121.418 119.070 0.202 0.000 2.690 131 H HA 0.383 4.805 4.556 -0.223 0.000 0.314 131 H C -1.077 174.348 175.328 0.162 0.000 1.069 131 H CA -0.002 56.126 56.048 0.134 0.000 1.436 131 H CB 0.653 30.463 29.762 0.081 0.000 1.462 131 H HN 0.156 nan 8.280 nan 0.000 0.511 132 V N 6.895 126.650 119.914 -0.264 0.000 2.531 132 V HA 0.237 4.223 4.120 -0.223 0.000 0.301 132 V C -0.416 175.540 176.094 -0.230 0.000 1.034 132 V CA -0.692 61.531 62.300 -0.129 0.000 0.865 132 V CB 1.719 33.488 31.823 -0.089 0.000 0.995 132 V HN 0.885 nan 8.190 nan 0.000 0.424 133 E N 4.527 124.687 120.200 -0.067 0.000 2.356 133 E HA 0.707 4.923 4.350 -0.223 0.000 0.275 133 E C -1.685 174.952 176.600 0.062 0.000 0.904 133 E CA -1.029 55.364 56.400 -0.013 0.000 0.757 133 E CB 2.790 32.538 29.700 0.080 0.000 1.232 133 E HN 0.400 nan 8.360 nan 0.000 0.442 134 L N 1.673 122.937 121.223 0.068 0.000 2.357 134 L HA 0.364 4.571 4.340 -0.223 0.000 0.273 134 L C -0.788 176.180 176.870 0.164 0.000 1.080 134 L CA -0.006 54.901 54.840 0.110 0.000 0.803 134 L CB 1.358 43.463 42.059 0.077 0.000 1.174 134 L HN 0.716 nan 8.230 nan 0.000 0.443 135 D N 5.505 126.042 120.400 0.228 0.000 2.477 135 D HA 0.378 4.885 4.640 -0.223 0.000 0.239 135 D C -2.678 173.823 176.300 0.335 0.000 1.102 135 D CA -1.985 52.193 54.000 0.296 0.000 0.901 135 D CB 0.850 41.866 40.800 0.360 0.000 1.026 135 D HN 0.212 nan 8.370 nan 0.000 0.515 136 P HA 0.416 nan 4.420 nan 0.000 0.292 136 P C -0.969 176.454 177.300 0.205 0.000 1.283 136 P CA -0.646 62.546 63.100 0.153 0.000 0.835 136 P CB 0.803 32.553 31.700 0.084 0.000 1.017 137 F N -1.995 117.909 119.950 -0.076 0.000 2.713 137 F HA 0.634 5.027 4.527 -0.224 0.000 0.311 137 F C -1.393 174.406 175.800 -0.003 0.000 1.141 137 F CA -0.908 57.006 58.000 -0.143 0.000 0.939 137 F CB 0.723 39.349 39.000 -0.623 0.000 1.325 137 F HN 0.038 nan 8.300 nan 0.000 0.453 138 T N 1.863 116.485 114.554 0.112 0.000 2.797 138 T HA 0.838 5.055 4.350 -0.223 0.000 0.279 138 T C -0.605 174.242 174.700 0.246 0.000 0.991 138 T CA -0.337 61.811 62.100 0.079 0.000 0.979 138 T CB 1.338 70.230 68.868 0.039 0.000 0.943 138 T HN 0.992 nan 8.240 nan 0.000 0.444 139 A N 2.232 125.223 122.820 0.285 0.000 2.454 139 A HA 0.793 4.979 4.320 -0.223 0.000 0.302 139 A C 0.012 177.721 177.584 0.209 0.000 1.079 139 A CA -0.810 51.411 52.037 0.307 0.000 0.731 139 A CB 1.317 20.568 19.000 0.418 0.000 1.299 139 A HN 0.668 nan 8.150 nan 0.000 0.413 140 S N 0.838 116.641 115.700 0.172 0.000 2.549 140 S HA 0.538 4.874 4.470 -0.223 0.000 0.279 140 S C 0.564 175.266 174.600 0.170 0.000 1.321 140 S CA 0.460 58.737 58.200 0.128 0.000 1.054 140 S CB 0.448 63.706 63.200 0.097 0.000 0.899 140 S HN 1.205 nan 8.310 nan 0.000 0.497 141 T N -0.164 114.454 114.554 0.106 0.000 2.838 141 T HA 0.532 4.748 4.350 -0.223 0.000 0.292 141 T C -2.642 172.099 174.700 0.069 0.000 1.113 141 T CA -1.811 60.358 62.100 0.115 0.000 1.008 141 T CB 1.046 69.907 68.868 -0.011 0.000 1.259 141 T HN 0.183 nan 8.240 nan 0.000 0.520 142 P HA 0.183 nan 4.420 nan 0.000 0.228 142 P C 0.971 178.273 177.300 0.003 0.000 1.151 142 P CA 0.667 63.785 63.100 0.031 0.000 0.770 142 P CB -0.075 31.643 31.700 0.030 0.000 0.786 143 L N -2.375 118.839 121.223 -0.015 0.000 2.628 143 L HA 0.372 4.579 4.340 -0.223 0.000 0.229 143 L C 1.122 177.968 176.870 -0.039 0.000 1.137 143 L CA -0.066 54.752 54.840 -0.037 0.000 0.909 143 L CB -0.728 41.290 42.059 -0.068 0.000 1.137 143 L HN 0.070 nan 8.230 nan 0.000 0.470 144 G N 0.636 109.423 108.800 -0.022 0.000 2.660 144 G HA2 -0.168 3.658 3.960 -0.223 0.000 0.247 144 G HA3 -0.168 3.658 3.960 -0.223 0.000 0.247 144 G C -2.911 171.973 174.900 -0.027 0.000 1.328 144 G CA -1.176 43.912 45.100 -0.020 0.000 0.884 144 G HN -0.013 nan 8.290 nan 0.000 0.531 145 P HA 0.460 nan 4.420 nan 0.000 0.268 145 P C -0.261 176.982 177.300 -0.094 0.000 1.204 145 P CA -0.137 62.946 63.100 -0.027 0.000 0.768 145 P CB 1.219 32.908 31.700 -0.018 0.000 0.842 146 V N 3.438 123.273 119.914 -0.132 0.000 2.789 146 V HA 0.297 4.283 4.120 -0.223 0.000 0.311 146 V C -0.469 175.376 176.094 -0.415 0.000 1.073 146 V CA -0.654 61.437 62.300 -0.348 0.000 0.921 146 V CB 2.433 33.910 31.823 -0.578 0.000 1.009 146 V HN 0.367 nan 8.190 nan 0.000 0.426 147 D N 2.904 123.013 120.400 -0.485 0.000 2.225 147 D HA 0.597 5.103 4.640 -0.223 0.000 0.248 147 D C -0.767 175.104 176.300 -0.715 0.000 1.096 147 D CA 0.333 54.070 54.000 -0.439 0.000 0.863 147 D CB 1.189 41.823 40.800 -0.277 0.000 1.156 147 D HN 0.238 nan 8.370 nan 0.000 0.450 148 F N 0.135 119.683 119.950 -0.670 0.000 2.579 148 F HA 0.698 5.090 4.527 -0.224 0.000 0.324 148 F C 0.900 176.401 175.800 -0.499 0.000 1.058 148 F CA -0.862 56.727 58.000 -0.684 0.000 0.944 148 F CB 2.480 40.799 39.000 -1.135 0.000 1.245 148 F HN 0.271 nan 8.300 nan 0.000 0.477 149 G N 1.616 110.459 108.800 0.072 0.000 2.668 149 G HA2 0.283 4.109 3.960 -0.223 0.000 0.284 149 G HA3 0.283 4.109 3.960 -0.223 0.000 0.284 149 G C -1.751 173.382 174.900 0.388 0.000 1.456 149 G CA -0.848 44.370 45.100 0.197 0.000 1.214 149 G HN 0.444 nan 8.290 nan 0.000 0.568 150 N N 0.849 119.800 118.700 0.420 0.000 2.514 150 N HA 0.313 4.919 4.740 -0.223 0.000 0.277 150 N C -0.134 175.577 175.510 0.335 0.000 1.126 150 N CA -0.230 53.086 53.050 0.443 0.000 0.978 150 N CB 2.611 41.351 38.487 0.422 0.000 1.106 150 N HN 0.176 nan 8.380 nan 0.000 0.461 151 V N 2.349 122.455 119.914 0.321 0.000 2.383 151 V HA 0.239 4.225 4.120 -0.223 0.000 0.275 151 V C 0.180 176.423 176.094 0.248 0.000 1.036 151 V CA -0.657 61.760 62.300 0.196 0.000 0.889 151 V CB 1.327 33.174 31.823 0.041 0.000 0.985 151 V HN 0.298 nan 8.190 nan 0.000 0.459 152 V N 4.640 124.664 119.914 0.183 0.000 2.350 152 V HA 0.735 4.721 4.120 -0.223 0.000 0.285 152 V C 0.319 176.512 176.094 0.166 0.000 1.014 152 V CA -0.495 61.907 62.300 0.170 0.000 0.831 152 V CB 1.473 33.399 31.823 0.172 0.000 1.000 152 V HN 0.937 nan 8.190 nan 0.000 0.433 153 A N 3.576 126.502 122.820 0.177 0.000 2.273 153 A HA 0.808 4.994 4.320 -0.223 0.000 0.315 153 A C 0.035 177.855 177.584 0.394 0.000 1.256 153 A CA -0.422 51.774 52.037 0.265 0.000 0.851 153 A CB 0.900 19.971 19.000 0.118 0.000 1.172 153 A HN 0.676 nan 8.150 nan 0.000 0.508 154 T N 3.591 118.379 114.554 0.390 0.000 2.815 154 T HA 0.299 4.515 4.350 -0.223 0.000 0.289 154 T C 1.107 175.817 174.700 0.017 0.000 1.000 154 T CA -0.336 61.845 62.100 0.136 0.000 0.958 154 T CB 1.265 70.125 68.868 -0.014 0.000 0.944 154 T HN 0.597 nan 8.240 nan 0.000 0.442 155 L N 2.255 123.197 121.223 -0.468 0.000 1.994 155 L HA 0.138 4.344 4.340 -0.223 0.000 0.208 155 L C 0.546 177.168 176.870 -0.413 0.000 1.071 155 L CA 2.017 56.255 54.840 -1.003 0.000 0.745 155 L CB -0.027 41.159 42.059 -1.455 0.000 0.892 155 L HN 0.559 nan 8.230 nan 0.000 0.431 156 D N -1.032 119.211 120.400 -0.261 0.000 2.446 156 D HA 0.280 4.787 4.640 -0.223 0.000 0.251 156 D C -2.002 174.263 176.300 -0.059 0.000 1.137 156 D CA -2.394 51.529 54.000 -0.129 0.000 0.890 156 D CB 1.351 42.084 40.800 -0.111 0.000 1.071 156 D HN 0.066 nan 8.370 nan 0.000 0.528 157 P HA -0.094 nan 4.420 nan 0.000 0.225 157 P C 1.201 178.519 177.300 0.031 0.000 1.148 157 P CA 0.474 63.537 63.100 -0.061 0.000 0.779 157 P CB 0.193 31.763 31.700 -0.217 0.000 0.780 158 R N 0.144 120.651 120.500 0.013 0.000 2.236 158 R HA 0.152 4.358 4.340 -0.223 0.000 0.208 158 R C 0.686 177.013 176.300 0.044 0.000 1.036 158 R CA 0.220 56.329 56.100 0.015 0.000 1.001 158 R CB -0.305 29.989 30.300 -0.009 0.000 0.896 158 R HN 0.000 nan 8.270 nan 0.000 0.464 159 A N 0.404 123.270 122.820 0.077 0.000 2.407 159 A HA 0.440 4.626 4.320 -0.223 0.000 0.248 159 A C 1.252 178.949 177.584 0.188 0.000 1.082 159 A CA 0.364 52.455 52.037 0.090 0.000 0.785 159 A CB 0.574 19.615 19.000 0.068 0.000 1.020 159 A HN 0.453 nan 8.150 nan 0.000 0.489 160 A N 2.028 124.922 122.820 0.123 0.000 1.902 160 A HA 0.039 4.225 4.320 -0.223 0.000 0.217 160 A C 1.311 179.001 177.584 0.176 0.000 1.181 160 A CA 1.281 53.408 52.037 0.150 0.000 0.623 160 A CB -0.120 18.913 19.000 0.055 0.000 0.818 160 A HN 0.773 nan 8.150 nan 0.000 0.443 161 R N -2.131 118.405 120.500 0.060 0.000 2.795 161 R HA 0.527 4.733 4.340 -0.223 0.000 0.268 161 R C -1.693 174.559 176.300 -0.081 0.000 1.041 161 R CA -0.439 55.586 56.100 -0.125 0.000 0.927 161 R CB 1.407 31.656 30.300 -0.084 0.000 1.235 161 R HN 0.702 nan 8.270 nan 0.000 0.463 162 H N -1.631 117.442 119.070 0.004 0.000 3.046 162 H HA 0.415 4.837 4.556 -0.223 0.000 0.363 162 H C -1.117 174.185 175.328 -0.043 0.000 1.203 162 H CA -0.993 55.041 56.048 -0.023 0.000 1.169 162 H CB 0.808 30.537 29.762 -0.055 0.000 1.851 162 H HN 0.341 nan 8.280 nan 0.000 0.546 163 L N 1.867 123.119 121.223 0.047 0.000 2.410 163 L HA 0.371 4.577 4.340 -0.223 0.000 0.273 163 L C -0.430 176.392 176.870 -0.079 0.000 1.144 163 L CA 0.752 55.494 54.840 -0.164 0.000 0.863 163 L CB 0.543 42.332 42.059 -0.450 0.000 1.140 163 L HN 0.888 nan 8.230 nan 0.000 0.463 164 T N 6.952 121.434 114.554 -0.120 0.000 2.770 164 T HA 0.542 4.758 4.350 -0.223 0.000 0.283 164 T C -0.235 174.215 174.700 -0.415 0.000 0.988 164 T CA -0.358 61.611 62.100 -0.220 0.000 0.957 164 T CB 0.589 69.346 68.868 -0.184 0.000 0.930 164 T HN 0.448 nan 8.240 nan 0.000 0.443 165 L N 2.751 123.740 121.223 -0.390 0.000 2.317 165 L HA 0.875 5.081 4.340 -0.223 0.000 0.281 165 L C 0.149 176.695 176.870 -0.541 0.000 1.024 165 L CA -0.938 53.641 54.840 -0.436 0.000 0.810 165 L CB 1.417 43.296 42.059 -0.301 0.000 1.240 165 L HN 0.688 nan 8.230 nan 0.000 0.427 166 A N 2.121 124.597 122.820 -0.573 0.000 2.515 166 A HA 0.930 5.117 4.320 -0.223 0.000 0.296 166 A C -0.782 176.622 177.584 -0.300 0.000 1.094 166 A CA -0.518 51.205 52.037 -0.524 0.000 0.718 166 A CB 1.884 20.455 19.000 -0.716 0.000 1.307 166 A HN 0.969 nan 8.150 nan 0.000 0.408 167 C N -0.691 118.496 119.300 -0.189 0.000 3.295 167 C HA 0.854 5.180 4.460 -0.223 0.000 0.341 167 C C -0.814 174.272 174.990 0.160 0.000 1.418 167 C CA -0.704 58.309 59.018 -0.008 0.000 1.240 167 C CB 0.491 28.186 27.740 -0.075 0.000 1.562 167 C HN 1.569 nan 8.230 nan 0.000 0.457 168 H N -0.685 118.492 119.070 0.178 0.000 2.457 168 H HA 0.647 5.072 4.556 -0.218 0.000 0.335 168 H C -0.070 175.421 175.328 0.272 0.000 1.115 168 H CA -0.272 55.910 56.048 0.223 0.000 1.219 168 H CB 0.836 30.720 29.762 0.204 0.000 1.471 168 H HN 0.894 nan 8.280 nan 0.000 0.491 169 Y N 1.084 121.532 120.300 0.247 0.000 2.458 169 Y HA 0.167 4.582 4.550 -0.226 0.000 0.254 169 Y C -0.151 175.862 175.900 0.188 0.000 1.120 169 Y CA -0.706 57.492 58.100 0.164 0.000 1.282 169 Y CB 0.069 38.639 38.460 0.182 0.000 1.109 169 Y HN 0.667 nan 8.280 nan 0.000 0.526 170 D N 2.064 122.413 120.400 -0.084 0.000 2.357 170 D HA 0.157 4.663 4.640 -0.223 0.000 0.242 170 D C -0.163 176.283 176.300 0.243 0.000 1.153 170 D CA 0.176 54.182 54.000 0.010 0.000 0.918 170 D CB 1.714 42.507 40.800 -0.012 0.000 1.181 170 D HN 0.320 nan 8.370 nan 0.000 0.435 171 S N -0.380 115.437 115.700 0.195 0.000 2.537 171 S HA 0.338 4.674 4.470 -0.223 0.000 0.301 171 S C -0.096 174.662 174.600 0.263 0.000 1.092 171 S CA -1.134 57.246 58.200 0.299 0.000 1.048 171 S CB 1.997 65.339 63.200 0.237 0.000 1.053 171 S HN 0.579 nan 8.310 nan 0.000 0.501 172 K N 1.210 121.799 120.400 0.315 0.000 2.412 172 K HA 0.185 4.371 4.320 -0.223 0.000 0.281 172 K C -0.517 176.007 176.600 -0.127 0.000 1.027 172 K CA -0.628 55.609 56.287 -0.083 0.000 0.989 172 K CB 0.198 32.377 32.500 -0.536 0.000 0.935 172 K HN 0.631 nan 8.250 nan 0.000 0.475 173 L N 5.626 126.703 121.223 -0.243 0.000 2.360 173 L HA 0.299 4.505 4.340 -0.223 0.000 0.276 173 L C -1.347 175.238 176.870 -0.475 0.000 1.121 173 L CA 0.591 55.313 54.840 -0.197 0.000 0.845 173 L CB -0.027 41.942 42.059 -0.150 0.000 1.143 173 L HN 0.506 nan 8.230 nan 0.000 0.452 174 F N 5.125 125.018 119.950 -0.096 0.000 2.538 174 F HA 0.653 5.045 4.527 -0.224 0.000 0.325 174 F C -1.632 174.136 175.800 -0.053 0.000 1.066 174 F CA -1.683 56.253 58.000 -0.107 0.000 0.946 174 F CB 0.770 39.695 39.000 -0.124 0.000 1.199 174 F HN 0.490 nan 8.300 nan 0.000 0.473 175 P HA 0.239 nan 4.420 nan 0.000 0.272 175 P C -2.626 174.724 177.300 0.083 0.000 1.223 175 P CA -0.990 62.159 63.100 0.081 0.000 0.784 175 P CB -0.210 31.526 31.700 0.061 0.000 0.923 176 P HA 0.237 nan 4.420 nan 0.000 0.269 176 P C 0.821 178.140 177.300 0.032 0.000 1.217 176 P CA 0.722 63.845 63.100 0.037 0.000 0.783 176 P CB 0.007 31.720 31.700 0.022 0.000 0.898 177 G N -0.769 108.045 108.800 0.023 0.000 2.175 177 G HA2 -0.112 3.714 3.960 -0.223 0.000 0.182 177 G HA3 -0.112 3.714 3.960 -0.223 0.000 0.182 177 G C 0.208 175.112 174.900 0.008 0.000 1.003 177 G CA -0.047 45.062 45.100 0.014 0.000 0.666 177 G HN 0.609 nan 8.290 nan 0.000 0.506 178 S N -0.758 114.946 115.700 0.006 0.000 2.740 178 S HA 0.761 5.097 4.470 -0.223 0.000 0.300 178 S C 0.181 174.775 174.600 -0.009 0.000 1.147 178 S CA -0.183 58.010 58.200 -0.012 0.000 0.871 178 S CB 1.508 64.684 63.200 -0.041 0.000 1.173 178 S HN 0.393 nan 8.310 nan 0.000 0.510 179 T N 4.089 118.631 114.554 -0.020 0.000 2.928 179 T HA 0.212 4.429 4.350 -0.223 0.000 0.305 179 T C -2.344 172.352 174.700 -0.006 0.000 1.035 179 T CA -0.244 61.847 62.100 -0.015 0.000 1.145 179 T CB -0.132 68.721 68.868 -0.025 0.000 0.963 179 T HN 0.247 nan 8.240 nan 0.000 0.545 180 P HA 0.160 nan 4.420 nan 0.000 0.268 180 P C -0.749 176.584 177.300 0.056 0.000 1.205 180 P CA -0.384 62.742 63.100 0.043 0.000 0.771 180 P CB 0.260 31.975 31.700 0.025 0.000 0.858 181 F N 4.384 124.312 119.950 -0.035 0.000 2.421 181 F HA 0.229 4.627 4.527 -0.215 0.000 0.358 181 F C 0.947 176.761 175.800 0.024 0.000 1.115 181 F CA -0.237 57.741 58.000 -0.037 0.000 1.160 181 F CB 0.629 39.638 39.000 0.015 0.000 1.123 181 F HN 0.120 nan 8.300 nan 0.000 0.508 182 V N 3.256 122.803 119.914 -0.612 0.000 3.528 182 V HA 0.395 4.382 4.120 -0.223 0.000 0.294 182 V C 0.988 176.716 176.094 -0.610 0.000 1.404 182 V CA 0.198 62.232 62.300 -0.443 0.000 1.065 182 V CB -0.315 31.362 31.823 -0.244 0.000 0.904 182 V HN 1.274 nan 8.190 nan 0.000 0.435 183 G N 1.181 109.235 108.800 -1.242 0.000 2.372 183 G HA2 -0.155 3.671 3.960 -0.223 0.000 0.297 183 G HA3 -0.155 3.671 3.960 -0.223 0.000 0.297 183 G C 0.965 175.705 174.900 -0.267 0.000 1.005 183 G CA 0.668 45.368 45.100 -0.666 0.000 1.173 183 G HN 1.408 nan 8.290 nan 0.000 0.511 184 A N 0.375 123.049 122.820 -0.242 0.000 1.877 184 A HA 0.032 4.218 4.320 -0.223 0.000 0.216 184 A C 2.686 180.220 177.584 -0.083 0.000 1.186 184 A CA 2.779 54.726 52.037 -0.150 0.000 0.620 184 A CB -0.719 18.206 19.000 -0.125 0.000 0.822 184 A HN 1.739 nan 8.150 nan 0.000 0.443 185 T N -3.624 110.920 114.554 -0.016 0.000 3.055 185 T HA 0.027 4.244 4.350 -0.223 0.000 0.265 185 T C 0.386 175.124 174.700 0.064 0.000 1.111 185 T CA 1.241 63.363 62.100 0.037 0.000 1.118 185 T CB -0.024 68.898 68.868 0.091 0.000 0.909 185 T HN 0.278 nan 8.240 nan 0.000 0.501 186 D N 0.394 120.842 120.400 0.079 0.000 2.656 186 D HA 0.346 4.852 4.640 -0.223 0.000 0.303 186 D C -0.752 175.602 176.300 0.090 0.000 1.199 186 D CA -0.486 53.632 54.000 0.196 0.000 0.797 186 D CB 0.356 41.397 40.800 0.402 0.000 1.170 186 D HN 0.101 nan 8.370 nan 0.000 0.509 187 S N 0.312 115.884 115.700 -0.215 0.000 2.665 187 S HA 0.374 4.710 4.470 -0.223 0.000 0.235 187 S C 1.215 175.741 174.600 -0.122 0.000 1.084 187 S CA 0.050 58.129 58.200 -0.202 0.000 1.151 187 S CB 0.957 63.933 63.200 -0.373 0.000 1.151 187 S HN 0.425 nan 8.310 nan 0.000 0.461 188 A N 0.800 123.563 122.820 -0.094 0.000 1.902 188 A HA -0.015 4.171 4.320 -0.223 0.000 0.217 188 A C 2.022 179.559 177.584 -0.077 0.000 1.181 188 A CA 1.611 53.601 52.037 -0.078 0.000 0.623 188 A CB -0.628 18.299 19.000 -0.121 0.000 0.818 188 A HN 0.426 nan 8.150 nan 0.000 0.443 189 V N 0.496 120.353 119.914 -0.095 0.000 2.295 189 V HA -0.160 3.826 4.120 -0.223 0.000 0.246 189 V C -0.113 175.957 176.094 -0.040 0.000 1.049 189 V CA 2.518 64.763 62.300 -0.093 0.000 1.024 189 V CB -1.437 30.331 31.823 -0.092 0.000 0.648 189 V HN 0.358 nan 8.190 nan 0.000 0.447 190 P HA -0.159 nan 4.420 nan 0.000 0.215 190 P C 1.859 179.161 177.300 0.004 0.000 1.157 190 P CA 1.829 64.915 63.100 -0.023 0.000 0.874 190 P CB -0.206 31.477 31.700 -0.028 0.000 0.790 191 C N -0.735 118.600 119.300 0.059 0.000 2.432 191 C HA -0.079 4.247 4.460 -0.223 0.000 0.277 191 C C 2.922 178.010 174.990 0.163 0.000 1.249 191 C CA 1.342 60.492 59.018 0.219 0.000 1.725 191 C CB -1.831 26.051 27.740 0.236 0.000 2.028 191 C HN 0.235 nan 8.230 nan 0.000 0.477 192 A N 0.109 122.974 122.820 0.075 0.000 1.933 192 A HA -0.083 4.103 4.320 -0.223 0.000 0.218 192 A C 2.106 179.731 177.584 0.067 0.000 1.175 192 A CA 1.373 53.460 52.037 0.082 0.000 0.628 192 A CB -0.588 18.442 19.000 0.049 0.000 0.814 192 A HN 0.624 nan 8.150 nan 0.000 0.444 193 L N -0.529 120.718 121.223 0.042 0.000 2.012 193 L HA -0.205 4.001 4.340 -0.223 0.000 0.210 193 L C 2.567 179.440 176.870 0.004 0.000 1.073 193 L CA 1.197 56.060 54.840 0.038 0.000 0.748 193 L CB -0.548 41.519 42.059 0.013 0.000 0.891 193 L HN 0.392 nan 8.230 nan 0.000 0.431 194 L N -0.664 120.547 121.223 -0.019 0.000 2.046 194 L HA -0.245 3.961 4.340 -0.223 0.000 0.208 194 L C 2.531 179.347 176.870 -0.089 0.000 1.077 194 L CA 1.254 56.060 54.840 -0.057 0.000 0.747 194 L CB -0.545 41.440 42.059 -0.123 0.000 0.896 194 L HN 0.298 nan 8.230 nan 0.000 0.432 195 L N -0.365 120.763 121.223 -0.158 0.000 2.046 195 L HA -0.213 3.993 4.340 -0.223 0.000 0.208 195 L C 2.656 179.227 176.870 -0.499 0.000 1.077 195 L CA 1.160 55.687 54.840 -0.521 0.000 0.747 195 L CB -0.469 41.017 42.059 -0.954 0.000 0.896 195 L HN 0.248 nan 8.230 nan 0.000 0.432 196 E N 0.837 120.928 120.200 -0.182 0.000 2.077 196 E HA -0.194 4.022 4.350 -0.223 0.000 0.193 196 E C 2.164 178.813 176.600 0.081 0.000 0.989 196 E CA 1.360 57.843 56.400 0.139 0.000 0.800 196 E CB -0.287 29.576 29.700 0.272 0.000 0.746 196 E HN 0.357 nan 8.360 nan 0.000 0.452 197 L N -0.035 121.211 121.223 0.039 0.000 2.012 197 L HA -0.174 4.032 4.340 -0.223 0.000 0.210 197 L C 2.577 179.483 176.870 0.061 0.000 1.073 197 L CA 1.326 56.201 54.840 0.057 0.000 0.748 197 L CB -0.702 41.383 42.059 0.044 0.000 0.891 197 L HN 0.234 nan 8.230 nan 0.000 0.431 198 A N -0.521 122.304 122.820 0.008 0.000 1.933 198 A HA -0.285 3.901 4.320 -0.223 0.000 0.218 198 A C 2.204 179.830 177.584 0.069 0.000 1.175 198 A CA 2.038 54.106 52.037 0.052 0.000 0.628 198 A CB -0.490 18.393 19.000 -0.196 0.000 0.814 198 A HN 0.435 nan 8.150 nan 0.000 0.444 199 Q N -0.316 119.494 119.800 0.017 0.000 2.049 199 Q HA 0.104 4.310 4.340 -0.223 0.000 0.198 199 Q C 2.063 178.128 176.000 0.109 0.000 0.971 199 Q CA 2.047 57.899 55.803 0.081 0.000 0.833 199 Q CB -0.623 28.213 28.738 0.163 0.000 0.896 199 Q HN 0.498 nan 8.270 nan 0.000 0.434 200 A N 0.055 122.943 122.820 0.113 0.000 1.933 200 A HA -0.075 4.112 4.320 -0.223 0.000 0.218 200 A C 1.708 179.346 177.584 0.091 0.000 1.175 200 A CA 1.307 53.405 52.037 0.102 0.000 0.628 200 A CB -0.499 18.564 19.000 0.105 0.000 0.814 200 A HN 0.433 nan 8.150 nan 0.000 0.444 201 L N -0.605 120.678 121.223 0.100 0.000 2.685 201 L HA 0.083 4.289 4.340 -0.223 0.000 0.233 201 L C 1.448 178.383 176.870 0.107 0.000 1.173 201 L CA 0.302 55.200 54.840 0.096 0.000 0.961 201 L CB -0.021 42.097 42.059 0.097 0.000 1.217 201 L HN 0.414 nan 8.230 nan 0.000 0.478 202 D N 0.624 121.095 120.400 0.118 0.000 2.123 202 D HA -0.215 4.291 4.640 -0.223 0.000 0.196 202 D C 2.199 178.556 176.300 0.094 0.000 0.992 202 D CA 1.392 55.474 54.000 0.138 0.000 0.833 202 D CB 0.233 41.113 40.800 0.133 0.000 0.954 202 D HN 0.258 nan 8.370 nan 0.000 0.455 203 L N -0.061 121.204 121.223 0.070 0.000 2.046 203 L HA -0.134 4.072 4.340 -0.223 0.000 0.208 203 L C 2.402 179.294 176.870 0.037 0.000 1.077 203 L CA 1.343 56.212 54.840 0.048 0.000 0.747 203 L CB -0.490 41.594 42.059 0.041 0.000 0.896 203 L HN 0.094 nan 8.230 nan 0.000 0.432 204 E N 0.278 120.502 120.200 0.040 0.000 2.077 204 E HA -0.185 4.032 4.350 -0.223 0.000 0.193 204 E C 2.261 178.870 176.600 0.015 0.000 0.989 204 E CA 0.998 57.415 56.400 0.027 0.000 0.800 204 E CB -0.217 29.502 29.700 0.033 0.000 0.746 204 E HN 0.358 nan 8.360 nan 0.000 0.452 205 L N 0.170 121.408 121.223 0.025 0.000 2.046 205 L HA -0.184 4.023 4.340 -0.223 0.000 0.208 205 L C 2.526 179.364 176.870 -0.053 0.000 1.077 205 L CA 1.194 56.025 54.840 -0.017 0.000 0.747 205 L CB -0.487 41.584 42.059 0.020 0.000 0.896 205 L HN 0.153 nan 8.230 nan 0.000 0.432 206 S N -0.115 115.576 115.700 -0.016 0.000 2.370 206 S HA -0.256 4.080 4.470 -0.223 0.000 0.226 206 S C 2.224 176.808 174.600 -0.026 0.000 1.033 206 S CA 1.615 59.800 58.200 -0.024 0.000 1.011 206 S CB -0.200 63.008 63.200 0.014 0.000 0.852 206 S HN 0.354 nan 8.310 nan 0.000 0.457 207 R N 0.555 121.048 120.500 -0.011 0.000 2.081 207 R HA -0.036 4.171 4.340 -0.223 0.000 0.235 207 R C 2.363 178.651 176.300 -0.020 0.000 1.131 207 R CA 1.459 57.553 56.100 -0.010 0.000 0.960 207 R CB -0.797 29.503 30.300 -0.001 0.000 0.856 207 R HN 0.435 nan 8.270 nan 0.000 0.436 208 A N 1.667 124.471 122.820 -0.027 0.000 1.883 208 A HA -0.230 3.957 4.320 -0.223 0.000 0.217 208 A C 2.155 179.711 177.584 -0.047 0.000 1.186 208 A CA 1.813 53.831 52.037 -0.033 0.000 0.624 208 A CB -0.565 18.414 19.000 -0.035 0.000 0.822 208 A HN 0.479 nan 8.150 nan 0.000 0.444 209 K N -0.069 120.288 120.400 -0.071 0.000 2.026 209 K HA -0.169 4.017 4.320 -0.223 0.000 0.208 209 K C 1.959 178.529 176.600 -0.051 0.000 1.048 209 K CA 1.737 57.974 56.287 -0.083 0.000 0.929 209 K CB -0.205 32.220 32.500 -0.125 0.000 0.713 209 K HN 0.428 nan 8.250 nan 0.000 0.439 210 K N 0.427 120.804 120.400 -0.039 0.000 2.152 210 K HA -0.165 4.021 4.320 -0.223 0.000 0.206 210 K C 1.930 178.518 176.600 -0.019 0.000 1.048 210 K CA 1.632 57.905 56.287 -0.024 0.000 0.933 210 K CB 0.002 32.493 32.500 -0.016 0.000 0.721 210 K HN 0.333 nan 8.250 nan 0.000 0.447 211 Q N -0.192 119.596 119.800 -0.020 0.000 2.415 211 Q HA 0.167 4.373 4.340 -0.223 0.000 0.206 211 Q C 0.082 176.072 176.000 -0.016 0.000 0.946 211 Q CA 0.286 56.080 55.803 -0.015 0.000 0.951 211 Q CB 0.425 29.155 28.738 -0.013 0.000 1.026 211 Q HN 0.334 nan 8.270 nan 0.000 0.510 212 A N 0.520 123.328 122.820 -0.021 0.000 2.687 212 A HA -0.167 4.019 4.320 -0.223 0.000 0.299 212 A C 0.553 178.127 177.584 -0.015 0.000 1.497 212 A CA 0.330 52.356 52.037 -0.019 0.000 0.751 212 A CB -1.961 17.031 19.000 -0.014 0.000 1.048 212 A HN 0.530 nan 8.150 nan 0.000 0.464 213 A N 0.640 123.449 122.820 -0.020 0.000 2.520 213 A HA 0.489 4.675 4.320 -0.223 0.000 0.235 213 A C 0.203 177.783 177.584 -0.005 0.000 1.065 213 A CA -0.200 51.829 52.037 -0.014 0.000 0.764 213 A CB 0.065 19.055 19.000 -0.018 0.000 1.002 213 A HN 0.615 nan 8.150 nan 0.000 0.502 214 P HA 0.024 nan 4.420 nan 0.000 0.222 214 P C -0.009 177.305 177.300 0.023 0.000 1.153 214 P CA 0.818 63.923 63.100 0.009 0.000 0.798 214 P CB 0.077 31.780 31.700 0.006 0.000 0.796 215 V N 0.312 120.242 119.914 0.028 0.000 2.409 215 V HA 0.297 4.283 4.120 -0.223 0.000 0.291 215 V C 0.588 176.710 176.094 0.046 0.000 1.020 215 V CA -0.311 62.021 62.300 0.053 0.000 0.848 215 V CB 1.425 33.297 31.823 0.081 0.000 0.990 215 V HN 0.038 nan 8.190 nan 0.000 0.430 216 T N 4.138 118.725 114.554 0.054 0.000 2.902 216 T HA 0.709 4.925 4.350 -0.223 0.000 0.287 216 T C -0.950 173.753 174.700 0.005 0.000 1.048 216 T CA -0.380 61.716 62.100 -0.007 0.000 0.941 216 T CB 1.258 70.095 68.868 -0.050 0.000 1.432 216 T HN 0.381 nan 8.240 nan 0.000 0.586 217 L N 1.810 122.971 121.223 -0.104 0.000 2.365 217 L HA 0.625 4.831 4.340 -0.223 0.000 0.273 217 L C -0.756 176.072 176.870 -0.070 0.000 1.000 217 L CA -0.363 54.438 54.840 -0.064 0.000 0.819 217 L CB 1.676 43.714 42.059 -0.036 0.000 1.284 217 L HN 0.708 nan 8.230 nan 0.000 0.418 218 Q N 4.263 124.041 119.800 -0.037 0.000 2.356 218 Q HA 0.674 4.880 4.340 -0.223 0.000 0.270 218 Q C -2.097 173.888 176.000 -0.025 0.000 1.058 218 Q CA -0.687 55.076 55.803 -0.068 0.000 0.802 218 Q CB 1.867 30.328 28.738 -0.462 0.000 1.303 218 Q HN 0.754 nan 8.270 nan 0.000 0.444 219 L N 4.653 125.890 121.223 0.024 0.000 2.356 219 L HA 0.551 4.757 4.340 -0.223 0.000 0.277 219 L C -0.941 175.791 176.870 -0.231 0.000 0.996 219 L CA -0.788 53.929 54.840 -0.205 0.000 0.822 219 L CB 1.596 43.533 42.059 -0.203 0.000 1.256 219 L HN 0.536 nan 8.230 nan 0.000 0.413 220 L N 3.449 124.425 121.223 -0.412 0.000 2.313 220 L HA 0.511 4.717 4.340 -0.223 0.000 0.283 220 L C -1.137 175.490 176.870 -0.405 0.000 1.013 220 L CA -0.322 54.378 54.840 -0.233 0.000 0.816 220 L CB 1.580 43.547 42.059 -0.153 0.000 1.236 220 L HN 0.415 nan 8.230 nan 0.000 0.419 221 F N 4.004 124.006 119.950 0.088 0.000 2.325 221 F HA 0.450 4.839 4.527 -0.230 0.000 0.369 221 F C -0.001 176.040 175.800 0.403 0.000 1.095 221 F CA -0.472 57.647 58.000 0.199 0.000 1.082 221 F CB 1.006 40.053 39.000 0.079 0.000 1.289 221 F HN 0.219 nan 8.300 nan 0.000 0.462 222 L N 2.827 124.332 121.223 0.470 0.000 2.350 222 L HA 0.364 4.570 4.340 -0.223 0.000 0.275 222 L C 0.121 177.171 176.870 0.300 0.000 1.099 222 L CA -0.426 54.663 54.840 0.414 0.000 0.808 222 L CB 0.668 42.937 42.059 0.350 0.000 1.149 222 L HN 0.442 nan 8.230 nan 0.000 0.442 223 D N 1.161 121.698 120.400 0.228 0.000 2.340 223 D HA 0.368 4.874 4.640 -0.223 0.000 0.251 223 D C 0.856 177.266 176.300 0.183 0.000 1.080 223 D CA 0.499 54.482 54.000 -0.029 0.000 0.971 223 D CB 1.635 42.494 40.800 0.099 0.000 1.137 223 D HN 0.684 nan 8.370 nan 0.000 0.475 224 G N 1.964 110.888 108.800 0.206 0.000 2.249 224 G HA2 -0.303 3.524 3.960 -0.223 0.000 0.273 224 G HA3 -0.303 3.524 3.960 -0.223 0.000 0.273 224 G C 0.939 175.978 174.900 0.232 0.000 1.036 224 G CA 0.786 46.090 45.100 0.341 0.000 0.824 224 G HN 0.590 nan 8.290 nan 0.000 0.504 225 E N -0.036 120.236 120.200 0.120 0.000 2.077 225 E HA -0.095 4.122 4.350 -0.223 0.000 0.193 225 E C 1.003 177.661 176.600 0.097 0.000 0.989 225 E CA 0.936 57.366 56.400 0.050 0.000 0.800 225 E CB 0.057 29.663 29.700 -0.158 0.000 0.746 225 E HN 0.687 nan 8.360 nan 0.000 0.452 226 E N 0.344 120.601 120.200 0.095 0.000 2.349 226 E HA 0.309 4.525 4.350 -0.223 0.000 0.265 226 E C -0.401 176.294 176.600 0.157 0.000 1.064 226 E CA -0.155 56.365 56.400 0.200 0.000 0.886 226 E CB 1.195 30.937 29.700 0.070 0.000 1.036 226 E HN 0.198 nan 8.360 nan 0.000 0.413 227 A N 2.587 125.513 122.820 0.177 0.000 2.498 227 A HA 0.060 4.247 4.320 -0.223 0.000 0.239 227 A C 1.137 178.748 177.584 0.044 0.000 1.068 227 A CA 0.012 52.098 52.037 0.081 0.000 0.766 227 A CB 0.115 19.195 19.000 0.134 0.000 1.003 227 A HN 0.678 nan 8.150 nan 0.000 0.497 228 L N 0.602 121.875 121.223 0.083 0.000 2.270 228 L HA 0.061 4.267 4.340 -0.223 0.000 0.210 228 L C 1.511 178.342 176.870 -0.064 0.000 1.104 228 L CA 0.951 55.786 54.840 -0.007 0.000 0.804 228 L CB -0.075 41.990 42.059 0.009 0.000 0.937 228 L HN 0.667 nan 8.230 nan 0.000 0.450 229 K N -0.154 120.228 120.400 -0.030 0.000 2.608 229 K HA 0.233 4.419 4.320 -0.223 0.000 0.209 229 K C -0.817 175.771 176.600 -0.019 0.000 1.369 229 K CA 0.177 56.438 56.287 -0.043 0.000 1.029 229 K CB 1.232 33.719 32.500 -0.022 0.000 1.139 229 K HN 0.359 nan 8.250 nan 0.000 0.623 230 E N -0.612 119.598 120.200 0.016 0.000 4.021 230 E HA -0.023 4.194 4.350 -0.223 0.000 0.369 230 E C -1.392 175.280 176.600 0.121 0.000 1.087 230 E CA -0.651 55.793 56.400 0.074 0.000 0.852 230 E CB -0.493 29.246 29.700 0.066 0.000 1.204 230 E HN 0.010 nan 8.360 nan 0.000 0.536 231 W N 4.219 125.532 121.300 0.022 0.000 2.303 231 W HA 0.565 5.091 4.660 -0.223 0.000 0.318 231 W C -0.236 176.295 176.519 0.019 0.000 1.362 231 W CA 1.708 59.072 57.345 0.032 0.000 1.234 231 W CB 1.245 30.756 29.460 0.084 0.000 1.248 231 W HN 0.917 nan 8.180 nan 0.000 0.546 232 G N 5.979 114.559 108.800 -0.368 0.000 2.506 232 G HA2 0.251 4.077 3.960 -0.223 0.000 0.292 232 G HA3 0.251 4.077 3.960 -0.223 0.000 0.292 232 G C -2.393 172.265 174.900 -0.403 0.000 1.425 232 G CA -0.784 44.195 45.100 -0.201 0.000 0.788 232 G HN 0.094 nan 8.290 nan 0.000 0.490 233 P HA -0.070 nan 4.420 nan 0.000 0.219 233 P C 1.170 178.278 177.300 -0.321 0.000 1.146 233 P CA 1.174 64.126 63.100 -0.246 0.000 0.808 233 P CB 0.269 31.889 31.700 -0.133 0.000 0.779 234 K N -0.994 119.233 120.400 -0.288 0.000 2.334 234 K HA 0.059 4.245 4.320 -0.223 0.000 0.195 234 K C 0.473 176.827 176.600 -0.410 0.000 1.045 234 K CA 0.455 56.557 56.287 -0.308 0.000 1.004 234 K CB -0.229 32.167 32.500 -0.173 0.000 0.837 234 K HN 0.132 nan 8.250 nan 0.000 0.510 235 D N 1.838 122.000 120.400 -0.396 0.000 2.590 235 D HA 0.169 4.675 4.640 -0.223 0.000 0.280 235 D C -1.108 174.859 176.300 -0.556 0.000 1.197 235 D CA -0.215 53.585 54.000 -0.333 0.000 0.967 235 D CB 0.037 40.794 40.800 -0.072 0.000 0.987 235 D HN 0.101 nan 8.370 nan 0.000 0.508 236 S N 0.537 115.668 115.700 -0.948 0.000 2.683 236 S HA 0.266 4.602 4.470 -0.223 0.000 0.278 236 S C -0.190 173.889 174.600 -0.868 0.000 1.059 236 S CA -0.960 56.646 58.200 -0.990 0.000 0.847 236 S CB 0.155 62.157 63.200 -1.997 0.000 1.078 236 S HN 0.334 nan 8.310 nan 0.000 0.456 237 L N 0.240 121.169 121.223 -0.490 0.000 3.717 237 L HA -0.264 3.942 4.340 -0.223 0.000 0.414 237 L C 0.692 177.411 176.870 -0.252 0.000 1.228 237 L CA 0.586 55.272 54.840 -0.257 0.000 0.918 237 L CB -2.455 39.459 42.059 -0.242 0.000 1.865 237 L HN 0.853 nan 8.230 nan 0.000 0.922 238 Y N 0.252 120.413 120.300 -0.232 0.000 2.163 238 Y HA -0.132 4.284 4.550 -0.224 0.000 0.288 238 Y C 2.431 178.265 175.900 -0.110 0.000 1.136 238 Y CA 1.941 59.846 58.100 -0.326 0.000 1.147 238 Y CB -0.282 37.658 38.460 -0.867 0.000 0.987 238 Y HN 0.387 nan 8.280 nan 0.000 0.509 239 G N -0.665 108.254 108.800 0.197 0.000 2.404 239 G HA2 -0.250 3.576 3.960 -0.223 0.000 0.215 239 G HA3 -0.250 3.576 3.960 -0.223 0.000 0.215 239 G C 1.835 176.868 174.900 0.221 0.000 1.174 239 G CA 1.206 46.513 45.100 0.345 0.000 0.780 239 G HN 0.469 nan 8.290 nan 0.000 0.537 240 S N 0.637 116.443 115.700 0.178 0.000 2.383 240 S HA -0.029 4.308 4.470 -0.223 0.000 0.227 240 S C 2.234 176.786 174.600 -0.079 0.000 1.026 240 S CA 0.950 59.264 58.200 0.190 0.000 0.981 240 S CB -0.329 63.036 63.200 0.276 0.000 0.818 240 S HN 0.398 nan 8.310 nan 0.000 0.472 241 R N 0.319 120.729 120.500 -0.150 0.000 2.091 241 R HA -0.103 4.104 4.340 -0.223 0.000 0.238 241 R C 2.603 178.727 176.300 -0.293 0.000 1.136 241 R CA 1.632 57.578 56.100 -0.257 0.000 0.959 241 R CB -0.671 29.476 30.300 -0.256 0.000 0.856 241 R HN 0.610 nan 8.270 nan 0.000 0.437 242 H N 0.617 119.449 119.070 -0.397 0.000 2.326 242 H HA -0.108 4.314 4.556 -0.223 0.000 0.301 242 H C 2.027 177.155 175.328 -0.333 0.000 1.081 242 H CA 1.542 57.260 56.048 -0.549 0.000 1.334 242 H CB 0.104 29.080 29.762 -1.310 0.000 1.385 242 H HN 0.088 nan 8.280 nan 0.000 0.504 243 L N 1.122 122.285 121.223 -0.100 0.000 2.093 243 L HA -0.020 4.187 4.340 -0.223 0.000 0.208 243 L C 2.674 179.488 176.870 -0.094 0.000 1.085 243 L CA 1.844 56.705 54.840 0.034 0.000 0.755 243 L CB -1.034 41.200 42.059 0.292 0.000 0.904 243 L HN 0.294 nan 8.230 nan 0.000 0.435 244 A N -0.999 121.592 122.820 -0.382 0.000 1.902 244 A HA -0.261 3.925 4.320 -0.223 0.000 0.217 244 A C 2.259 179.614 177.584 -0.382 0.000 1.181 244 A CA 1.677 53.311 52.037 -0.671 0.000 0.623 244 A CB -0.682 17.567 19.000 -1.250 0.000 0.818 244 A HN 0.545 nan 8.150 nan 0.000 0.443 245 Q N -0.505 119.068 119.800 -0.378 0.000 2.084 245 Q HA -0.128 4.078 4.340 -0.223 0.000 0.202 245 Q C 1.830 177.670 176.000 -0.268 0.000 0.978 245 Q CA 1.757 57.372 55.803 -0.313 0.000 0.844 245 Q CB -0.575 27.955 28.738 -0.347 0.000 0.898 245 Q HN 0.501 nan 8.270 nan 0.000 0.426 246 L N -0.324 120.709 121.223 -0.317 0.000 2.017 246 L HA -0.095 4.111 4.340 -0.223 0.000 0.208 246 L C 2.158 178.982 176.870 -0.077 0.000 1.073 246 L CA 1.973 56.689 54.840 -0.207 0.000 0.745 246 L CB -0.548 41.401 42.059 -0.183 0.000 0.894 246 L HN 0.343 nan 8.230 nan 0.000 0.432 247 M N -0.869 118.710 119.600 -0.035 0.000 2.159 247 M HA -0.237 4.109 4.480 -0.223 0.000 0.263 247 M C 2.208 178.509 176.300 0.000 0.000 1.063 247 M CA 2.021 57.339 55.300 0.030 0.000 1.110 247 M CB -0.499 32.171 32.600 0.117 0.000 1.374 247 M HN 0.415 nan 8.290 nan 0.000 0.411 248 E N 0.356 120.524 120.200 -0.052 0.000 2.153 248 E HA -0.198 4.018 4.350 -0.223 0.000 0.194 248 E C 1.803 178.381 176.600 -0.037 0.000 0.988 248 E CA 1.660 58.029 56.400 -0.052 0.000 0.811 248 E CB 0.069 29.711 29.700 -0.097 0.000 0.746 248 E HN 0.506 nan 8.360 nan 0.000 0.466 249 S N -0.350 115.323 115.700 -0.046 0.000 2.562 249 S HA 0.087 4.423 4.470 -0.223 0.000 0.221 249 S C 0.771 175.370 174.600 -0.002 0.000 0.975 249 S CA -0.239 57.943 58.200 -0.031 0.000 0.918 249 S CB -0.116 63.054 63.200 -0.050 0.000 0.772 249 S HN 0.174 nan 8.310 nan 0.000 0.531 250 I N 3.383 123.962 120.570 0.017 0.000 2.339 250 I HA 0.404 4.440 4.170 -0.223 0.000 0.290 250 I C -2.485 173.671 176.117 0.064 0.000 0.994 250 I CA -2.923 58.402 61.300 0.043 0.000 1.191 250 I CB 1.810 39.844 38.000 0.058 0.000 1.343 250 I HN -0.009 nan 8.210 nan 0.000 0.458 251 P HA 0.103 nan 4.420 nan 0.000 0.269 251 P C -1.123 176.257 177.300 0.133 0.000 1.215 251 P CA 0.212 63.354 63.100 0.071 0.000 0.780 251 P CB 0.650 32.373 31.700 0.038 0.000 0.898 252 H N -0.482 118.596 119.070 0.013 0.000 3.012 252 H HA 0.524 4.946 4.556 -0.222 0.000 0.367 252 H C -1.252 174.079 175.328 0.006 0.000 1.211 252 H CA -0.542 55.514 56.048 0.014 0.000 1.139 252 H CB 1.767 31.544 29.762 0.025 0.000 1.838 252 H HN 0.193 nan 8.280 nan 0.000 0.550 253 S N 3.202 118.554 115.700 -0.581 0.000 2.456 253 S HA 0.296 4.632 4.470 -0.223 0.000 0.316 253 S C -1.817 172.615 174.600 -0.280 0.000 1.089 253 S CA -1.544 56.463 58.200 -0.321 0.000 1.101 253 S CB 0.989 64.031 63.200 -0.264 0.000 0.995 253 S HN 0.668 nan 8.310 nan 0.000 0.468 254 P HA 0.183 nan 4.420 nan 0.000 0.224 254 P C 1.169 178.478 177.300 0.014 0.000 1.157 254 P CA 1.010 64.093 63.100 -0.029 0.000 0.799 254 P CB -0.340 31.356 31.700 -0.006 0.000 0.809 255 G N 1.735 110.586 108.800 0.085 0.000 2.583 255 G HA2 -0.248 3.579 3.960 -0.223 0.000 0.292 255 G HA3 -0.248 3.579 3.960 -0.223 0.000 0.292 255 G C -1.532 173.401 174.900 0.056 0.000 1.203 255 G CA 0.706 45.873 45.100 0.111 0.000 0.987 255 G HN 0.234 nan 8.290 nan 0.000 0.554 256 P HA 0.182 nan 4.420 nan 0.000 0.245 256 P C 0.857 178.194 177.300 0.063 0.000 1.203 256 P CA 2.084 65.209 63.100 0.041 0.000 0.792 256 P CB 0.271 31.984 31.700 0.021 0.000 0.997 257 T N -4.028 110.569 114.554 0.071 0.000 2.888 257 T HA 0.412 4.629 4.350 -0.223 0.000 0.288 257 T C 1.129 175.887 174.700 0.097 0.000 1.063 257 T CA -0.839 61.309 62.100 0.080 0.000 1.010 257 T CB 1.824 70.714 68.868 0.037 0.000 1.214 257 T HN -0.256 nan 8.240 nan 0.000 0.533 258 R N -0.269 120.278 120.500 0.078 0.000 2.193 258 R HA 0.038 4.244 4.340 -0.223 0.000 0.229 258 R C 1.995 178.317 176.300 0.037 0.000 1.110 258 R CA 0.630 56.739 56.100 0.015 0.000 0.988 258 R CB -0.418 29.900 30.300 0.031 0.000 0.871 258 R HN 0.566 nan 8.270 nan 0.000 0.458 259 I N 0.995 121.601 120.570 0.058 0.000 2.286 259 I HA -0.242 3.794 4.170 -0.223 0.000 0.248 259 I C 1.647 177.791 176.117 0.045 0.000 1.115 259 I CA 1.590 62.939 61.300 0.082 0.000 1.392 259 I CB -0.643 37.383 38.000 0.043 0.000 1.065 259 I HN 0.138 nan 8.210 nan 0.000 0.418 260 Q N 0.475 120.289 119.800 0.023 0.000 2.436 260 Q HA 0.067 4.273 4.340 -0.223 0.000 0.209 260 Q C 2.131 178.109 176.000 -0.037 0.000 0.965 260 Q CA 1.034 56.843 55.803 0.009 0.000 0.910 260 Q CB -0.384 28.369 28.738 0.026 0.000 0.980 260 Q HN 0.490 nan 8.270 nan 0.000 0.491 261 A N 0.179 122.934 122.820 -0.108 0.000 2.168 261 A HA 0.030 4.216 4.320 -0.223 0.000 0.215 261 A C 0.661 177.904 177.584 -0.568 0.000 1.152 261 A CA 0.173 52.022 52.037 -0.314 0.000 0.716 261 A CB -0.256 18.438 19.000 -0.510 0.000 0.794 261 A HN 0.297 nan 8.150 nan 0.000 0.465 262 I N 0.523 120.923 120.570 -0.284 0.000 2.347 262 I HA 0.035 4.072 4.170 -0.223 0.000 0.294 262 I C 1.313 177.386 176.117 -0.073 0.000 1.090 262 I CA -0.024 61.178 61.300 -0.163 0.000 1.314 262 I CB 0.950 39.001 38.000 0.084 0.000 1.423 262 I HN 0.422 nan 8.210 nan 0.000 0.503 263 E N 5.742 125.895 120.200 -0.078 0.000 2.112 263 E HA -0.043 4.173 4.350 -0.223 0.000 0.190 263 E C -0.063 176.588 176.600 0.084 0.000 0.979 263 E CA 0.745 57.162 56.400 0.028 0.000 0.814 263 E CB 0.500 30.247 29.700 0.078 0.000 0.762 263 E HN 0.468 nan 8.360 nan 0.000 0.460 264 L N -0.113 121.134 121.223 0.041 0.000 2.513 264 L HA 0.370 4.576 4.340 -0.223 0.000 0.261 264 L C -1.969 174.914 176.870 0.022 0.000 0.945 264 L CA -0.638 54.224 54.840 0.037 0.000 0.848 264 L CB 1.813 43.823 42.059 -0.082 0.000 1.334 264 L HN -0.028 nan 8.230 nan 0.000 0.407 265 F N 6.137 126.028 119.950 -0.099 0.000 2.332 265 F HA 0.583 4.978 4.527 -0.220 0.000 0.368 265 F C -0.390 175.337 175.800 -0.121 0.000 1.110 265 F CA -0.473 57.438 58.000 -0.147 0.000 1.087 265 F CB 1.039 39.932 39.000 -0.178 0.000 1.235 265 F HN 0.572 nan 8.300 nan 0.000 0.470 266 M N 8.342 127.778 119.600 -0.273 0.000 2.066 266 M HA 0.376 4.722 4.480 -0.223 0.000 0.340 266 M C -1.931 174.203 176.300 -0.276 0.000 1.053 266 M CA -1.116 54.071 55.300 -0.188 0.000 0.983 266 M CB 0.890 33.338 32.600 -0.254 0.000 1.520 266 M HN 0.603 nan 8.290 nan 0.000 0.428 267 L N 6.550 127.732 121.223 -0.069 0.000 2.257 267 L HA 0.499 4.706 4.340 -0.223 0.000 0.290 267 L C -1.670 175.233 176.870 0.055 0.000 1.044 267 L CA -0.264 54.571 54.840 -0.008 0.000 0.810 267 L CB 1.027 43.211 42.059 0.209 0.000 1.193 267 L HN 0.645 nan 8.230 nan 0.000 0.425 268 L N 5.446 126.655 121.223 -0.025 0.000 2.289 268 L HA 0.612 4.818 4.340 -0.223 0.000 0.285 268 L C -0.338 176.568 176.870 0.059 0.000 1.049 268 L CA 0.149 54.976 54.840 -0.022 0.000 0.804 268 L CB 1.250 43.258 42.059 -0.084 0.000 1.195 268 L HN 0.597 nan 8.230 nan 0.000 0.428 269 D N 2.792 123.239 120.400 0.077 0.000 2.736 269 D HA 0.441 4.947 4.640 -0.223 0.000 0.223 269 D C -0.454 175.903 176.300 0.094 0.000 1.231 269 D CA -0.428 53.649 54.000 0.128 0.000 0.818 269 D CB 1.690 42.630 40.800 0.234 0.000 1.587 269 D HN 0.391 nan 8.370 nan 0.000 0.463 270 L N 1.669 122.954 121.223 0.105 0.000 3.550 270 L HA -0.224 3.983 4.340 -0.223 0.000 0.523 270 L C -0.849 176.082 176.870 0.102 0.000 1.312 270 L CA 0.422 55.320 54.840 0.096 0.000 0.864 270 L CB -1.632 40.441 42.059 0.022 0.000 1.592 270 L HN 0.311 nan 8.230 nan 0.000 0.859 271 L N -0.544 120.727 121.223 0.080 0.000 2.354 271 L HA 0.810 5.016 4.340 -0.223 0.000 0.269 271 L C 1.152 178.045 176.870 0.039 0.000 1.005 271 L CA 0.140 55.024 54.840 0.072 0.000 0.819 271 L CB 1.781 43.869 42.059 0.048 0.000 1.311 271 L HN 0.317 nan 8.230 nan 0.000 0.423 272 G N 1.144 109.965 108.800 0.034 0.000 2.255 272 G HA2 -0.141 3.685 3.960 -0.223 0.000 0.196 272 G HA3 -0.141 3.685 3.960 -0.223 0.000 0.196 272 G C 0.211 175.157 174.900 0.076 0.000 0.998 272 G CA -0.090 45.036 45.100 0.044 0.000 0.656 272 G HN 0.890 nan 8.290 nan 0.000 0.490 273 A N 1.424 124.276 122.820 0.054 0.000 2.313 273 A HA 0.751 4.937 4.320 -0.223 0.000 0.261 273 A C -1.461 176.140 177.584 0.028 0.000 1.090 273 A CA -0.640 51.430 52.037 0.055 0.000 0.807 273 A CB 0.292 19.314 19.000 0.036 0.000 1.055 273 A HN 0.242 nan 8.150 nan 0.000 0.492 274 P HA 0.122 nan 4.420 nan 0.000 0.272 274 P C -0.662 176.576 177.300 -0.103 0.000 1.223 274 P CA -0.030 62.998 63.100 -0.120 0.000 0.784 274 P CB 0.038 31.571 31.700 -0.279 0.000 0.923 275 N N -1.578 117.077 118.700 -0.074 0.000 2.727 275 N HA -0.125 4.482 4.740 -0.223 0.000 0.251 275 N C -2.054 173.364 175.510 -0.155 0.000 1.040 275 N CA -0.071 52.943 53.050 -0.060 0.000 0.712 275 N CB -1.541 36.897 38.487 -0.082 0.000 0.912 275 N HN 0.497 nan 8.380 nan 0.000 0.545 276 P HA 0.156 nan 4.420 nan 0.000 0.274 276 P C -0.304 176.607 177.300 -0.649 0.000 1.237 276 P CA 0.113 62.909 63.100 -0.507 0.000 0.793 276 P CB 0.950 32.209 31.700 -0.734 0.000 0.977 277 T N -1.298 112.817 114.554 -0.731 0.000 2.881 277 T HA 0.674 4.890 4.350 -0.223 0.000 0.290 277 T C -0.835 173.455 174.700 -0.683 0.000 1.000 277 T CA -0.553 61.134 62.100 -0.687 0.000 0.978 277 T CB 0.508 69.168 68.868 -0.345 0.000 0.997 277 T HN 0.107 nan 8.240 nan 0.000 0.443 278 F N 1.462 121.228 119.950 -0.307 0.000 2.532 278 F HA 0.737 5.123 4.527 -0.234 0.000 0.321 278 F C -0.581 175.147 175.800 -0.120 0.000 1.089 278 F CA -1.492 56.441 58.000 -0.113 0.000 0.926 278 F CB 1.439 40.341 39.000 -0.165 0.000 1.168 278 F HN 0.584 nan 8.300 nan 0.000 0.459 279 Y N -0.610 119.876 120.300 0.311 0.000 2.602 279 Y HA 0.474 4.891 4.550 -0.221 0.000 0.342 279 Y C 0.146 175.639 175.900 -0.679 0.000 1.029 279 Y CA -1.311 56.679 58.100 -0.182 0.000 1.080 279 Y CB 1.970 40.244 38.460 -0.311 0.000 1.284 279 Y HN 0.483 nan 8.280 nan 0.000 0.485 280 S N 1.254 116.263 115.700 -1.151 0.000 2.430 280 S HA 0.100 4.436 4.470 -0.223 0.000 0.282 280 S C 0.462 174.755 174.600 -0.511 0.000 1.186 280 S CA -0.331 57.340 58.200 -0.882 0.000 1.060 280 S CB -0.128 62.530 63.200 -0.904 0.000 0.966 280 S HN 0.722 nan 8.310 nan 0.000 0.501 281 H N 4.001 122.910 119.070 -0.269 0.000 2.535 281 H HA 0.151 4.573 4.556 -0.224 0.000 0.273 281 H C -0.682 174.089 175.328 -0.928 0.000 0.983 281 H CA 0.714 56.429 56.048 -0.555 0.000 1.238 281 H CB 0.267 29.652 29.762 -0.629 0.000 1.412 281 H HN 0.511 nan 8.280 nan 0.000 0.562 282 F N -0.236 119.789 119.950 0.125 0.000 2.612 282 F HA 0.283 4.675 4.527 -0.225 0.000 0.332 282 F C -1.835 174.008 175.800 0.072 0.000 1.167 282 F CA -2.678 55.392 58.000 0.116 0.000 0.970 282 F CB 1.843 40.939 39.000 0.161 0.000 1.234 282 F HN -0.230 nan 8.300 nan 0.000 0.453 283 P HA -0.187 nan 4.420 nan 0.000 0.216 283 P C 1.885 179.276 177.300 0.152 0.000 1.150 283 P CA 1.411 64.578 63.100 0.112 0.000 0.843 283 P CB 0.203 31.954 31.700 0.085 0.000 0.787 284 R N -0.031 120.592 120.500 0.205 0.000 2.117 284 R HA -0.123 4.083 4.340 -0.223 0.000 0.243 284 R C 1.249 177.674 176.300 0.208 0.000 1.143 284 R CA 2.119 58.329 56.100 0.183 0.000 0.968 284 R CB -0.653 29.753 30.300 0.177 0.000 0.863 284 R HN 0.259 nan 8.270 nan 0.000 0.444 285 T N -2.812 111.909 114.554 0.277 0.000 3.176 285 T HA 0.127 4.343 4.350 -0.223 0.000 0.263 285 T C 1.354 176.227 174.700 0.289 0.000 1.021 285 T CA 0.030 62.343 62.100 0.356 0.000 0.905 285 T CB 0.802 69.946 68.868 0.460 0.000 1.057 285 T HN 0.040 nan 8.240 nan 0.000 0.558 286 V N 2.979 122.984 119.914 0.152 0.000 2.568 286 V HA -0.214 3.773 4.120 -0.223 0.000 0.253 286 V C 2.862 178.950 176.094 -0.010 0.000 1.072 286 V CA 2.249 64.567 62.300 0.030 0.000 1.084 286 V CB -0.636 31.141 31.823 -0.077 0.000 0.676 286 V HN 0.726 nan 8.190 nan 0.000 0.469 287 R N -1.198 119.281 120.500 -0.036 0.000 2.105 287 R HA -0.215 3.991 4.340 -0.223 0.000 0.239 287 R C 2.013 178.213 176.300 -0.165 0.000 1.135 287 R CA 2.287 58.295 56.100 -0.153 0.000 0.967 287 R CB -0.953 29.092 30.300 -0.425 0.000 0.861 287 R HN 0.621 nan 8.270 nan 0.000 0.442 288 W N 0.114 121.576 121.300 0.270 0.000 2.476 288 W HA 0.051 4.577 4.660 -0.223 0.000 0.281 288 W C 2.042 178.717 176.519 0.261 0.000 1.230 288 W CA -0.270 57.292 57.345 0.361 0.000 1.287 288 W CB -0.307 29.419 29.460 0.442 0.000 1.108 288 W HN -0.004 nan 8.180 nan 0.000 0.567 289 F N 0.649 120.742 119.950 0.238 0.000 2.134 289 F HA -0.270 4.124 4.527 -0.222 0.000 0.299 289 F C 2.610 178.435 175.800 0.043 0.000 1.097 289 F CA 1.943 59.997 58.000 0.090 0.000 1.264 289 F CB -0.644 38.380 39.000 0.038 0.000 1.001 289 F HN -0.121 nan 8.300 nan 0.000 0.479 290 H N 0.186 119.388 119.070 0.219 0.000 2.387 290 H HA -0.057 4.365 4.556 -0.223 0.000 0.299 290 H C 2.436 177.750 175.328 -0.024 0.000 1.090 290 H CA 1.307 57.399 56.048 0.075 0.000 1.332 290 H CB -0.245 29.572 29.762 0.091 0.000 1.386 290 H HN 0.139 nan 8.280 nan 0.000 0.516 291 R N 0.682 121.288 120.500 0.177 0.000 2.073 291 R HA -0.062 4.145 4.340 -0.223 0.000 0.234 291 R C 2.775 179.112 176.300 0.062 0.000 1.134 291 R CA 0.528 56.735 56.100 0.179 0.000 0.952 291 R CB -1.044 29.487 30.300 0.385 0.000 0.850 291 R HN 0.325 nan 8.270 nan 0.000 0.433 292 L N 0.049 121.209 121.223 -0.105 0.000 2.042 292 L HA -0.166 4.040 4.340 -0.223 0.000 0.210 292 L C 2.780 179.189 176.870 -0.768 0.000 1.076 292 L CA 1.544 56.029 54.840 -0.593 0.000 0.749 292 L CB -0.402 40.904 42.059 -1.254 0.000 0.893 292 L HN 0.155 nan 8.230 nan 0.000 0.432 293 R N -0.481 119.616 120.500 -0.672 0.000 2.081 293 R HA -0.185 4.021 4.340 -0.223 0.000 0.235 293 R C 2.611 178.860 176.300 -0.085 0.000 1.131 293 R CA 1.664 57.592 56.100 -0.287 0.000 0.960 293 R CB -0.258 29.973 30.300 -0.116 0.000 0.856 293 R HN 0.205 nan 8.270 nan 0.000 0.436 294 S N -0.001 115.668 115.700 -0.052 0.000 2.368 294 S HA -0.099 4.238 4.470 -0.223 0.000 0.225 294 S C 1.879 176.484 174.600 0.009 0.000 1.030 294 S CA 1.319 59.519 58.200 0.001 0.000 0.999 294 S CB -0.179 63.030 63.200 0.016 0.000 0.844 294 S HN 0.379 nan 8.310 nan 0.000 0.459 295 I N 1.218 121.786 120.570 -0.003 0.000 2.252 295 I HA -0.129 3.907 4.170 -0.223 0.000 0.245 295 I C 2.636 178.777 176.117 0.039 0.000 1.102 295 I CA 1.511 62.828 61.300 0.029 0.000 1.385 295 I CB -0.409 37.623 38.000 0.053 0.000 1.064 295 I HN 0.471 nan 8.210 nan 0.000 0.414 296 E N 1.659 121.881 120.200 0.036 0.000 2.070 296 E HA -0.290 3.926 4.350 -0.223 0.000 0.197 296 E C 2.135 178.775 176.600 0.068 0.000 1.004 296 E CA 1.608 58.066 56.400 0.096 0.000 0.805 296 E CB 0.066 29.913 29.700 0.245 0.000 0.744 296 E HN 0.397 nan 8.360 nan 0.000 0.451 297 K N 0.088 120.531 120.400 0.072 0.000 2.057 297 K HA -0.179 4.007 4.320 -0.223 0.000 0.207 297 K C 2.473 179.135 176.600 0.104 0.000 1.049 297 K CA 1.376 57.711 56.287 0.079 0.000 0.931 297 K CB -0.202 32.327 32.500 0.049 0.000 0.714 297 K HN 0.066 nan 8.250 nan 0.000 0.440 298 R N 1.187 121.729 120.500 0.070 0.000 2.066 298 R HA -0.074 4.132 4.340 -0.223 0.000 0.232 298 R C 2.266 178.604 176.300 0.063 0.000 1.131 298 R CA 1.107 57.245 56.100 0.063 0.000 0.955 298 R CB -0.204 30.123 30.300 0.045 0.000 0.851 298 R HN 0.120 nan 8.270 nan 0.000 0.432 299 L N -0.107 121.149 121.223 0.054 0.000 2.083 299 L HA -0.222 3.985 4.340 -0.223 0.000 0.209 299 L C 2.793 179.676 176.870 0.021 0.000 1.083 299 L CA 1.323 56.182 54.840 0.031 0.000 0.752 299 L CB -0.814 41.261 42.059 0.026 0.000 0.899 299 L HN 0.440 nan 8.230 nan 0.000 0.433 300 H N 1.126 120.157 119.070 -0.066 0.000 2.290 300 H HA -0.169 4.252 4.556 -0.225 0.000 0.298 300 H C 2.356 177.697 175.328 0.021 0.000 1.087 300 H CA 1.851 57.883 56.048 -0.028 0.000 1.291 300 H CB 0.161 29.953 29.762 0.051 0.000 1.369 300 H HN 0.251 nan 8.280 nan 0.000 0.492 301 R N 0.050 120.631 120.500 0.134 0.000 2.115 301 R HA -0.038 4.168 4.340 -0.223 0.000 0.230 301 R C 2.418 178.715 176.300 -0.004 0.000 1.111 301 R CA 0.867 57.012 56.100 0.075 0.000 0.976 301 R CB -0.028 30.334 30.300 0.104 0.000 0.870 301 R HN 0.332 nan 8.270 nan 0.000 0.445 302 L N 0.708 121.929 121.223 -0.003 0.000 2.627 302 L HA 0.058 4.264 4.340 -0.223 0.000 0.233 302 L C -0.381 176.469 176.870 -0.033 0.000 1.144 302 L CA 0.181 55.015 54.840 -0.011 0.000 0.892 302 L CB -0.633 41.430 42.059 0.006 0.000 1.039 302 L HN 0.309 nan 8.230 nan 0.000 0.442 303 N N -0.481 118.173 118.700 -0.076 0.000 2.758 303 N HA -0.214 4.392 4.740 -0.223 0.000 0.248 303 N C 0.387 175.870 175.510 -0.045 0.000 1.076 303 N CA 0.182 53.183 53.050 -0.081 0.000 0.696 303 N CB -1.239 37.215 38.487 -0.056 0.000 0.979 303 N HN 0.312 nan 8.380 nan 0.000 0.550 304 L N -0.770 120.430 121.223 -0.038 0.000 2.766 304 L HA 0.339 4.545 4.340 -0.223 0.000 0.242 304 L C 0.053 176.925 176.870 0.004 0.000 1.136 304 L CA 0.132 54.967 54.840 -0.007 0.000 0.933 304 L CB 0.337 42.402 42.059 0.010 0.000 1.241 304 L HN 0.171 nan 8.230 nan 0.000 0.522 305 L N -0.003 121.208 121.223 -0.020 0.000 2.346 305 L HA 0.448 4.654 4.340 -0.223 0.000 0.274 305 L C -0.387 176.528 176.870 0.076 0.000 1.007 305 L CA -0.433 54.412 54.840 0.009 0.000 0.818 305 L CB 2.074 44.042 42.059 -0.153 0.000 1.284 305 L HN 0.059 nan 8.230 nan 0.000 0.424 306 Q N 0.534 120.415 119.800 0.134 0.000 2.215 306 Q HA 0.344 4.551 4.340 -0.223 0.000 0.256 306 Q C 0.100 176.235 176.000 0.226 0.000 0.972 306 Q CA -0.670 55.219 55.803 0.143 0.000 0.889 306 Q CB 1.829 30.633 28.738 0.110 0.000 1.281 306 Q HN 0.710 nan 8.270 nan 0.000 0.456 307 S N 1.234 117.050 115.700 0.193 0.000 3.549 307 S HA -0.188 4.148 4.470 -0.223 0.000 0.366 307 S C -0.277 174.471 174.600 0.247 0.000 1.012 307 S CA 0.933 59.265 58.200 0.221 0.000 1.141 307 S CB -1.334 62.060 63.200 0.325 0.000 0.910 307 S HN 0.647 nan 8.310 nan 0.000 0.471 308 H N 0.247 119.387 119.070 0.116 0.000 2.379 308 H HA 0.235 4.656 4.556 -0.226 0.000 0.229 308 H C -2.329 173.088 175.328 0.148 0.000 1.423 308 H CA -1.570 54.540 56.048 0.104 0.000 1.375 308 H CB 0.869 30.703 29.762 0.120 0.000 1.592 308 H HN 0.180 nan 8.280 nan 0.000 0.507 309 P HA 0.013 nan 4.420 nan 0.000 0.236 309 P C -0.108 177.256 177.300 0.106 0.000 1.177 309 P CA 0.434 63.590 63.100 0.094 0.000 0.773 309 P CB 0.868 32.587 31.700 0.031 0.000 0.878 310 Q N -0.455 119.269 119.800 -0.126 0.000 2.345 310 Q HA 0.166 4.372 4.340 -0.223 0.000 0.268 310 Q C 1.281 176.899 176.000 -0.637 0.000 1.054 310 Q CA -0.480 55.169 55.803 -0.257 0.000 0.835 310 Q CB 1.791 30.374 28.738 -0.258 0.000 1.339 310 Q HN 0.027 nan 8.270 nan 0.000 0.447 311 E N 0.140 119.895 120.200 -0.742 0.000 2.072 311 E HA -0.066 4.151 4.350 -0.223 0.000 0.191 311 E C -0.144 176.301 176.600 -0.258 0.000 0.985 311 E CA 0.839 56.688 56.400 -0.919 0.000 0.801 311 E CB 0.246 29.662 29.700 -0.472 0.000 0.750 311 E HN 0.217 nan 8.360 nan 0.000 0.452 312 V N 1.612 121.407 119.914 -0.198 0.000 2.384 312 V HA 0.222 4.208 4.120 -0.223 0.000 0.287 312 V C 0.375 176.347 176.094 -0.204 0.000 1.020 312 V CA -0.360 61.887 62.300 -0.089 0.000 0.850 312 V CB 1.400 33.215 31.823 -0.014 0.000 0.987 312 V HN 0.336 nan 8.190 nan 0.000 0.436 313 M N 2.444 121.879 119.600 -0.276 0.000 2.504 313 M HA 0.156 4.502 4.480 -0.223 0.000 0.222 313 M C 1.153 177.352 176.300 -0.167 0.000 1.566 313 M CA 0.661 55.747 55.300 -0.357 0.000 1.099 313 M CB 0.417 32.602 32.600 -0.691 0.000 1.428 313 M HN 0.651 nan 8.290 nan 0.000 0.556 314 Y N 0.031 120.295 120.300 -0.060 0.000 2.262 314 Y HA 0.191 4.609 4.550 -0.220 0.000 0.295 314 Y C 0.681 176.332 175.900 -0.416 0.000 1.121 314 Y CA -0.224 57.677 58.100 -0.332 0.000 1.144 314 Y CB -0.530 37.782 38.460 -0.246 0.000 1.043 314 Y HN -0.067 nan 8.280 nan 0.000 0.528 315 F N 2.509 122.584 119.950 0.207 0.000 2.368 315 F HA 0.317 4.708 4.527 -0.226 0.000 0.362 315 F C 0.261 176.135 175.800 0.123 0.000 1.137 315 F CA -0.854 57.227 58.000 0.134 0.000 1.161 315 F CB 0.319 39.231 39.000 -0.147 0.000 1.265 315 F HN -0.114 nan 8.300 nan 0.000 0.530 316 Q N 5.511 125.420 119.800 0.180 0.000 2.230 316 Q HA 0.376 4.582 4.340 -0.223 0.000 0.253 316 Q C -2.298 173.846 176.000 0.239 0.000 0.919 316 Q CA -2.022 53.795 55.803 0.024 0.000 0.908 316 Q CB 1.735 30.199 28.738 -0.456 0.000 1.245 316 Q HN 0.279 nan 8.270 nan 0.000 0.437 317 P HA 0.401 nan 4.420 nan 0.000 0.276 317 P C 0.007 177.453 177.300 0.244 0.000 1.261 317 P CA 0.187 63.453 63.100 0.276 0.000 0.800 317 P CB 0.972 32.803 31.700 0.218 0.000 1.066 318 G N 0.600 109.499 108.800 0.166 0.000 2.685 318 G HA2 -0.109 3.717 3.960 -0.223 0.000 0.387 318 G HA3 -0.109 3.717 3.960 -0.223 0.000 0.387 318 G C -0.594 174.328 174.900 0.037 0.000 1.324 318 G CA -0.302 44.863 45.100 0.108 0.000 0.878 318 G HN 0.861 nan 8.290 nan 0.000 0.527 319 E N 0.283 120.447 120.200 -0.060 0.000 2.502 319 E HA 0.360 4.577 4.350 -0.223 0.000 0.261 319 E C -2.278 174.091 176.600 -0.384 0.000 0.974 319 E CA -0.720 55.571 56.400 -0.182 0.000 0.936 319 E CB 0.078 29.673 29.700 -0.175 0.000 0.926 319 E HN 0.322 nan 8.360 nan 0.000 0.459 320 P HA -0.073 nan 4.420 nan 0.000 0.269 320 P C -0.212 176.659 177.300 -0.716 0.000 1.209 320 P CA -0.263 62.390 63.100 -0.745 0.000 0.776 320 P CB 0.330 31.687 31.700 -0.572 0.000 0.876 321 F N 2.102 121.429 119.950 -1.038 0.000 2.087 321 F HA -0.063 4.333 4.527 -0.218 0.000 0.299 321 F C 1.034 176.626 175.800 -0.346 0.000 1.100 321 F CA 2.597 60.256 58.000 -0.569 0.000 1.226 321 F CB -0.344 38.425 39.000 -0.385 0.000 0.983 321 F HN 0.445 nan 8.300 nan 0.000 0.479 322 G N -1.051 107.677 108.800 -0.119 0.000 2.519 322 G HA2 0.404 4.230 3.960 -0.223 0.000 0.292 322 G HA3 0.404 4.230 3.960 -0.223 0.000 0.292 322 G C -1.559 173.396 174.900 0.092 0.000 1.507 322 G CA -0.347 44.690 45.100 -0.104 0.000 0.806 322 G HN 0.420 nan 8.290 nan 0.000 0.523 323 S N -1.268 114.486 115.700 0.089 0.000 2.646 323 S HA 0.800 5.136 4.470 -0.223 0.000 0.276 323 S C -0.397 174.301 174.600 0.164 0.000 1.222 323 S CA -0.714 57.605 58.200 0.199 0.000 1.014 323 S CB 1.904 65.202 63.200 0.162 0.000 0.991 323 S HN 1.196 nan 8.310 nan 0.000 0.533 324 V N 1.763 121.809 119.914 0.220 0.000 2.569 324 V HA 0.343 4.329 4.120 -0.223 0.000 0.301 324 V C -0.298 176.025 176.094 0.382 0.000 1.044 324 V CA -0.794 61.655 62.300 0.249 0.000 0.874 324 V CB 1.414 33.385 31.823 0.247 0.000 1.002 324 V HN 0.995 nan 8.190 nan 0.000 0.424 325 E N 3.458 123.822 120.200 0.273 0.000 2.415 325 E HA 0.333 4.549 4.350 -0.223 0.000 0.263 325 E C -0.630 176.242 176.600 0.454 0.000 0.995 325 E CA 0.426 57.043 56.400 0.361 0.000 0.915 325 E CB 0.726 30.704 29.700 0.464 0.000 0.951 325 E HN 0.659 nan 8.360 nan 0.000 0.449 326 D N 0.431 121.086 120.400 0.426 0.000 2.792 326 D HA 0.047 4.553 4.640 -0.223 0.000 0.335 326 D C -0.356 176.122 176.300 0.297 0.000 1.353 326 D CA -0.568 53.716 54.000 0.473 0.000 0.839 326 D CB 0.860 41.997 40.800 0.561 0.000 1.396 326 D HN 0.157 nan 8.370 nan 0.000 0.479 327 D N -0.726 119.892 120.400 0.363 0.000 2.351 327 D HA -0.138 4.369 4.640 -0.223 0.000 0.216 327 D C 1.573 178.049 176.300 0.294 0.000 0.968 327 D CA 0.811 55.001 54.000 0.317 0.000 0.899 327 D CB -0.116 40.923 40.800 0.399 0.000 0.907 327 D HN 0.444 nan 8.370 nan 0.000 0.514 328 H N -0.123 118.993 119.070 0.078 0.000 2.495 328 H HA -0.019 4.404 4.556 -0.222 0.000 0.287 328 H C 2.023 177.267 175.328 -0.140 0.000 1.033 328 H CA 0.154 56.103 56.048 -0.164 0.000 1.307 328 H CB -0.281 29.370 29.762 -0.184 0.000 1.401 328 H HN 0.079 nan 8.280 nan 0.000 0.555 329 I N 2.002 122.179 120.570 -0.655 0.000 2.163 329 I HA -0.135 3.901 4.170 -0.223 0.000 0.243 329 I C -0.494 175.438 176.117 -0.308 0.000 1.085 329 I CA 0.868 61.868 61.300 -0.499 0.000 1.347 329 I CB -1.987 35.791 38.000 -0.370 0.000 1.044 329 I HN 0.249 nan 8.210 nan 0.000 0.408 330 P HA -0.109 nan 4.420 nan 0.000 0.221 330 P C 1.763 178.732 177.300 -0.552 0.000 1.150 330 P CA 1.371 64.216 63.100 -0.425 0.000 0.800 330 P CB -0.080 31.315 31.700 -0.508 0.000 0.787 331 F N -1.405 118.322 119.950 -0.371 0.000 2.149 331 F HA -0.002 4.392 4.527 -0.221 0.000 0.294 331 F C 2.210 177.814 175.800 -0.327 0.000 1.095 331 F CA 0.551 58.310 58.000 -0.402 0.000 1.276 331 F CB -1.395 37.150 39.000 -0.758 0.000 1.023 331 F HN -0.211 nan 8.300 nan 0.000 0.480 332 L N 0.430 121.544 121.223 -0.182 0.000 2.043 332 L HA -0.180 4.026 4.340 -0.223 0.000 0.212 332 L C 2.396 179.184 176.870 -0.137 0.000 1.075 332 L CA 1.744 56.473 54.840 -0.184 0.000 0.752 332 L CB -0.450 41.483 42.059 -0.209 0.000 0.891 332 L HN -0.075 nan 8.230 nan 0.000 0.432 333 R N -0.211 120.198 120.500 -0.151 0.000 2.237 333 R HA -0.015 4.191 4.340 -0.223 0.000 0.219 333 R C 1.892 178.126 176.300 -0.110 0.000 1.080 333 R CA 0.852 56.881 56.100 -0.119 0.000 0.995 333 R CB -0.538 29.679 30.300 -0.139 0.000 0.875 333 R HN 0.459 nan 8.270 nan 0.000 0.462 334 R N -0.668 119.756 120.500 -0.126 0.000 2.359 334 R HA 0.138 4.344 4.340 -0.223 0.000 0.231 334 R C 0.641 176.907 176.300 -0.058 0.000 0.913 334 R CA 0.532 56.573 56.100 -0.099 0.000 1.075 334 R CB 0.572 30.794 30.300 -0.131 0.000 1.087 334 R HN 0.305 nan 8.270 nan 0.000 0.515 335 G N 0.565 109.333 108.800 -0.053 0.000 2.157 335 G HA2 -0.238 3.588 3.960 -0.223 0.000 0.239 335 G HA3 -0.238 3.588 3.960 -0.223 0.000 0.239 335 G C 0.151 175.042 174.900 -0.015 0.000 0.982 335 G CA -0.164 44.919 45.100 -0.028 0.000 0.650 335 G HN 0.123 nan 8.290 nan 0.000 0.527 336 V N 2.257 122.159 119.914 -0.020 0.000 2.572 336 V HA 0.370 4.356 4.120 -0.223 0.000 0.291 336 V C -1.299 174.782 176.094 -0.022 0.000 1.039 336 V CA -0.988 61.315 62.300 0.005 0.000 1.055 336 V CB 1.047 32.890 31.823 0.034 0.000 0.969 336 V HN 0.200 nan 8.190 nan 0.000 0.482 337 P HA 0.268 nan 4.420 nan 0.000 0.271 337 P C -0.792 176.533 177.300 0.041 0.000 1.220 337 P CA 0.019 63.143 63.100 0.040 0.000 0.768 337 P CB 0.769 32.546 31.700 0.128 0.000 0.848 338 V N 4.661 124.542 119.914 -0.055 0.000 2.735 338 V HA 0.446 4.432 4.120 -0.223 0.000 0.310 338 V C -0.119 176.079 176.094 0.173 0.000 1.061 338 V CA -0.782 61.515 62.300 -0.006 0.000 0.913 338 V CB 2.141 33.798 31.823 -0.278 0.000 1.005 338 V HN 0.410 nan 8.190 nan 0.000 0.428 339 L N 3.756 125.134 121.223 0.260 0.000 2.325 339 L HA 0.575 4.781 4.340 -0.223 0.000 0.281 339 L C -0.475 176.589 176.870 0.323 0.000 1.004 339 L CA -0.381 54.675 54.840 0.360 0.000 0.823 339 L CB 1.235 43.464 42.059 0.283 0.000 1.236 339 L HN 0.800 nan 8.230 nan 0.000 0.415 340 H N 5.651 124.871 119.070 0.250 0.000 2.685 340 H HA 0.264 4.686 4.556 -0.223 0.000 0.286 340 H C -0.879 174.496 175.328 0.078 0.000 1.102 340 H CA -0.961 55.111 56.048 0.041 0.000 1.254 340 H CB 1.354 30.992 29.762 -0.207 0.000 1.397 340 H HN 0.501 nan 8.280 nan 0.000 0.473 341 L N 8.064 129.364 121.223 0.129 0.000 2.422 341 L HA 0.330 4.536 4.340 -0.223 0.000 0.256 341 L C -1.112 175.674 176.870 -0.140 0.000 1.202 341 L CA 0.074 54.854 54.840 -0.100 0.000 1.119 341 L CB -0.428 41.502 42.059 -0.215 0.000 1.383 341 L HN 0.594 nan 8.230 nan 0.000 0.411 342 I N 1.211 121.738 120.570 -0.073 0.000 2.582 342 I HA 0.367 4.404 4.170 -0.223 0.000 0.292 342 I C -0.265 176.040 176.117 0.313 0.000 1.066 342 I CA -0.412 60.882 61.300 -0.010 0.000 1.053 342 I CB 2.199 39.953 38.000 -0.409 0.000 1.241 342 I HN 0.345 nan 8.210 nan 0.000 0.421 343 S N 4.438 120.329 115.700 0.318 0.000 2.531 343 S HA 0.397 4.733 4.470 -0.223 0.000 0.279 343 S C -0.266 174.424 174.600 0.151 0.000 1.305 343 S CA -0.037 58.256 58.200 0.155 0.000 1.058 343 S CB 0.008 63.209 63.200 0.002 0.000 0.899 343 S HN 0.659 nan 8.310 nan 0.000 0.493 344 T N 4.063 118.661 114.554 0.074 0.000 2.965 344 T HA 0.554 4.770 4.350 -0.223 0.000 0.306 344 T C -3.130 171.370 174.700 -0.334 0.000 0.991 344 T CA -1.894 60.160 62.100 -0.078 0.000 1.001 344 T CB 1.445 70.404 68.868 0.152 0.000 0.984 344 T HN 0.304 nan 8.240 nan 0.000 0.446 345 P HA 0.301 nan 4.420 nan 0.000 0.271 345 P C -0.158 176.940 177.300 -0.337 0.000 1.233 345 P CA -0.576 61.999 63.100 -0.874 0.000 0.789 345 P CB 0.291 31.486 31.700 -0.842 0.000 0.951 346 F N 0.243 119.945 119.950 -0.414 0.000 2.485 346 F HA 0.211 4.604 4.527 -0.223 0.000 0.327 346 F C -1.355 174.337 175.800 -0.181 0.000 1.203 346 F CA -2.288 55.502 58.000 -0.351 0.000 1.295 346 F CB -1.986 36.617 39.000 -0.662 0.000 1.191 346 F HN 0.199 nan 8.300 nan 0.000 0.588 347 P HA 0.040 nan 4.420 nan 0.000 0.266 347 P C 0.118 177.520 177.300 0.170 0.000 1.193 347 P CA 0.419 63.596 63.100 0.128 0.000 0.770 347 P CB 0.438 32.239 31.700 0.168 0.000 0.836 348 A N 3.282 126.164 122.820 0.105 0.000 1.948 348 A HA -0.179 4.007 4.320 -0.223 0.000 0.220 348 A C 1.702 179.389 177.584 0.172 0.000 1.177 348 A CA 2.277 54.380 52.037 0.110 0.000 0.636 348 A CB -1.553 17.484 19.000 0.061 0.000 0.815 348 A HN 0.537 nan 8.150 nan 0.000 0.449 349 V N -4.924 115.099 119.914 0.182 0.000 3.573 349 V HA 0.065 4.051 4.120 -0.223 0.000 0.270 349 V C 0.806 177.076 176.094 0.292 0.000 1.221 349 V CA -0.229 62.186 62.300 0.192 0.000 1.163 349 V CB -1.605 30.304 31.823 0.144 0.000 0.847 349 V HN 0.537 nan 8.190 nan 0.000 0.468 350 W N 2.717 124.103 121.300 0.143 0.000 2.385 350 W HA 0.136 4.658 4.660 -0.229 0.000 0.336 350 W C 1.059 177.733 176.519 0.259 0.000 1.351 350 W CA 1.062 58.503 57.345 0.160 0.000 1.295 350 W CB -0.776 28.723 29.460 0.065 0.000 1.239 350 W HN 0.582 nan 8.180 nan 0.000 0.565 351 H N 2.335 121.160 119.070 -0.409 0.000 2.791 351 H HA -0.227 4.194 4.556 -0.225 0.000 0.302 351 H C 0.321 175.470 175.328 -0.298 0.000 1.198 351 H CA 0.798 56.500 56.048 -0.576 0.000 1.145 351 H CB -1.582 27.491 29.762 -1.148 0.000 1.385 351 H HN 0.474 nan 8.280 nan 0.000 0.409 352 T N -3.926 110.643 114.554 0.026 0.000 2.916 352 T HA 0.358 4.574 4.350 -0.223 0.000 0.292 352 T C -2.273 172.460 174.700 0.055 0.000 1.064 352 T CA -2.060 59.995 62.100 -0.074 0.000 1.011 352 T CB 2.814 71.695 68.868 0.021 0.000 1.152 352 T HN -0.289 nan 8.240 nan 0.000 0.510 353 P HA 0.144 nan 4.420 nan 0.000 0.228 353 P C 1.112 178.422 177.300 0.017 0.000 1.151 353 P CA 0.538 63.648 63.100 0.017 0.000 0.770 353 P CB -0.219 31.437 31.700 -0.074 0.000 0.786 354 A N -0.543 122.294 122.820 0.029 0.000 2.235 354 A HA -0.060 4.127 4.320 -0.223 0.000 0.208 354 A C 1.098 178.701 177.584 0.032 0.000 1.172 354 A CA 0.366 52.419 52.037 0.026 0.000 0.786 354 A CB -1.013 18.008 19.000 0.036 0.000 0.804 354 A HN 0.014 nan 8.150 nan 0.000 0.479 355 D N 1.770 122.192 120.400 0.037 0.000 2.551 355 D HA 0.202 4.709 4.640 -0.223 0.000 0.223 355 D C 0.398 176.622 176.300 -0.126 0.000 1.144 355 D CA 0.581 54.579 54.000 -0.002 0.000 1.025 355 D CB -0.243 40.596 40.800 0.065 0.000 1.085 355 D HN 0.423 nan 8.370 nan 0.000 0.506 356 T N -1.427 113.090 114.554 -0.061 0.000 2.888 356 T HA 0.309 4.525 4.350 -0.223 0.000 0.288 356 T C 1.136 175.822 174.700 -0.023 0.000 1.063 356 T CA -0.814 61.243 62.100 -0.071 0.000 1.010 356 T CB 1.599 70.440 68.868 -0.045 0.000 1.214 356 T HN 0.144 nan 8.240 nan 0.000 0.533 357 E N -0.344 119.845 120.200 -0.018 0.000 2.085 357 E HA -0.149 4.067 4.350 -0.223 0.000 0.194 357 E C 1.900 178.580 176.600 0.134 0.000 0.994 357 E CA 1.353 57.785 56.400 0.052 0.000 0.801 357 E CB -0.188 29.550 29.700 0.063 0.000 0.743 357 E HN 0.460 nan 8.360 nan 0.000 0.453 358 V N 1.505 121.474 119.914 0.092 0.000 2.759 358 V HA -0.162 3.824 4.120 -0.223 0.000 0.256 358 V C 1.207 177.360 176.094 0.099 0.000 1.080 358 V CA 1.692 64.050 62.300 0.096 0.000 1.101 358 V CB -0.372 31.487 31.823 0.059 0.000 0.698 358 V HN 0.323 nan 8.190 nan 0.000 0.477 359 N N -0.245 118.507 118.700 0.087 0.000 2.336 359 N HA 0.187 4.794 4.740 -0.223 0.000 0.189 359 N C 0.492 176.073 175.510 0.119 0.000 1.113 359 N CA 0.066 53.170 53.050 0.090 0.000 0.858 359 N CB 0.069 38.595 38.487 0.066 0.000 0.970 359 N HN 0.402 nan 8.380 nan 0.000 0.471 360 L N 0.363 121.675 121.223 0.149 0.000 2.473 360 L HA 0.045 4.251 4.340 -0.223 0.000 0.268 360 L C 0.891 177.911 176.870 0.250 0.000 1.215 360 L CA 0.162 55.119 54.840 0.195 0.000 0.823 360 L CB 0.373 42.582 42.059 0.250 0.000 1.099 360 L HN 0.179 nan 8.230 nan 0.000 0.483 361 H N 2.825 121.968 119.070 0.123 0.000 2.691 361 H HA 0.193 4.643 4.556 -0.176 0.000 0.281 361 H C -2.031 173.357 175.328 0.099 0.000 1.121 361 H CA -1.911 54.191 56.048 0.091 0.000 1.254 361 H CB 1.713 31.514 29.762 0.065 0.000 1.390 361 H HN 0.332 nan 8.280 nan 0.000 0.491 362 P HA -0.104 nan 4.420 nan 0.000 0.216 362 P C -1.619 175.563 177.300 -0.197 0.000 1.153 362 P CA 0.965 63.932 63.100 -0.222 0.000 0.858 362 P CB -0.532 30.868 31.700 -0.499 0.000 0.789 363 P HA -0.118 nan 4.420 nan 0.000 0.216 363 P C 1.483 178.834 177.300 0.084 0.000 1.150 363 P CA 1.862 64.914 63.100 -0.079 0.000 0.837 363 P CB -0.703 30.913 31.700 -0.139 0.000 0.786 364 T N -0.879 113.760 114.554 0.143 0.000 2.777 364 T HA -0.094 4.122 4.350 -0.223 0.000 0.266 364 T C 1.848 176.596 174.700 0.081 0.000 1.040 364 T CA 1.135 63.367 62.100 0.219 0.000 1.141 364 T CB -1.067 67.965 68.868 0.273 0.000 0.868 364 T HN -0.120 nan 8.240 nan 0.000 0.444 365 V N 1.679 121.600 119.914 0.012 0.000 2.282 365 V HA -0.239 3.747 4.120 -0.223 0.000 0.249 365 V C 2.487 178.536 176.094 -0.075 0.000 1.057 365 V CA 1.754 64.020 62.300 -0.057 0.000 1.032 365 V CB -0.675 31.103 31.823 -0.076 0.000 0.645 365 V HN 0.591 nan 8.190 nan 0.000 0.447 366 H N -0.101 119.064 119.070 0.157 0.000 2.428 366 H HA -0.036 4.552 4.556 0.054 0.000 0.296 366 H C 2.340 177.748 175.328 0.133 0.000 1.062 366 H CA 1.343 57.471 56.048 0.133 0.000 1.350 366 H CB -0.414 29.405 29.762 0.094 0.000 1.403 366 H HN 0.427 nan 8.280 nan 0.000 0.533 367 N N 1.039 119.882 118.700 0.238 0.000 2.061 367 N HA -0.122 4.484 4.740 -0.223 0.000 0.193 367 N C 2.260 177.913 175.510 0.238 0.000 1.030 367 N CA 0.703 53.904 53.050 0.251 0.000 0.856 367 N CB -0.624 38.082 38.487 0.366 0.000 1.023 367 N HN 0.290 nan 8.380 nan 0.000 0.424 368 L N -0.185 121.149 121.223 0.185 0.000 2.046 368 L HA -0.163 4.043 4.340 -0.223 0.000 0.208 368 L C 2.689 179.643 176.870 0.140 0.000 1.077 368 L CA 0.794 55.728 54.840 0.156 0.000 0.747 368 L CB -0.502 41.600 42.059 0.071 0.000 0.896 368 L HN 0.292 nan 8.230 nan 0.000 0.432 369 C N 0.416 119.800 119.300 0.140 0.000 2.425 369 C HA -0.146 4.180 4.460 -0.223 0.000 0.277 369 C C 3.049 178.126 174.990 0.145 0.000 1.280 369 C CA 0.887 59.991 59.018 0.143 0.000 1.744 369 C CB -0.759 27.097 27.740 0.195 0.000 1.989 369 C HN 0.414 nan 8.230 nan 0.000 0.491 370 R N 0.133 120.728 120.500 0.159 0.000 2.075 370 R HA -0.013 4.193 4.340 -0.223 0.000 0.232 370 R C 2.060 178.440 176.300 0.134 0.000 1.126 370 R CA 1.656 57.838 56.100 0.135 0.000 0.963 370 R CB -0.342 30.034 30.300 0.127 0.000 0.858 370 R HN 0.545 nan 8.270 nan 0.000 0.435 371 I N 0.937 121.601 120.570 0.157 0.000 2.127 371 I HA -0.327 3.709 4.170 -0.223 0.000 0.241 371 I C 2.205 178.412 176.117 0.150 0.000 1.075 371 I CA 1.488 62.883 61.300 0.158 0.000 1.334 371 I CB -0.264 37.869 38.000 0.222 0.000 1.040 371 I HN 0.148 nan 8.210 nan 0.000 0.405 372 L N 0.230 121.529 121.223 0.126 0.000 2.093 372 L HA -0.177 4.029 4.340 -0.223 0.000 0.208 372 L C 2.789 179.755 176.870 0.160 0.000 1.085 372 L CA 1.165 56.071 54.840 0.110 0.000 0.755 372 L CB -0.658 41.427 42.059 0.044 0.000 0.904 372 L HN 0.248 nan 8.230 nan 0.000 0.435 373 A N -0.399 122.502 122.820 0.134 0.000 1.898 373 A HA -0.131 4.055 4.320 -0.223 0.000 0.216 373 A C 2.317 179.976 177.584 0.125 0.000 1.181 373 A CA 1.622 53.732 52.037 0.122 0.000 0.620 373 A CB -0.721 18.343 19.000 0.106 0.000 0.819 373 A HN 0.184 nan 8.150 nan 0.000 0.442 374 V N -1.222 118.770 119.914 0.130 0.000 2.358 374 V HA -0.226 3.760 4.120 -0.223 0.000 0.246 374 V C 2.255 178.429 176.094 0.134 0.000 1.047 374 V CA 2.019 64.387 62.300 0.113 0.000 1.035 374 V CB -0.968 30.915 31.823 0.101 0.000 0.658 374 V HN 0.633 nan 8.190 nan 0.000 0.452 375 F N 0.413 120.389 119.950 0.044 0.000 2.095 375 F HA -0.240 4.153 4.527 -0.223 0.000 0.298 375 F C 2.115 177.956 175.800 0.068 0.000 1.104 375 F CA 2.031 60.065 58.000 0.057 0.000 1.232 375 F CB -0.268 38.741 39.000 0.015 0.000 0.987 375 F HN 0.128 nan 8.300 nan 0.000 0.475 376 L N 0.759 122.118 121.223 0.227 0.000 2.046 376 L HA -0.036 4.170 4.340 -0.223 0.000 0.208 376 L C 2.441 179.338 176.870 0.044 0.000 1.077 376 L CA 2.069 56.980 54.840 0.118 0.000 0.747 376 L CB -1.467 40.668 42.059 0.128 0.000 0.896 376 L HN 0.194 nan 8.230 nan 0.000 0.432 377 A N -1.046 121.804 122.820 0.049 0.000 1.930 377 A HA -0.190 3.996 4.320 -0.223 0.000 0.217 377 A C 2.168 179.753 177.584 0.002 0.000 1.175 377 A CA 1.663 53.719 52.037 0.032 0.000 0.627 377 A CB -0.508 18.517 19.000 0.041 0.000 0.815 377 A HN 0.600 nan 8.150 nan 0.000 0.443 378 E N -1.795 118.388 120.200 -0.029 0.000 2.072 378 E HA -0.165 4.051 4.350 -0.223 0.000 0.190 378 E C 1.850 178.399 176.600 -0.085 0.000 0.982 378 E CA 1.208 57.575 56.400 -0.055 0.000 0.803 378 E CB -0.283 29.379 29.700 -0.063 0.000 0.755 378 E HN 0.793 nan 8.360 nan 0.000 0.453 379 Y N 0.979 121.085 120.300 -0.324 0.000 2.181 379 Y HA -0.154 4.263 4.550 -0.222 0.000 0.288 379 Y C 1.788 177.578 175.900 -0.184 0.000 1.146 379 Y CA 1.288 59.170 58.100 -0.364 0.000 1.164 379 Y CB 0.185 38.268 38.460 -0.630 0.000 0.982 379 Y HN -0.054 nan 8.280 nan 0.000 0.515 380 L N -0.647 120.640 121.223 0.106 0.000 2.607 380 L HA 0.249 4.455 4.340 -0.223 0.000 0.228 380 L C 1.290 178.167 176.870 0.012 0.000 1.123 380 L CA 0.474 55.361 54.840 0.078 0.000 0.890 380 L CB -0.280 41.828 42.059 0.083 0.000 1.103 380 L HN 0.426 nan 8.230 nan 0.000 0.468 381 G N 1.158 109.953 108.800 -0.009 0.000 2.246 381 G HA2 -0.255 3.571 3.960 -0.223 0.000 0.273 381 G HA3 -0.255 3.571 3.960 -0.223 0.000 0.273 381 G C 0.093 174.994 174.900 0.000 0.000 1.055 381 G CA 0.094 45.187 45.100 -0.012 0.000 0.851 381 G HN 0.241 nan 8.290 nan 0.000 0.500 382 L N 0.000 121.229 121.223 0.009 0.000 2.949 382 L HA 0.000 4.206 4.340 -0.223 0.000 0.249 382 L CA 0.000 54.849 54.840 0.015 0.000 0.813 382 L CB 0.000 42.075 42.059 0.026 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502