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 1xhb_1_A DATA FIRST_RESID 95 DATA SEQUENCE NRSLPDVRLE GcKTKVYPDN LPTTSVVIVF HNEAWSTLLR TVHSVINRSP DATA SEQUENCE RHMIEEIVLV DDASERDFLK RPLESYVKKL KVPVHVIRME QRSGLIRARL DATA SEQUENCE KGAAVSRGQV ITFLDAHCEC TAGWLEPLLA RIKHDRRTVV CPIIDVISDD DATA SEQUENCE TFEYMAGSDM TYGGFNWKLN FRWYPVPQRE MDRRKGDRTL PVRTPTMAGG DATA SEQUENCE LFSIDRDYFQ EIGTYDAGMD IWGGENLEIS FRIWQcGGTL EIVTcSHVGH DATA SEQUENCE VFXXXXXXXX XXXXGQIINK NNRRLAEVWM DEFKNFFYII SPGVTKVDYG DATA SEQUENCE DISSRLGLRR KLQcKPFSWY LENIYPDSQI PRHYFSLGEI RNVETNQcLD DATA SEQUENCE NMARKENEKV GIFNcHGMGG NQVFSYTANK EIRTDDLcLD VSKLNGPVTM DATA SEQUENCE LKcHHLKGNQ LWEYDPVKLT LQHVNSNQcL DKATEEDSQV PSIRDcTGSR DATA SEQUENCE SQQWLLRNV 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 95 N HA 0.000 nan 4.740 nan 0.000 0.220 95 N C 0.000 175.476 175.510 -0.056 0.000 1.280 95 N CA 0.000 53.022 53.050 -0.047 0.000 0.885 95 N CB 0.000 38.449 38.487 -0.064 0.000 1.341 96 R N -0.128 120.348 120.500 -0.039 0.000 2.947 96 R HA 0.855 5.195 4.340 0.001 0.000 0.253 96 R C -1.107 175.165 176.300 -0.046 0.000 1.208 96 R CA -0.959 55.117 56.100 -0.039 0.000 1.012 96 R CB 1.258 31.541 30.300 -0.029 0.000 1.267 96 R HN 0.430 nan 8.270 nan 0.000 0.473 97 S N -0.995 114.674 115.700 -0.051 0.000 2.739 97 S HA 0.786 5.256 4.470 0.001 0.000 0.306 97 S C -0.898 173.636 174.600 -0.109 0.000 1.115 97 S CA -0.833 57.327 58.200 -0.067 0.000 0.985 97 S CB 0.884 64.055 63.200 -0.048 0.000 1.133 97 S HN 0.432 nan 8.310 nan 0.000 0.541 98 L N 0.790 121.930 121.223 -0.140 0.000 2.510 98 L HA 0.608 4.949 4.340 0.001 0.000 0.252 98 L C -2.364 174.417 176.870 -0.148 0.000 1.091 98 L CA -1.765 52.944 54.840 -0.217 0.000 0.888 98 L CB 1.490 43.286 42.059 -0.439 0.000 1.507 98 L HN 0.494 nan 8.230 nan 0.000 0.407 99 P HA 0.317 nan 4.420 nan 0.000 0.284 99 P C -1.708 175.541 177.300 -0.085 0.000 1.287 99 P CA -0.514 62.536 63.100 -0.083 0.000 0.824 99 P CB 0.583 32.250 31.700 -0.055 0.000 1.180 100 D N -0.309 120.063 120.400 -0.047 0.000 2.352 100 D HA 0.122 4.762 4.640 0.001 0.000 0.245 100 D C 0.985 177.253 176.300 -0.052 0.000 1.224 100 D CA -0.363 53.618 54.000 -0.032 0.000 0.879 100 D CB 0.292 41.091 40.800 -0.002 0.000 1.057 100 D HN 0.107 nan 8.370 nan 0.000 0.491 101 V N 1.591 121.443 119.914 -0.104 0.000 3.541 101 V HA 0.234 4.355 4.120 0.001 0.000 0.267 101 V C 0.915 176.859 176.094 -0.250 0.000 1.213 101 V CA -0.003 62.176 62.300 -0.202 0.000 1.149 101 V CB -0.812 30.817 31.823 -0.323 0.000 0.822 101 V HN 0.265 nan 8.190 nan 0.000 0.462 102 R N 0.670 121.126 120.500 -0.073 0.000 2.694 102 R HA 0.375 4.715 4.340 0.001 0.000 0.268 102 R C -0.245 176.108 176.300 0.088 0.000 1.061 102 R CA -0.547 55.616 56.100 0.104 0.000 1.133 102 R CB 0.254 30.658 30.300 0.172 0.000 1.020 102 R HN 0.280 nan 8.270 nan 0.000 0.475 103 L N 3.213 124.521 121.223 0.142 0.000 2.499 103 L HA -0.094 4.246 4.340 0.001 0.000 0.273 103 L C 1.272 178.185 176.870 0.071 0.000 1.195 103 L CA 0.686 55.585 54.840 0.099 0.000 0.882 103 L CB 0.379 42.505 42.059 0.111 0.000 1.133 103 L HN 0.627 nan 8.230 nan 0.000 0.483 104 E N 3.499 123.728 120.200 0.048 0.000 2.132 104 E HA -0.303 4.047 4.350 0.001 0.000 0.218 104 E C 1.758 178.379 176.600 0.035 0.000 1.058 104 E CA 1.921 58.342 56.400 0.036 0.000 0.882 104 E CB -0.591 29.124 29.700 0.025 0.000 0.774 104 E HN 0.989 nan 8.360 nan 0.000 0.467 105 G N 0.568 109.389 108.800 0.035 0.000 2.475 105 G HA2 -0.307 3.654 3.960 0.001 0.000 0.220 105 G HA3 -0.307 3.654 3.960 0.001 0.000 0.220 105 G C 1.929 176.847 174.900 0.030 0.000 1.125 105 G CA 1.179 46.295 45.100 0.026 0.000 0.755 105 G HN 0.335 nan 8.290 nan 0.000 0.565 106 c N 0.446 119.082 118.600 0.059 0.000 2.413 106 c HA -0.002 4.568 4.570 0.001 0.000 0.277 106 c C 2.769 176.899 174.090 0.067 0.000 1.265 106 c CA 0.996 57.375 56.329 0.084 0.000 1.752 106 c CB -0.658 41.932 42.510 0.133 0.000 1.998 106 c HN 0.495 nan 8.230 nan 0.000 0.489 107 K N -0.207 120.227 120.400 0.056 0.000 2.360 107 K HA -0.166 4.155 4.320 0.001 0.000 0.201 107 K C 2.025 178.635 176.600 0.015 0.000 1.046 107 K CA 1.608 57.922 56.287 0.044 0.000 0.940 107 K CB -0.275 32.247 32.500 0.037 0.000 0.748 107 K HN 0.530 nan 8.250 nan 0.000 0.465 108 T N 0.239 114.789 114.554 -0.008 0.000 3.033 108 T HA 0.030 4.380 4.350 0.001 0.000 0.248 108 T C 0.092 174.738 174.700 -0.091 0.000 1.040 108 T CA 0.008 62.086 62.100 -0.036 0.000 1.133 108 T CB 0.202 69.052 68.868 -0.031 0.000 0.895 108 T HN 0.036 nan 8.240 nan 0.000 0.465 109 K N 2.229 122.548 120.400 -0.134 0.000 2.578 109 K HA 0.068 4.388 4.320 0.001 0.000 0.279 109 K C -0.171 176.158 176.600 -0.450 0.000 0.983 109 K CA 0.086 56.192 56.287 -0.302 0.000 1.078 109 K CB 0.310 32.580 32.500 -0.383 0.000 0.852 109 K HN 0.299 nan 8.250 nan 0.000 0.490 110 V N 1.153 120.792 119.914 -0.458 0.000 2.495 110 V HA 0.421 4.541 4.120 0.001 0.000 0.298 110 V C -1.072 174.746 176.094 -0.461 0.000 1.031 110 V CA -1.010 61.073 62.300 -0.362 0.000 0.871 110 V CB 0.681 32.410 31.823 -0.156 0.000 0.988 110 V HN 0.472 nan 8.190 nan 0.000 0.432 111 Y N 4.920 125.218 120.300 -0.003 0.000 2.361 111 Y HA 0.697 5.248 4.550 0.001 0.000 0.332 111 Y C -1.463 174.436 175.900 -0.001 0.000 1.101 111 Y CA -2.405 55.690 58.100 -0.008 0.000 1.137 111 Y CB 0.802 39.251 38.460 -0.018 0.000 1.207 111 Y HN 0.609 nan 8.280 nan 0.000 0.463 112 P HA -0.033 nan 4.420 nan 0.000 0.269 112 P C -0.678 176.674 177.300 0.086 0.000 1.211 112 P CA -0.027 63.126 63.100 0.087 0.000 0.781 112 P CB 1.033 32.779 31.700 0.076 0.000 0.877 113 D N 1.077 121.514 120.400 0.062 0.000 2.344 113 D HA 0.050 4.690 4.640 0.001 0.000 0.244 113 D C 0.545 176.877 176.300 0.053 0.000 1.134 113 D CA 0.145 54.182 54.000 0.062 0.000 0.930 113 D CB 0.084 40.910 40.800 0.044 0.000 1.175 113 D HN 0.370 nan 8.370 nan 0.000 0.437 114 N N 0.530 119.267 118.700 0.062 0.000 2.780 114 N HA -0.143 4.597 4.740 0.001 0.000 0.247 114 N C -0.484 175.035 175.510 0.015 0.000 1.076 114 N CA 0.185 53.261 53.050 0.043 0.000 0.688 114 N CB -1.028 37.477 38.487 0.030 0.000 0.957 114 N HN 0.314 nan 8.380 nan 0.000 0.551 115 L N 0.548 121.769 121.223 -0.002 0.000 2.472 115 L HA 0.403 4.743 4.340 0.001 0.000 0.260 115 L C -0.795 176.037 176.870 -0.063 0.000 1.209 115 L CA -0.719 54.093 54.840 -0.045 0.000 0.817 115 L CB -0.920 41.083 42.059 -0.094 0.000 1.106 115 L HN 0.101 nan 8.230 nan 0.000 0.479 116 P HA 0.058 nan 4.420 nan 0.000 0.274 116 P C -0.375 176.860 177.300 -0.109 0.000 1.256 116 P CA -0.311 62.744 63.100 -0.075 0.000 0.795 116 P CB 0.644 32.302 31.700 -0.070 0.000 1.038 117 T N -0.558 113.940 114.554 -0.094 0.000 2.837 117 T HA 0.368 4.718 4.350 0.001 0.000 0.285 117 T C -0.364 174.266 174.700 -0.118 0.000 0.984 117 T CA -0.152 61.882 62.100 -0.110 0.000 1.049 117 T CB 0.074 68.898 68.868 -0.073 0.000 0.947 117 T HN 0.476 nan 8.240 nan 0.000 0.472 118 T N 2.577 117.046 114.554 -0.142 0.000 2.912 118 T HA 0.588 4.939 4.350 0.001 0.000 0.288 118 T C -0.758 173.865 174.700 -0.129 0.000 1.030 118 T CA -0.649 61.360 62.100 -0.152 0.000 1.020 118 T CB 1.040 69.794 68.868 -0.190 0.000 1.056 118 T HN 0.532 nan 8.240 nan 0.000 0.480 119 S N 3.096 118.708 115.700 -0.147 0.000 2.532 119 S HA 0.399 4.870 4.470 0.001 0.000 0.318 119 S C 0.171 174.665 174.600 -0.177 0.000 1.083 119 S CA -0.802 57.322 58.200 -0.127 0.000 1.131 119 S CB 0.507 63.643 63.200 -0.107 0.000 0.973 119 S HN 0.834 nan 8.310 nan 0.000 0.468 120 V N 2.438 122.279 119.914 -0.121 0.000 2.585 120 V HA 0.543 4.663 4.120 0.001 0.000 0.296 120 V C -0.136 175.873 176.094 -0.141 0.000 1.035 120 V CA -0.238 61.986 62.300 -0.128 0.000 1.084 120 V CB 0.652 32.465 31.823 -0.015 0.000 0.953 120 V HN 0.450 nan 8.190 nan 0.000 0.483 121 V N 6.744 126.535 119.914 -0.205 0.000 2.409 121 V HA 0.554 4.674 4.120 0.001 0.000 0.291 121 V C -0.043 176.061 176.094 0.016 0.000 1.020 121 V CA -0.289 61.952 62.300 -0.099 0.000 0.848 121 V CB 1.350 33.088 31.823 -0.143 0.000 0.990 121 V HN 0.865 nan 8.190 nan 0.000 0.430 122 I N 5.585 126.177 120.570 0.036 0.000 2.466 122 I HA 0.584 4.754 4.170 0.001 0.000 0.289 122 I C -0.390 175.770 176.117 0.073 0.000 1.026 122 I CA -0.976 60.357 61.300 0.055 0.000 1.078 122 I CB 2.171 40.194 38.000 0.038 0.000 1.249 122 I HN 0.478 nan 8.210 nan 0.000 0.429 123 V N 6.398 126.341 119.914 0.050 0.000 2.630 123 V HA 0.769 4.889 4.120 0.001 0.000 0.305 123 V C -1.067 175.072 176.094 0.074 0.000 1.046 123 V CA -0.252 62.033 62.300 -0.025 0.000 0.934 123 V CB 1.653 33.437 31.823 -0.065 0.000 1.003 123 V HN 0.652 nan 8.190 nan 0.000 0.451 124 F N 2.760 122.720 119.950 0.016 0.000 2.643 124 F HA 0.857 5.385 4.527 0.001 0.000 0.314 124 F C -1.056 174.818 175.800 0.123 0.000 1.096 124 F CA -1.076 56.955 58.000 0.051 0.000 0.953 124 F CB 1.584 40.596 39.000 0.020 0.000 1.345 124 F HN 0.844 nan 8.300 nan 0.000 0.468 125 H N 1.145 120.435 119.070 0.367 0.000 3.239 125 H HA 0.354 4.911 4.556 0.001 0.000 0.320 125 H C -0.622 174.855 175.328 0.248 0.000 1.074 125 H CA -0.884 55.308 56.048 0.241 0.000 1.553 125 H CB 0.460 30.291 29.762 0.114 0.000 1.752 125 H HN 0.811 nan 8.280 nan 0.000 0.513 126 N N 2.197 120.876 118.700 -0.036 0.000 2.708 126 N HA -0.261 4.479 4.740 0.001 0.000 0.251 126 N C -0.514 175.024 175.510 0.046 0.000 1.123 126 N CA 0.781 53.757 53.050 -0.125 0.000 0.739 126 N CB -0.378 37.899 38.487 -0.351 0.000 1.113 126 N HN 0.659 nan 8.380 nan 0.000 0.561 127 E N 1.104 121.368 120.200 0.106 0.000 2.414 127 E HA 0.400 4.750 4.350 0.001 0.000 0.263 127 E C 0.318 177.062 176.600 0.240 0.000 1.000 127 E CA 0.265 56.743 56.400 0.130 0.000 0.914 127 E CB 0.602 30.346 29.700 0.073 0.000 0.948 127 E HN 0.317 nan 8.360 nan 0.000 0.444 128 A N 5.668 128.616 122.820 0.213 0.000 2.520 128 A HA -0.104 4.216 4.320 0.001 0.000 0.235 128 A C 0.956 178.624 177.584 0.140 0.000 1.065 128 A CA 0.094 52.237 52.037 0.176 0.000 0.764 128 A CB -0.096 18.932 19.000 0.046 0.000 1.002 128 A HN 1.029 nan 8.150 nan 0.000 0.502 129 W N 2.372 123.485 121.300 -0.312 0.000 2.332 129 W HA -0.269 4.391 4.660 0.001 0.000 0.321 129 W C 2.186 178.587 176.519 -0.196 0.000 1.219 129 W CA 3.067 60.270 57.345 -0.237 0.000 1.277 129 W CB -0.835 28.260 29.460 -0.608 0.000 1.161 129 W HN 0.905 nan 8.180 nan 0.000 0.476 130 S N 0.298 115.993 115.700 -0.009 0.000 2.365 130 S HA -0.247 4.223 4.470 0.001 0.000 0.225 130 S C 1.745 176.259 174.600 -0.142 0.000 1.039 130 S CA 2.311 60.458 58.200 -0.088 0.000 1.033 130 S CB -1.292 61.860 63.200 -0.080 0.000 0.887 130 S HN 0.251 nan 8.310 nan 0.000 0.447 131 T N 2.952 117.453 114.554 -0.087 0.000 2.652 131 T HA -0.030 4.321 4.350 0.001 0.000 0.267 131 T C 1.733 176.383 174.700 -0.084 0.000 1.039 131 T CA 1.491 63.580 62.100 -0.018 0.000 1.153 131 T CB -0.721 68.201 68.868 0.090 0.000 0.863 131 T HN 0.322 nan 8.240 nan 0.000 0.428 132 L N 0.867 121.997 121.223 -0.155 0.000 2.012 132 L HA -0.034 4.307 4.340 0.001 0.000 0.210 132 L C 1.963 178.639 176.870 -0.324 0.000 1.073 132 L CA 1.755 56.444 54.840 -0.252 0.000 0.748 132 L CB -0.850 40.986 42.059 -0.372 0.000 0.891 132 L HN 0.164 nan 8.230 nan 0.000 0.431 133 L N -0.752 120.203 121.223 -0.447 0.000 2.291 133 L HA -0.022 4.319 4.340 0.001 0.000 0.214 133 L C 2.649 179.418 176.870 -0.168 0.000 1.120 133 L CA 1.114 55.688 54.840 -0.444 0.000 0.799 133 L CB -0.782 40.884 42.059 -0.655 0.000 0.925 133 L HN 0.231 nan 8.230 nan 0.000 0.446 134 R N -0.855 119.583 120.500 -0.103 0.000 2.115 134 R HA -0.114 4.227 4.340 0.001 0.000 0.230 134 R C 2.008 178.288 176.300 -0.034 0.000 1.111 134 R CA 1.699 57.793 56.100 -0.010 0.000 0.976 134 R CB -0.164 30.129 30.300 -0.012 0.000 0.870 134 R HN 0.356 nan 8.270 nan 0.000 0.445 135 T N 0.259 114.757 114.554 -0.093 0.000 2.701 135 T HA -0.089 4.262 4.350 0.001 0.000 0.263 135 T C 1.910 176.528 174.700 -0.136 0.000 1.040 135 T CA 1.294 63.324 62.100 -0.117 0.000 1.147 135 T CB -0.241 68.547 68.868 -0.134 0.000 0.865 135 T HN -0.013 nan 8.240 nan 0.000 0.426 136 V N 1.639 121.441 119.914 -0.186 0.000 2.287 136 V HA -0.239 3.881 4.120 0.001 0.000 0.248 136 V C 2.545 178.524 176.094 -0.192 0.000 1.053 136 V CA 1.748 63.915 62.300 -0.222 0.000 1.027 136 V CB -0.711 30.909 31.823 -0.339 0.000 0.646 136 V HN 0.574 nan 8.190 nan 0.000 0.447 137 H N 0.409 119.444 119.070 -0.058 0.000 2.389 137 H HA -0.091 4.465 4.556 0.001 0.000 0.299 137 H C 2.653 177.960 175.328 -0.034 0.000 1.081 137 H CA 1.877 57.908 56.048 -0.028 0.000 1.345 137 H CB -0.486 29.264 29.762 -0.021 0.000 1.393 137 H HN 0.636 nan 8.280 nan 0.000 0.520 138 S N 0.471 116.198 115.700 0.044 0.000 2.399 138 S HA -0.100 4.371 4.470 0.001 0.000 0.231 138 S C 2.356 176.927 174.600 -0.049 0.000 1.022 138 S CA 1.270 59.453 58.200 -0.028 0.000 0.983 138 S CB -0.887 62.254 63.200 -0.099 0.000 0.803 138 S HN 0.101 nan 8.310 nan 0.000 0.480 139 V N 3.273 123.151 119.914 -0.060 0.000 2.307 139 V HA -0.129 3.991 4.120 0.001 0.000 0.245 139 V C 2.564 178.736 176.094 0.130 0.000 1.045 139 V CA 1.878 64.190 62.300 0.020 0.000 1.024 139 V CB -0.922 30.902 31.823 0.001 0.000 0.651 139 V HN 0.782 nan 8.190 nan 0.000 0.449 140 I N -0.967 119.649 120.570 0.077 0.000 2.406 140 I HA -0.091 4.080 4.170 0.001 0.000 0.249 140 I C 2.137 178.317 176.117 0.104 0.000 1.122 140 I CA 1.757 63.109 61.300 0.086 0.000 1.431 140 I CB -0.587 37.452 38.000 0.064 0.000 1.087 140 I HN 0.202 nan 8.210 nan 0.000 0.424 141 N N 1.557 120.319 118.700 0.104 0.000 2.354 141 N HA -0.039 4.701 4.740 0.001 0.000 0.179 141 N C 1.454 177.028 175.510 0.106 0.000 1.021 141 N CA 0.803 53.907 53.050 0.090 0.000 0.887 141 N CB -0.204 38.325 38.487 0.069 0.000 0.974 141 N HN 0.490 nan 8.380 nan 0.000 0.437 142 R N 0.140 120.730 120.500 0.150 0.000 2.362 142 R HA 0.284 4.624 4.340 0.001 0.000 0.227 142 R C -0.051 176.470 176.300 0.368 0.000 0.905 142 R CA 0.022 56.258 56.100 0.226 0.000 1.067 142 R CB 0.389 30.795 30.300 0.177 0.000 1.078 142 R HN -0.033 nan 8.270 nan 0.000 0.516 143 S N 1.894 117.772 115.700 0.296 0.000 2.482 143 S HA 0.435 4.906 4.470 0.001 0.000 0.303 143 S C -2.628 172.008 174.600 0.060 0.000 1.091 143 S CA -1.296 57.013 58.200 0.180 0.000 1.057 143 S CB 2.507 65.845 63.200 0.231 0.000 1.031 143 S HN -0.110 nan 8.310 nan 0.000 0.485 144 P HA 0.226 nan 4.420 nan 0.000 0.264 144 P C 0.656 177.948 177.300 -0.014 0.000 1.229 144 P CA -0.247 62.862 63.100 0.014 0.000 0.780 144 P CB 0.500 32.180 31.700 -0.034 0.000 0.808 145 R N 4.367 124.912 120.500 0.075 0.000 2.153 145 R HA -0.241 4.099 4.340 0.001 0.000 0.252 145 R C 1.882 178.213 176.300 0.051 0.000 1.158 145 R CA 1.992 58.128 56.100 0.059 0.000 0.975 145 R CB -0.953 29.392 30.300 0.076 0.000 0.871 145 R HN 0.612 nan 8.270 nan 0.000 0.450 146 H N -1.343 117.716 119.070 -0.019 0.000 2.556 146 H HA 0.061 4.618 4.556 0.001 0.000 0.268 146 H C 1.038 176.342 175.328 -0.040 0.000 0.996 146 H CA 1.018 57.051 56.048 -0.024 0.000 1.157 146 H CB -0.157 29.593 29.762 -0.019 0.000 1.355 146 H HN 0.351 nan 8.280 nan 0.000 0.597 147 M N 0.382 119.725 119.600 -0.429 0.000 2.367 147 M HA 0.291 4.771 4.480 0.001 0.000 0.256 147 M C 0.179 176.346 176.300 -0.221 0.000 1.091 147 M CA 0.181 55.245 55.300 -0.393 0.000 1.049 147 M CB 1.181 33.497 32.600 -0.473 0.000 1.406 147 M HN 0.025 nan 8.290 nan 0.000 0.498 148 I N 0.762 121.246 120.570 -0.144 0.000 2.354 148 I HA 0.109 4.279 4.170 0.001 0.000 0.292 148 I C 1.055 177.135 176.117 -0.061 0.000 0.989 148 I CA -0.344 60.902 61.300 -0.091 0.000 1.188 148 I CB 1.720 39.693 38.000 -0.046 0.000 1.342 148 I HN 0.072 nan 8.210 nan 0.000 0.457 149 E N 4.840 125.003 120.200 -0.061 0.000 2.011 149 E HA -0.045 4.305 4.350 0.001 0.000 0.191 149 E C -0.097 176.486 176.600 -0.028 0.000 0.980 149 E CA 1.321 57.699 56.400 -0.037 0.000 0.814 149 E CB 0.353 30.031 29.700 -0.037 0.000 0.775 149 E HN 0.775 nan 8.360 nan 0.000 0.454 150 E N -1.232 118.944 120.200 -0.040 0.000 2.449 150 E HA 0.518 4.868 4.350 0.001 0.000 0.278 150 E C -0.845 175.707 176.600 -0.079 0.000 1.059 150 E CA -0.547 55.811 56.400 -0.069 0.000 0.854 150 E CB 1.146 30.824 29.700 -0.038 0.000 1.465 150 E HN -0.081 nan 8.360 nan 0.000 0.462 151 I N 0.975 121.468 120.570 -0.127 0.000 2.436 151 I HA 0.455 4.625 4.170 0.001 0.000 0.289 151 I C -1.059 175.010 176.117 -0.081 0.000 1.010 151 I CA -1.355 59.890 61.300 -0.092 0.000 1.098 151 I CB 1.905 39.851 38.000 -0.091 0.000 1.266 151 I HN 0.254 nan 8.210 nan 0.000 0.434 152 V N 7.267 127.169 119.914 -0.021 0.000 2.357 152 V HA 0.406 4.527 4.120 0.001 0.000 0.284 152 V C -0.045 176.074 176.094 0.042 0.000 1.018 152 V CA -0.525 61.797 62.300 0.038 0.000 0.841 152 V CB 1.600 33.456 31.823 0.054 0.000 0.991 152 V HN 0.472 nan 8.190 nan 0.000 0.437 153 L N 5.546 126.815 121.223 0.077 0.000 2.265 153 L HA 0.543 4.883 4.340 0.001 0.000 0.289 153 L C -0.461 176.452 176.870 0.073 0.000 1.033 153 L CA -0.642 54.283 54.840 0.141 0.000 0.814 153 L CB 1.681 43.880 42.059 0.233 0.000 1.203 153 L HN 0.358 nan 8.230 nan 0.000 0.423 154 V N 2.765 122.649 119.914 -0.050 0.000 2.318 154 V HA 0.099 4.219 4.120 0.001 0.000 0.271 154 V C 0.173 175.863 176.094 -0.673 0.000 1.030 154 V CA -0.566 61.600 62.300 -0.223 0.000 0.844 154 V CB 1.349 33.091 31.823 -0.134 0.000 1.015 154 V HN 0.710 nan 8.190 nan 0.000 0.460 155 D N 4.121 124.044 120.400 -0.795 0.000 2.339 155 D HA -0.007 4.634 4.640 0.001 0.000 0.256 155 D C -0.379 175.590 176.300 -0.552 0.000 1.214 155 D CA -0.278 52.999 54.000 -1.206 0.000 0.877 155 D CB 1.326 41.815 40.800 -0.518 0.000 1.111 155 D HN 0.505 nan 8.370 nan 0.000 0.478 156 D N 3.299 123.420 120.400 -0.465 0.000 2.713 156 D HA 0.255 4.895 4.640 0.001 0.000 0.229 156 D C 0.261 176.502 176.300 -0.098 0.000 1.136 156 D CA -0.167 53.695 54.000 -0.231 0.000 1.010 156 D CB -0.802 39.869 40.800 -0.215 0.000 1.084 156 D HN 0.557 nan 8.370 nan 0.000 0.495 157 A N 1.454 124.232 122.820 -0.070 0.000 2.519 157 A HA -0.188 4.133 4.320 0.001 0.000 0.297 157 A C 1.063 178.736 177.584 0.148 0.000 1.472 157 A CA 0.772 52.817 52.037 0.013 0.000 0.739 157 A CB -1.953 17.036 19.000 -0.018 0.000 1.096 157 A HN 0.367 nan 8.150 nan 0.000 0.414 158 S N -0.701 115.098 115.700 0.164 0.000 2.618 158 S HA 0.424 4.895 4.470 0.001 0.000 0.254 158 S C 1.333 175.994 174.600 0.101 0.000 1.284 158 S CA 0.403 58.717 58.200 0.188 0.000 0.975 158 S CB 0.471 63.767 63.200 0.160 0.000 1.022 158 S HN 0.688 nan 8.310 nan 0.000 0.571 159 E N -1.157 119.059 120.200 0.026 0.000 2.646 159 E HA 0.152 4.502 4.350 0.001 0.000 0.207 159 E C -0.364 176.218 176.600 -0.030 0.000 0.922 159 E CA -0.135 56.274 56.400 0.016 0.000 1.482 159 E CB 0.563 30.288 29.700 0.041 0.000 1.509 159 E HN 0.228 nan 8.360 nan 0.000 0.831 160 R N 2.156 122.593 120.500 -0.106 0.000 2.347 160 R HA 0.068 4.408 4.340 0.001 0.000 0.304 160 R C 0.585 176.735 176.300 -0.250 0.000 1.072 160 R CA 0.092 56.088 56.100 -0.174 0.000 0.980 160 R CB 0.441 30.565 30.300 -0.294 0.000 0.986 160 R HN 0.077 nan 8.270 nan 0.000 0.448 161 D N 3.377 123.735 120.400 -0.071 0.000 2.160 161 D HA -0.268 4.373 4.640 0.001 0.000 0.189 161 D C 1.633 177.916 176.300 -0.029 0.000 1.003 161 D CA 1.993 55.983 54.000 -0.015 0.000 0.846 161 D CB -0.160 40.674 40.800 0.056 0.000 0.949 161 D HN 0.615 nan 8.370 nan 0.000 0.446 162 F N 0.395 120.352 119.950 0.010 0.000 2.250 162 F HA -0.130 4.397 4.527 0.001 0.000 0.301 162 F C 1.894 177.797 175.800 0.172 0.000 1.077 162 F CA 0.560 58.563 58.000 0.005 0.000 1.348 162 F CB -0.502 38.450 39.000 -0.079 0.000 1.040 162 F HN -0.105 nan 8.300 nan 0.000 0.509 163 L N 0.669 121.588 121.223 -0.506 0.000 2.313 163 L HA 0.019 4.359 4.340 0.001 0.000 0.214 163 L C 2.005 178.891 176.870 0.025 0.000 1.119 163 L CA 0.974 55.669 54.840 -0.242 0.000 0.809 163 L CB -1.335 40.499 42.059 -0.374 0.000 0.933 163 L HN 0.264 nan 8.230 nan 0.000 0.449 164 K N -0.462 119.949 120.400 0.020 0.000 2.028 164 K HA -0.027 4.294 4.320 0.001 0.000 0.211 164 K C 2.015 178.678 176.600 0.105 0.000 1.034 164 K CA 0.526 56.853 56.287 0.067 0.000 0.999 164 K CB -0.100 32.422 32.500 0.037 0.000 1.060 164 K HN -0.017 nan 8.250 nan 0.000 0.451 165 R N 0.435 120.990 120.500 0.091 0.000 2.073 165 R HA 0.010 4.350 4.340 0.001 0.000 0.229 165 R C -0.700 175.687 176.300 0.145 0.000 1.120 165 R CA 1.153 57.313 56.100 0.101 0.000 0.967 165 R CB -1.923 28.420 30.300 0.071 0.000 0.862 165 R HN 0.263 nan 8.270 nan 0.000 0.436 166 P HA -0.145 nan 4.420 nan 0.000 0.216 166 P C 1.635 179.189 177.300 0.423 0.000 1.153 166 P CA 0.821 64.047 63.100 0.209 0.000 0.858 166 P CB -0.048 31.702 31.700 0.083 0.000 0.789 167 L N 0.346 121.852 121.223 0.472 0.000 1.970 167 L HA -0.204 4.136 4.340 0.001 0.000 0.212 167 L C 2.083 179.119 176.870 0.277 0.000 1.071 167 L CA 1.984 57.071 54.840 0.411 0.000 0.751 167 L CB -1.469 40.725 42.059 0.226 0.000 0.889 167 L HN -0.039 nan 8.230 nan 0.000 0.432 168 E N -0.769 119.555 120.200 0.206 0.000 2.049 168 E HA -0.236 4.115 4.350 0.001 0.000 0.198 168 E C 2.074 178.770 176.600 0.159 0.000 1.007 168 E CA 1.663 58.157 56.400 0.155 0.000 0.809 168 E CB -0.336 29.439 29.700 0.124 0.000 0.749 168 E HN 0.523 nan 8.360 nan 0.000 0.450 169 S N 0.662 116.468 115.700 0.178 0.000 2.377 169 S HA -0.260 4.210 4.470 0.001 0.000 0.224 169 S C 1.858 176.563 174.600 0.175 0.000 1.042 169 S CA 1.691 59.986 58.200 0.158 0.000 1.086 169 S CB -0.666 62.632 63.200 0.165 0.000 0.995 169 S HN 0.363 nan 8.310 nan 0.000 0.428 170 Y N 2.285 122.690 120.300 0.174 0.000 2.207 170 Y HA -0.186 4.365 4.550 0.001 0.000 0.287 170 Y C 2.212 178.161 175.900 0.083 0.000 1.156 170 Y CA 1.081 59.289 58.100 0.179 0.000 1.182 170 Y CB -0.552 38.122 38.460 0.357 0.000 0.979 170 Y HN 0.028 nan 8.280 nan 0.000 0.521 171 V N 0.756 120.783 119.914 0.189 0.000 2.237 171 V HA -0.314 3.807 4.120 0.001 0.000 0.245 171 V C 2.389 178.465 176.094 -0.029 0.000 1.046 171 V CA 2.229 64.568 62.300 0.065 0.000 1.007 171 V CB -0.595 31.273 31.823 0.075 0.000 0.638 171 V HN 0.279 nan 8.190 nan 0.000 0.445 172 K N 0.043 120.445 120.400 0.002 0.000 2.362 172 K HA -0.162 4.158 4.320 0.001 0.000 0.202 172 K C 0.847 177.421 176.600 -0.043 0.000 1.045 172 K CA 0.791 57.073 56.287 -0.008 0.000 0.936 172 K CB -0.134 32.379 32.500 0.023 0.000 0.747 172 K HN 0.152 nan 8.250 nan 0.000 0.467 173 K N 1.156 121.501 120.400 -0.091 0.000 2.319 173 K HA 0.153 4.473 4.320 0.001 0.000 0.237 173 K C -1.419 175.090 176.600 -0.152 0.000 1.113 173 K CA -0.292 55.925 56.287 -0.116 0.000 1.072 173 K CB -0.055 32.363 32.500 -0.135 0.000 1.734 173 K HN -0.059 nan 8.250 nan 0.000 0.429 174 L N -0.917 120.249 121.223 -0.095 0.000 2.992 174 L HA 0.395 4.736 4.340 0.001 0.000 0.252 174 L C 0.445 177.290 176.870 -0.042 0.000 0.983 174 L CA -1.233 53.564 54.840 -0.071 0.000 1.005 174 L CB 0.461 42.471 42.059 -0.082 0.000 1.506 174 L HN -0.052 nan 8.230 nan 0.000 0.414 175 K N 0.487 120.876 120.400 -0.019 0.000 1.988 175 K HA -0.100 4.220 4.320 0.001 0.000 0.231 175 K C 0.651 177.240 176.600 -0.018 0.000 1.044 175 K CA 2.232 58.514 56.287 -0.008 0.000 1.013 175 K CB -1.193 31.313 32.500 0.010 0.000 0.736 175 K HN 0.412 nan 8.250 nan 0.000 0.446 176 V N 3.722 123.621 119.914 -0.024 0.000 2.715 176 V HA 0.113 4.233 4.120 0.001 0.000 0.299 176 V C -2.074 173.970 176.094 -0.083 0.000 1.054 176 V CA -1.573 60.702 62.300 -0.042 0.000 1.077 176 V CB 0.661 32.461 31.823 -0.038 0.000 0.972 176 V HN 0.328 nan 8.190 nan 0.000 0.484 177 P HA 0.211 nan 4.420 nan 0.000 0.276 177 P C -0.944 176.131 177.300 -0.375 0.000 1.253 177 P CA 0.034 63.020 63.100 -0.190 0.000 0.766 177 P CB 1.045 32.674 31.700 -0.118 0.000 0.845 178 V N 5.533 125.222 119.914 -0.374 0.000 2.444 178 V HA 0.296 4.416 4.120 0.001 0.000 0.294 178 V C 0.262 176.141 176.094 -0.357 0.000 1.022 178 V CA -0.589 61.497 62.300 -0.357 0.000 0.850 178 V CB 1.224 32.951 31.823 -0.161 0.000 0.992 178 V HN 0.601 nan 8.190 nan 0.000 0.426 179 H N 3.084 122.161 119.070 0.012 0.000 2.533 179 H HA 0.655 5.211 4.556 0.001 0.000 0.343 179 H C -0.800 174.550 175.328 0.037 0.000 1.160 179 H CA -0.828 55.232 56.048 0.020 0.000 1.218 179 H CB 2.376 32.144 29.762 0.010 0.000 1.566 179 H HN 0.365 nan 8.280 nan 0.000 0.522 180 V N 4.124 124.143 119.914 0.175 0.000 2.289 180 V HA 0.114 4.235 4.120 0.001 0.000 0.272 180 V C 0.321 176.468 176.094 0.089 0.000 1.026 180 V CA -0.528 61.853 62.300 0.136 0.000 0.807 180 V CB 0.742 32.654 31.823 0.149 0.000 1.044 180 V HN 0.524 nan 8.190 nan 0.000 0.443 181 I N 4.414 125.015 120.570 0.052 0.000 2.581 181 I HA 0.434 4.605 4.170 0.001 0.000 0.288 181 I C 0.552 176.645 176.117 -0.041 0.000 1.047 181 I CA 0.063 61.366 61.300 0.005 0.000 1.374 181 I CB 1.320 39.317 38.000 -0.006 0.000 1.423 181 I HN 0.498 nan 8.210 nan 0.000 0.549 182 R N 5.083 125.559 120.500 -0.040 0.000 2.513 182 R HA 0.404 4.745 4.340 0.001 0.000 0.301 182 R C -0.881 175.378 176.300 -0.067 0.000 0.968 182 R CA -1.089 54.973 56.100 -0.064 0.000 0.872 182 R CB 1.935 32.220 30.300 -0.025 0.000 1.177 182 R HN 0.364 nan 8.270 nan 0.000 0.444 183 M N 2.603 122.144 119.600 -0.099 0.000 2.184 183 M HA 0.049 4.529 4.480 0.001 0.000 0.351 183 M C 1.166 177.429 176.300 -0.063 0.000 1.395 183 M CA 0.080 55.327 55.300 -0.089 0.000 1.117 183 M CB 0.824 33.349 32.600 -0.126 0.000 1.708 183 M HN 0.465 nan 8.290 nan 0.000 0.468 184 E N 1.999 122.171 120.200 -0.046 0.000 2.023 184 E HA -0.151 4.199 4.350 0.001 0.000 0.196 184 E C -0.278 176.307 176.600 -0.025 0.000 1.003 184 E CA 1.646 58.029 56.400 -0.029 0.000 0.809 184 E CB 0.197 29.884 29.700 -0.022 0.000 0.755 184 E HN 0.641 nan 8.360 nan 0.000 0.449 185 Q N -0.501 119.278 119.800 -0.035 0.000 2.290 185 Q HA 0.370 4.711 4.340 0.001 0.000 0.269 185 Q C -1.284 174.680 176.000 -0.060 0.000 1.016 185 Q CA -0.671 55.116 55.803 -0.026 0.000 0.754 185 Q CB 2.042 30.774 28.738 -0.009 0.000 1.247 185 Q HN -0.003 nan 8.270 nan 0.000 0.451 186 R N 0.933 121.391 120.500 -0.069 0.000 3.674 186 R HA -0.252 4.088 4.340 0.001 0.000 0.132 186 R C -0.192 175.964 176.300 -0.240 0.000 0.646 186 R CA 1.278 57.284 56.100 -0.156 0.000 0.807 186 R CB -0.201 30.041 30.300 -0.097 0.000 1.108 186 R HN 0.747 nan 8.270 nan 0.000 0.268 187 S N 1.359 116.872 115.700 -0.311 0.000 2.830 187 S HA 0.481 4.951 4.470 0.001 0.000 0.249 187 S C 0.071 174.417 174.600 -0.423 0.000 1.084 187 S CA 0.465 58.474 58.200 -0.318 0.000 0.852 187 S CB 0.679 63.751 63.200 -0.214 0.000 0.802 187 S HN 1.225 nan 8.310 nan 0.000 0.481 188 G N 0.798 109.340 108.800 -0.430 0.000 2.406 188 G HA2 0.003 3.963 3.960 0.001 0.000 0.680 188 G HA3 0.003 3.963 3.960 0.001 0.000 0.680 188 G C -0.118 174.606 174.900 -0.293 0.000 1.338 188 G CA -0.289 44.558 45.100 -0.421 0.000 0.941 188 G HN 0.265 nan 8.290 nan 0.000 0.633 189 L N 0.857 121.924 121.223 -0.259 0.000 2.017 189 L HA 0.143 4.484 4.340 0.001 0.000 0.208 189 L C 2.895 179.589 176.870 -0.294 0.000 1.073 189 L CA 2.428 57.129 54.840 -0.232 0.000 0.745 189 L CB -0.755 41.182 42.059 -0.204 0.000 0.894 189 L HN 0.691 nan 8.230 nan 0.000 0.432 190 I N -0.956 119.386 120.570 -0.380 0.000 2.118 190 I HA -0.366 3.804 4.170 0.001 0.000 0.241 190 I C 2.639 178.605 176.117 -0.251 0.000 1.070 190 I CA 1.355 62.362 61.300 -0.488 0.000 1.327 190 I CB -0.370 37.348 38.000 -0.470 0.000 1.034 190 I HN 0.190 nan 8.210 nan 0.000 0.405 191 R N 0.831 121.211 120.500 -0.200 0.000 2.091 191 R HA -0.147 4.193 4.340 0.001 0.000 0.238 191 R C 2.330 178.572 176.300 -0.097 0.000 1.136 191 R CA 1.814 57.836 56.100 -0.129 0.000 0.959 191 R CB -0.826 29.381 30.300 -0.154 0.000 0.856 191 R HN 0.465 nan 8.270 nan 0.000 0.437 192 A N 0.130 122.872 122.820 -0.131 0.000 1.930 192 A HA -0.116 4.205 4.320 0.001 0.000 0.217 192 A C 2.065 179.631 177.584 -0.029 0.000 1.175 192 A CA 1.306 53.283 52.037 -0.100 0.000 0.627 192 A CB -0.315 18.600 19.000 -0.142 0.000 0.815 192 A HN 0.215 nan 8.150 nan 0.000 0.443 193 R N -1.163 119.317 120.500 -0.034 0.000 2.075 193 R HA -0.058 4.282 4.340 0.001 0.000 0.232 193 R C 1.904 178.340 176.300 0.227 0.000 1.126 193 R CA 1.120 57.271 56.100 0.085 0.000 0.963 193 R CB -0.438 29.773 30.300 -0.149 0.000 0.858 193 R HN 0.376 nan 8.270 nan 0.000 0.435 194 L N 1.362 122.693 121.223 0.180 0.000 2.042 194 L HA -0.197 4.143 4.340 0.001 0.000 0.210 194 L C 2.275 179.242 176.870 0.161 0.000 1.076 194 L CA 1.795 56.778 54.840 0.237 0.000 0.749 194 L CB -0.734 41.410 42.059 0.142 0.000 0.893 194 L HN -0.010 nan 8.230 nan 0.000 0.432 195 K N -0.181 120.268 120.400 0.082 0.000 2.001 195 K HA -0.063 4.257 4.320 0.001 0.000 0.208 195 K C 1.970 178.606 176.600 0.061 0.000 1.048 195 K CA 1.697 58.013 56.287 0.048 0.000 0.932 195 K CB -1.086 31.413 32.500 -0.000 0.000 0.715 195 K HN 0.244 nan 8.250 nan 0.000 0.437 196 G N -0.586 108.257 108.800 0.072 0.000 2.509 196 G HA2 -0.110 3.851 3.960 0.001 0.000 0.218 196 G HA3 -0.110 3.851 3.960 0.001 0.000 0.218 196 G C 1.447 176.395 174.900 0.081 0.000 1.124 196 G CA 0.845 45.985 45.100 0.068 0.000 0.776 196 G HN 0.451 nan 8.290 nan 0.000 0.547 197 A N 0.920 123.827 122.820 0.146 0.000 1.903 197 A HA 0.526 4.846 4.320 0.001 0.000 0.213 197 A C 2.686 180.334 177.584 0.107 0.000 1.185 197 A CA 1.512 53.632 52.037 0.139 0.000 0.628 197 A CB -0.539 18.655 19.000 0.324 0.000 0.830 197 A HN 0.597 nan 8.150 nan 0.000 0.446 198 A N -0.504 122.385 122.820 0.115 0.000 2.121 198 A HA 0.103 4.423 4.320 0.001 0.000 0.218 198 A C 1.952 179.559 177.584 0.038 0.000 1.154 198 A CA 1.640 53.722 52.037 0.075 0.000 0.679 198 A CB -0.474 18.563 19.000 0.061 0.000 0.795 198 A HN 0.350 nan 8.150 nan 0.000 0.458 199 V N 0.603 120.536 119.914 0.032 0.000 2.878 199 V HA -0.038 4.083 4.120 0.001 0.000 0.250 199 V C 1.514 177.611 176.094 0.005 0.000 1.075 199 V CA 1.012 63.316 62.300 0.007 0.000 1.096 199 V CB -0.572 31.253 31.823 0.004 0.000 0.724 199 V HN 0.684 nan 8.190 nan 0.000 0.467 200 S N 1.931 117.637 115.700 0.011 0.000 2.584 200 S HA 0.206 4.676 4.470 0.001 0.000 0.270 200 S C 0.808 175.405 174.600 -0.006 0.000 1.346 200 S CA -0.222 57.978 58.200 -0.001 0.000 1.018 200 S CB 0.626 63.797 63.200 -0.048 0.000 0.899 200 S HN 0.668 nan 8.310 nan 0.000 0.542 201 R N 0.104 120.600 120.500 -0.008 0.000 2.531 201 R HA 0.330 4.670 4.340 0.001 0.000 0.316 201 R C 0.662 176.950 176.300 -0.021 0.000 0.955 201 R CA -0.260 55.835 56.100 -0.009 0.000 1.120 201 R CB -0.333 29.967 30.300 -0.000 0.000 1.361 201 R HN 0.623 nan 8.270 nan 0.000 0.534 202 G N 1.129 109.904 108.800 -0.041 0.000 2.569 202 G HA2 -0.006 3.954 3.960 0.001 0.000 0.249 202 G HA3 -0.006 3.954 3.960 0.001 0.000 0.249 202 G C 0.166 175.031 174.900 -0.059 0.000 1.216 202 G CA -0.386 44.679 45.100 -0.057 0.000 0.845 202 G HN 0.142 nan 8.290 nan 0.000 0.568 203 Q N -0.266 119.501 119.800 -0.055 0.000 2.167 203 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 203 Q C 1.016 176.981 176.000 -0.059 0.000 0.970 203 Q CA 1.130 56.907 55.803 -0.044 0.000 0.855 203 Q CB -0.087 28.627 28.738 -0.039 0.000 0.911 203 Q HN 0.626 nan 8.270 nan 0.000 0.438 204 V N 0.085 119.941 119.914 -0.097 0.000 2.487 204 V HA 0.517 4.638 4.120 0.001 0.000 0.298 204 V C -0.818 175.151 176.094 -0.209 0.000 1.028 204 V CA -0.987 61.235 62.300 -0.129 0.000 0.860 204 V CB 1.482 33.230 31.823 -0.125 0.000 0.991 204 V HN 0.154 nan 8.190 nan 0.000 0.427 205 I N 5.561 125.950 120.570 -0.301 0.000 2.342 205 I HA 0.428 4.599 4.170 0.001 0.000 0.291 205 I C 0.333 176.037 176.117 -0.689 0.000 1.010 205 I CA 0.093 61.079 61.300 -0.523 0.000 1.308 205 I CB 1.820 39.394 38.000 -0.710 0.000 1.400 205 I HN 0.643 nan 8.210 nan 0.000 0.488 206 T N 6.563 120.741 114.554 -0.626 0.000 2.770 206 T HA 0.499 4.850 4.350 0.001 0.000 0.283 206 T C -0.508 173.823 174.700 -0.615 0.000 0.988 206 T CA -0.317 61.481 62.100 -0.504 0.000 0.957 206 T CB 0.395 69.162 68.868 -0.168 0.000 0.930 206 T HN 0.107 nan 8.240 nan 0.000 0.443 207 F N 3.513 123.221 119.950 -0.403 0.000 2.415 207 F HA 0.657 5.184 4.527 0.001 0.000 0.348 207 F C 0.210 175.904 175.800 -0.177 0.000 1.119 207 F CA -0.880 56.919 58.000 -0.335 0.000 1.069 207 F CB 0.901 39.584 39.000 -0.529 0.000 1.124 207 F HN 0.190 nan 8.300 nan 0.000 0.472 208 L N 2.136 123.399 121.223 0.066 0.000 2.409 208 L HA 0.523 4.863 4.340 0.001 0.000 0.255 208 L C -1.032 175.826 176.870 -0.020 0.000 1.027 208 L CA -1.214 53.633 54.840 0.013 0.000 0.834 208 L CB 2.135 44.164 42.059 -0.051 0.000 1.426 208 L HN 0.399 nan 8.230 nan 0.000 0.411 209 D N -0.108 120.231 120.400 -0.102 0.000 2.387 209 D HA 0.364 5.005 4.640 0.001 0.000 0.255 209 D C 0.489 176.589 176.300 -0.333 0.000 1.081 209 D CA -0.341 53.497 54.000 -0.269 0.000 0.994 209 D CB 1.704 42.163 40.800 -0.569 0.000 1.127 209 D HN 0.612 nan 8.370 nan 0.000 0.513 210 A N 0.291 122.912 122.820 -0.330 0.000 2.239 210 A HA -0.085 4.236 4.320 0.001 0.000 0.209 210 A C 0.595 178.073 177.584 -0.176 0.000 1.171 210 A CA 0.633 52.576 52.037 -0.157 0.000 0.768 210 A CB -0.596 18.425 19.000 0.035 0.000 0.790 210 A HN 0.570 nan 8.150 nan 0.000 0.478 211 H N -2.440 116.568 119.070 -0.104 0.000 2.386 211 H HA 0.522 5.079 4.556 0.001 0.000 0.232 211 H C -0.918 174.278 175.328 -0.221 0.000 1.416 211 H CA -0.649 55.302 56.048 -0.162 0.000 1.285 211 H CB -0.987 28.633 29.762 -0.237 0.000 1.625 211 H HN 0.196 nan 8.280 nan 0.000 0.521 212 C N 0.561 119.787 119.300 -0.123 0.000 2.913 212 C HA 0.534 4.995 4.460 0.001 0.000 0.322 212 C C -0.348 174.614 174.990 -0.046 0.000 1.292 212 C CA -0.636 58.335 59.018 -0.077 0.000 1.649 212 C CB 2.585 30.266 27.740 -0.098 0.000 2.139 212 C HN 0.702 nan 8.230 nan 0.000 0.475 213 E N 0.317 120.509 120.200 -0.014 0.000 2.294 213 E HA 0.289 4.639 4.350 0.001 0.000 0.272 213 E C -1.399 175.148 176.600 -0.089 0.000 0.896 213 E CA -0.276 56.114 56.400 -0.017 0.000 0.802 213 E CB 1.468 31.241 29.700 0.120 0.000 1.267 213 E HN 0.652 nan 8.360 nan 0.000 0.406 214 C N 2.256 121.379 119.300 -0.295 0.000 2.605 214 C HA 0.332 4.792 4.460 0.001 0.000 0.404 214 C C 1.124 175.972 174.990 -0.237 0.000 1.284 214 C CA -0.238 58.463 59.018 -0.528 0.000 2.199 214 C CB 0.181 27.197 27.740 -1.207 0.000 2.647 214 C HN 0.640 nan 8.230 nan 0.000 0.604 215 T N 1.693 116.197 114.554 -0.083 0.000 2.881 215 T HA 0.538 4.888 4.350 0.001 0.000 0.278 215 T C 0.292 175.109 174.700 0.195 0.000 0.982 215 T CA -0.308 61.836 62.100 0.074 0.000 0.989 215 T CB 0.946 69.931 68.868 0.195 0.000 1.058 215 T HN 0.913 nan 8.240 nan 0.000 0.529 216 A N 0.334 123.242 122.820 0.147 0.000 2.454 216 A HA 0.532 4.852 4.320 0.001 0.000 0.260 216 A C 1.394 179.105 177.584 0.212 0.000 1.106 216 A CA 0.223 52.362 52.037 0.170 0.000 0.780 216 A CB -1.010 18.046 19.000 0.092 0.000 1.044 216 A HN 1.572 nan 8.150 nan 0.000 0.498 217 G N 1.463 110.393 108.800 0.216 0.000 2.147 217 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 217 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 217 G C 0.730 175.727 174.900 0.161 0.000 1.005 217 G CA 0.719 45.913 45.100 0.156 0.000 0.713 217 G HN 1.607 nan 8.290 nan 0.000 0.515 218 W N -0.737 120.588 121.300 0.042 0.000 2.443 218 W HA 0.221 4.882 4.660 0.001 0.000 0.296 218 W C 1.489 177.992 176.519 -0.026 0.000 1.202 218 W CA 1.128 58.492 57.345 0.031 0.000 1.312 218 W CB -1.058 28.431 29.460 0.049 0.000 1.120 218 W HN 0.274 nan 8.180 nan 0.000 0.536 219 L N 1.976 122.472 121.223 -1.213 0.000 2.049 219 L HA -0.065 4.275 4.340 0.001 0.000 0.203 219 L C 2.526 179.000 176.870 -0.659 0.000 1.074 219 L CA 2.386 56.471 54.840 -1.258 0.000 0.749 219 L CB -1.097 40.104 42.059 -1.431 0.000 0.907 219 L HN -0.174 nan 8.230 nan 0.000 0.439 220 E N 0.420 120.316 120.200 -0.506 0.000 2.065 220 E HA -0.224 4.126 4.350 0.001 0.000 0.201 220 E C -0.655 175.489 176.600 -0.760 0.000 1.016 220 E CA 2.215 58.319 56.400 -0.494 0.000 0.818 220 E CB -1.972 27.545 29.700 -0.305 0.000 0.749 220 E HN 0.473 nan 8.360 nan 0.000 0.453 221 P HA -0.140 nan 4.420 nan 0.000 0.218 221 P C 1.328 178.398 177.300 -0.383 0.000 1.149 221 P CA 1.185 63.843 63.100 -0.736 0.000 0.817 221 P CB 0.053 31.566 31.700 -0.312 0.000 0.785 222 L N -0.856 120.184 121.223 -0.306 0.000 2.005 222 L HA -0.137 4.204 4.340 0.001 0.000 0.207 222 L C 2.875 179.624 176.870 -0.203 0.000 1.072 222 L CA 1.400 56.121 54.840 -0.200 0.000 0.744 222 L CB -1.116 40.825 42.059 -0.196 0.000 0.895 222 L HN -0.113 nan 8.230 nan 0.000 0.433 223 L N -0.314 120.748 121.223 -0.269 0.000 2.046 223 L HA -0.180 4.161 4.340 0.001 0.000 0.208 223 L C 2.905 179.676 176.870 -0.166 0.000 1.077 223 L CA 1.108 55.819 54.840 -0.215 0.000 0.747 223 L CB -0.915 40.995 42.059 -0.248 0.000 0.896 223 L HN 0.249 nan 8.230 nan 0.000 0.432 224 A N 0.258 122.945 122.820 -0.222 0.000 1.940 224 A HA -0.259 4.061 4.320 0.001 0.000 0.219 224 A C 2.386 179.950 177.584 -0.033 0.000 1.176 224 A CA 1.926 53.886 52.037 -0.128 0.000 0.631 224 A CB -0.484 18.380 19.000 -0.227 0.000 0.814 224 A HN 0.279 nan 8.150 nan 0.000 0.446 225 R N -0.028 120.438 120.500 -0.058 0.000 2.062 225 R HA 0.018 4.359 4.340 0.001 0.000 0.231 225 R C 1.873 178.192 176.300 0.032 0.000 1.136 225 R CA 1.746 57.856 56.100 0.016 0.000 0.948 225 R CB -0.574 29.723 30.300 -0.006 0.000 0.845 225 R HN 0.554 nan 8.270 nan 0.000 0.430 226 I N 0.654 121.207 120.570 -0.029 0.000 2.423 226 I HA -0.285 3.885 4.170 0.001 0.000 0.254 226 I C 2.307 178.398 176.117 -0.043 0.000 1.151 226 I CA 1.341 62.612 61.300 -0.049 0.000 1.421 226 I CB -0.285 37.676 38.000 -0.066 0.000 1.079 226 I HN 0.252 nan 8.210 nan 0.000 0.431 227 K N 0.380 120.768 120.400 -0.019 0.000 2.217 227 K HA -0.235 4.085 4.320 0.001 0.000 0.202 227 K C 2.204 178.818 176.600 0.023 0.000 1.051 227 K CA 1.190 57.472 56.287 -0.007 0.000 0.952 227 K CB -0.062 32.438 32.500 0.000 0.000 0.736 227 K HN 0.335 nan 8.250 nan 0.000 0.453 228 H N -0.228 118.824 119.070 -0.029 0.000 2.436 228 H HA 0.033 4.590 4.556 0.001 0.000 0.294 228 H C -0.519 174.790 175.328 -0.031 0.000 1.048 228 H CA 1.360 57.398 56.048 -0.017 0.000 1.353 228 H CB 0.436 30.197 29.762 -0.002 0.000 1.414 228 H HN 0.075 nan 8.280 nan 0.000 0.536 229 D N -0.883 119.392 120.400 -0.207 0.000 2.452 229 D HA 0.042 4.683 4.640 0.001 0.000 0.226 229 D C 0.670 176.854 176.300 -0.192 0.000 1.366 229 D CA -0.417 53.423 54.000 -0.266 0.000 0.986 229 D CB 0.818 41.449 40.800 -0.281 0.000 1.420 229 D HN 0.515 nan 8.370 nan 0.000 0.583 230 R N 2.592 122.977 120.500 -0.191 0.000 2.159 230 R HA -0.055 4.285 4.340 0.001 0.000 0.237 230 R C 0.867 176.927 176.300 -0.401 0.000 1.131 230 R CA 0.864 56.845 56.100 -0.198 0.000 0.982 230 R CB -0.153 30.070 30.300 -0.128 0.000 0.868 230 R HN 0.134 nan 8.270 nan 0.000 0.453 231 R N 1.345 121.516 120.500 -0.548 0.000 2.423 231 R HA 0.133 4.473 4.340 0.001 0.000 0.248 231 R C -0.448 175.449 176.300 -0.672 0.000 1.019 231 R CA 0.133 55.594 56.100 -1.065 0.000 1.119 231 R CB 0.578 30.437 30.300 -0.735 0.000 1.176 231 R HN 0.110 nan 8.270 nan 0.000 0.526 232 T N 0.763 115.084 114.554 -0.390 0.000 2.771 232 T HA 0.336 4.686 4.350 0.001 0.000 0.281 232 T C -0.145 174.476 174.700 -0.132 0.000 0.982 232 T CA -0.483 61.485 62.100 -0.219 0.000 0.978 232 T CB 2.389 71.193 68.868 -0.107 0.000 0.930 232 T HN -0.189 nan 8.240 nan 0.000 0.447 233 V N 4.290 124.140 119.914 -0.106 0.000 2.427 233 V HA 0.635 4.756 4.120 0.001 0.000 0.286 233 V C 0.129 176.234 176.094 0.018 0.000 1.034 233 V CA -0.800 61.504 62.300 0.006 0.000 0.893 233 V CB 1.403 33.210 31.823 -0.026 0.000 0.982 233 V HN 0.802 nan 8.190 nan 0.000 0.452 234 V N 1.661 121.636 119.914 0.101 0.000 2.604 234 V HA 0.758 4.878 4.120 0.001 0.000 0.305 234 V C -0.451 175.746 176.094 0.173 0.000 1.043 234 V CA -0.599 61.761 62.300 0.099 0.000 0.888 234 V CB 1.409 33.262 31.823 0.050 0.000 0.995 234 V HN 0.868 nan 8.190 nan 0.000 0.429 235 C N 6.162 125.556 119.300 0.156 0.000 2.417 235 C HA 0.794 5.255 4.460 0.001 0.000 0.324 235 C C -2.227 172.856 174.990 0.155 0.000 1.240 235 C CA -0.826 58.307 59.018 0.192 0.000 1.632 235 C CB 1.816 29.672 27.740 0.193 0.000 2.241 235 C HN 0.884 nan 8.230 nan 0.000 0.499 236 P HA 0.411 nan 4.420 nan 0.000 0.280 236 P C -0.916 176.431 177.300 0.079 0.000 1.272 236 P CA -0.353 62.821 63.100 0.124 0.000 0.819 236 P CB 0.951 32.773 31.700 0.203 0.000 1.122 237 I N 1.187 121.718 120.570 -0.065 0.000 2.496 237 I HA 0.121 4.291 4.170 0.001 0.000 0.285 237 I C 0.841 176.979 176.117 0.036 0.000 1.080 237 I CA -0.314 60.928 61.300 -0.096 0.000 1.404 237 I CB 0.121 37.873 38.000 -0.414 0.000 1.403 237 I HN 0.115 nan 8.210 nan 0.000 0.539 238 I N 6.488 127.104 120.570 0.077 0.000 2.308 238 I HA 0.082 4.253 4.170 0.001 0.000 0.293 238 I C -0.031 176.148 176.117 0.103 0.000 1.078 238 I CA -0.315 61.064 61.300 0.132 0.000 1.292 238 I CB 0.085 38.209 38.000 0.207 0.000 1.423 238 I HN 0.487 nan 8.210 nan 0.000 0.493 239 D N 5.645 126.127 120.400 0.136 0.000 2.383 239 D HA 0.333 4.973 4.640 0.001 0.000 0.248 239 D C -0.185 176.099 176.300 -0.027 0.000 1.170 239 D CA -0.234 53.770 54.000 0.008 0.000 0.977 239 D CB 1.890 42.664 40.800 -0.043 0.000 1.120 239 D HN 0.054 nan 8.370 nan 0.000 0.481 240 V N 1.520 121.331 119.914 -0.171 0.000 2.398 240 V HA 0.383 4.503 4.120 0.001 0.000 0.286 240 V C 0.225 176.188 176.094 -0.218 0.000 1.026 240 V CA -0.650 61.643 62.300 -0.011 0.000 0.868 240 V CB 1.294 33.107 31.823 -0.017 0.000 0.982 240 V HN 0.314 nan 8.190 nan 0.000 0.443 241 I N 3.426 123.947 120.570 -0.082 0.000 2.378 241 I HA 0.368 4.539 4.170 0.001 0.000 0.291 241 I C 0.446 176.474 176.117 -0.147 0.000 0.992 241 I CA -0.229 60.995 61.300 -0.127 0.000 1.154 241 I CB 2.098 40.040 38.000 -0.097 0.000 1.315 241 I HN 0.592 nan 8.210 nan 0.000 0.448 242 S N 3.452 119.063 115.700 -0.148 0.000 2.572 242 S HA 0.007 4.478 4.470 0.001 0.000 0.279 242 S C 0.591 174.888 174.600 -0.505 0.000 1.341 242 S CA -0.508 57.582 58.200 -0.184 0.000 1.043 242 S CB 1.312 64.471 63.200 -0.070 0.000 0.887 242 S HN 0.632 nan 8.310 nan 0.000 0.516 243 D N 0.617 120.785 120.400 -0.386 0.000 2.333 243 D HA -0.003 4.637 4.640 0.001 0.000 0.208 243 D C 1.057 177.206 176.300 -0.252 0.000 0.984 243 D CA 0.676 54.363 54.000 -0.522 0.000 0.873 243 D CB 0.073 40.732 40.800 -0.235 0.000 0.935 243 D HN 0.750 nan 8.370 nan 0.000 0.521 244 D N -1.894 118.456 120.400 -0.084 0.000 2.468 244 D HA -0.067 4.574 4.640 0.001 0.000 0.243 244 D C 1.835 178.259 176.300 0.207 0.000 0.994 244 D CA 1.380 55.429 54.000 0.082 0.000 0.932 244 D CB -0.609 40.217 40.800 0.042 0.000 1.078 244 D HN 0.109 nan 8.370 nan 0.000 0.473 245 T N -4.029 110.620 114.554 0.159 0.000 3.037 245 T HA 0.136 4.487 4.350 0.001 0.000 0.252 245 T C 0.539 175.456 174.700 0.361 0.000 1.073 245 T CA -0.230 61.997 62.100 0.211 0.000 1.091 245 T CB -0.534 68.403 68.868 0.115 0.000 0.935 245 T HN 0.144 nan 8.240 nan 0.000 0.488 246 F N 1.800 121.769 119.950 0.031 0.000 2.953 246 F HA -0.182 4.345 4.527 0.001 0.000 0.292 246 F C 0.479 176.322 175.800 0.072 0.000 0.747 246 F CA 0.599 58.624 58.000 0.042 0.000 1.222 246 F CB -2.139 36.880 39.000 0.032 0.000 1.457 246 F HN 0.605 nan 8.300 nan 0.000 0.383 247 E N -0.362 119.945 120.200 0.179 0.000 2.374 247 E HA 0.300 4.650 4.350 0.001 0.000 0.260 247 E C -0.474 176.225 176.600 0.165 0.000 1.101 247 E CA -0.629 55.870 56.400 0.165 0.000 0.907 247 E CB 0.874 30.642 29.700 0.112 0.000 1.014 247 E HN 0.340 nan 8.360 nan 0.000 0.427 248 Y N 1.519 121.849 120.300 0.051 0.000 2.310 248 Y HA 0.372 4.922 4.550 0.001 0.000 0.326 248 Y C -0.217 175.699 175.900 0.028 0.000 1.151 248 Y CA -0.500 57.626 58.100 0.042 0.000 1.195 248 Y CB 1.470 39.952 38.460 0.036 0.000 1.210 248 Y HN 0.508 nan 8.280 nan 0.000 0.483 249 M N 4.801 124.306 119.600 -0.158 0.000 2.149 249 M HA 0.502 4.982 4.480 0.001 0.000 0.273 249 M C -1.062 175.158 176.300 -0.133 0.000 0.972 249 M CA -0.539 54.721 55.300 -0.065 0.000 0.984 249 M CB 1.291 33.845 32.600 -0.076 0.000 1.699 249 M HN 0.755 nan 8.290 nan 0.000 0.462 250 A N 2.698 125.532 122.820 0.022 0.000 2.407 250 A HA 0.711 5.032 4.320 0.001 0.000 0.248 250 A C 0.435 178.033 177.584 0.024 0.000 1.082 250 A CA -0.067 51.998 52.037 0.046 0.000 0.785 250 A CB 0.257 19.270 19.000 0.020 0.000 1.020 250 A HN 0.891 nan 8.150 nan 0.000 0.489 251 G N 0.002 108.858 108.800 0.093 0.000 2.451 251 G HA2 0.470 4.430 3.960 0.001 0.000 0.303 251 G HA3 0.470 4.430 3.960 0.001 0.000 0.303 251 G C 0.123 175.084 174.900 0.102 0.000 1.166 251 G CA 0.137 45.246 45.100 0.015 0.000 0.884 251 G HN 0.921 nan 8.290 nan 0.000 0.514 252 S N -0.941 114.762 115.700 0.005 0.000 2.616 252 S HA 0.193 4.663 4.470 0.001 0.000 0.277 252 S C 1.201 175.823 174.600 0.037 0.000 1.234 252 S CA -0.266 57.957 58.200 0.039 0.000 1.028 252 S CB 0.999 64.197 63.200 -0.004 0.000 0.988 252 S HN 0.667 nan 8.310 nan 0.000 0.522 253 D N 3.158 123.596 120.400 0.063 0.000 2.349 253 D HA -0.035 4.605 4.640 0.001 0.000 0.224 253 D C 0.634 176.956 176.300 0.036 0.000 1.029 253 D CA 0.177 54.208 54.000 0.052 0.000 0.879 253 D CB 0.060 40.900 40.800 0.066 0.000 0.906 253 D HN 0.387 nan 8.370 nan 0.000 0.528 254 M N 1.003 120.613 119.600 0.017 0.000 2.475 254 M HA 0.163 4.643 4.480 0.001 0.000 0.261 254 M C -0.214 176.077 176.300 -0.015 0.000 1.177 254 M CA 0.264 55.557 55.300 -0.013 0.000 0.979 254 M CB 0.470 33.062 32.600 -0.013 0.000 1.482 254 M HN -0.199 nan 8.290 nan 0.000 0.484 255 T N 1.470 116.045 114.554 0.034 0.000 2.848 255 T HA 0.625 4.976 4.350 0.001 0.000 0.285 255 T C -0.725 174.164 174.700 0.316 0.000 0.995 255 T CA -0.472 61.696 62.100 0.114 0.000 0.970 255 T CB 1.893 70.761 68.868 -0.001 0.000 0.976 255 T HN 0.355 nan 8.240 nan 0.000 0.441 256 Y N -0.620 119.858 120.300 0.297 0.000 2.677 256 Y HA 0.827 5.377 4.550 0.001 0.000 0.334 256 Y C 0.060 176.180 175.900 0.367 0.000 1.154 256 Y CA -1.848 56.465 58.100 0.356 0.000 1.070 256 Y CB 1.092 39.682 38.460 0.217 0.000 1.294 256 Y HN 0.732 nan 8.280 nan 0.000 0.475 257 G N 0.160 109.119 108.800 0.266 0.000 2.370 257 G HA2 0.483 4.443 3.960 0.001 0.000 0.272 257 G HA3 0.483 4.443 3.960 0.001 0.000 0.272 257 G C -0.373 174.366 174.900 -0.268 0.000 1.208 257 G CA 0.110 45.208 45.100 -0.003 0.000 0.856 257 G HN 1.053 nan 8.290 nan 0.000 0.500 258 G N 0.282 108.973 108.800 -0.180 0.000 3.166 258 G HA2 0.874 4.835 3.960 0.001 0.000 0.267 258 G HA3 0.874 4.835 3.960 0.001 0.000 0.267 258 G C -1.175 173.909 174.900 0.306 0.000 1.256 258 G CA -0.696 44.452 45.100 0.080 0.000 0.859 258 G HN 1.313 nan 8.290 nan 0.000 0.590 259 F N -0.951 119.256 119.950 0.429 0.000 2.744 259 F HA 0.647 5.175 4.527 0.001 0.000 0.311 259 F C -1.190 174.847 175.800 0.395 0.000 1.144 259 F CA -1.473 56.712 58.000 0.310 0.000 0.938 259 F CB 0.890 40.092 39.000 0.336 0.000 1.292 259 F HN 0.703 nan 8.300 nan 0.000 0.444 260 N N -0.174 118.771 118.700 0.408 0.000 2.563 260 N HA 0.346 5.086 4.740 0.001 0.000 0.288 260 N C -0.011 175.840 175.510 0.568 0.000 1.246 260 N CA -0.765 52.480 53.050 0.325 0.000 0.946 260 N CB 0.350 38.967 38.487 0.217 0.000 1.213 260 N HN 0.763 nan 8.380 nan 0.000 0.578 261 W N 0.063 121.487 121.300 0.207 0.000 2.325 261 W HA -0.016 4.645 4.660 0.001 0.000 0.299 261 W C 1.226 177.958 176.519 0.355 0.000 1.215 261 W CA 0.954 58.471 57.345 0.287 0.000 1.244 261 W CB -0.702 28.889 29.460 0.218 0.000 1.140 261 W HN 0.592 nan 8.180 nan 0.000 0.523 262 K N 0.069 120.779 120.400 0.516 0.000 2.589 262 K HA 0.076 4.397 4.320 0.001 0.000 0.192 262 K C 0.772 177.561 176.600 0.315 0.000 1.029 262 K CA 0.338 56.898 56.287 0.454 0.000 1.031 262 K CB -0.385 32.292 32.500 0.295 0.000 0.821 262 K HN 0.036 nan 8.250 nan 0.000 0.502 263 L N 0.092 121.495 121.223 0.300 0.000 4.291 263 L HA -0.305 4.036 4.340 0.001 0.000 0.413 263 L C -0.834 176.107 176.870 0.119 0.000 1.162 263 L CA 0.229 55.147 54.840 0.131 0.000 0.961 263 L CB -2.224 39.677 42.059 -0.265 0.000 2.095 263 L HN 0.413 nan 8.230 nan 0.000 0.838 264 N N -0.056 118.764 118.700 0.199 0.000 2.518 264 N HA 0.439 5.179 4.740 0.001 0.000 0.283 264 N C -0.121 175.498 175.510 0.183 0.000 1.119 264 N CA -0.675 52.465 53.050 0.150 0.000 0.983 264 N CB 0.924 39.484 38.487 0.122 0.000 1.139 264 N HN 0.153 nan 8.380 nan 0.000 0.465 265 F N 2.272 122.212 119.950 -0.015 0.000 2.444 265 F HA 0.343 4.870 4.527 0.001 0.000 0.331 265 F C 0.092 175.798 175.800 -0.157 0.000 1.167 265 F CA 0.084 58.034 58.000 -0.082 0.000 1.262 265 F CB 0.566 39.439 39.000 -0.211 0.000 1.196 265 F HN 0.314 nan 8.300 nan 0.000 0.583 266 R N 3.422 123.062 120.500 -1.433 0.000 2.663 266 R HA 0.115 4.455 4.340 0.001 0.000 0.267 266 R C -2.073 173.336 176.300 -1.484 0.000 1.038 266 R CA -0.777 54.605 56.100 -1.196 0.000 0.886 266 R CB 1.086 30.933 30.300 -0.754 0.000 1.249 266 R HN 0.854 nan 8.270 nan 0.000 0.463 267 W N 1.876 122.677 121.300 -0.832 0.000 2.316 267 W HA 0.448 5.108 4.660 0.001 0.000 0.311 267 W C -0.102 176.085 176.519 -0.553 0.000 1.217 267 W CA -0.199 56.852 57.345 -0.490 0.000 1.199 267 W CB 0.701 30.033 29.460 -0.213 0.000 1.202 267 W HN 0.382 nan 8.180 nan 0.000 0.528 268 Y N 3.179 123.681 120.300 0.336 0.000 2.553 268 Y HA 0.344 4.895 4.550 0.001 0.000 0.347 268 Y C -1.870 174.187 175.900 0.262 0.000 1.019 268 Y CA -3.098 55.173 58.100 0.285 0.000 1.032 268 Y CB 2.294 40.944 38.460 0.315 0.000 1.284 268 Y HN 0.126 nan 8.280 nan 0.000 0.466 269 P HA 0.041 nan 4.420 nan 0.000 0.276 269 P C -0.463 176.734 177.300 -0.173 0.000 1.235 269 P CA 0.048 63.192 63.100 0.073 0.000 0.772 269 P CB 1.276 33.026 31.700 0.083 0.000 0.871 270 V N 6.669 126.371 119.914 -0.353 0.000 2.617 270 V HA 0.030 4.151 4.120 0.001 0.000 0.304 270 V C -1.027 174.883 176.094 -0.307 0.000 1.040 270 V CA -0.381 61.549 62.300 -0.618 0.000 1.149 270 V CB -0.162 31.443 31.823 -0.363 0.000 0.914 270 V HN 0.674 nan 8.190 nan 0.000 0.487 271 P HA 0.246 nan 4.420 nan 0.000 0.281 271 P C 0.325 177.578 177.300 -0.078 0.000 1.281 271 P CA -0.549 62.486 63.100 -0.107 0.000 0.811 271 P CB 1.073 32.736 31.700 -0.061 0.000 1.154 272 Q N 0.595 120.367 119.800 -0.048 0.000 2.077 272 Q HA -0.199 4.141 4.340 0.001 0.000 0.206 272 Q C 2.251 178.231 176.000 -0.034 0.000 0.989 272 Q CA 2.071 57.852 55.803 -0.036 0.000 0.853 272 Q CB -0.553 28.169 28.738 -0.027 0.000 0.907 272 Q HN 0.575 nan 8.270 nan 0.000 0.418 273 R N 0.342 120.820 120.500 -0.038 0.000 2.113 273 R HA -0.153 4.187 4.340 0.001 0.000 0.244 273 R C 1.698 177.987 176.300 -0.019 0.000 1.142 273 R CA 1.538 57.618 56.100 -0.032 0.000 0.953 273 R CB -0.491 29.782 30.300 -0.045 0.000 0.860 273 R HN 0.066 nan 8.270 nan 0.000 0.438 274 E N 0.307 120.496 120.200 -0.018 0.000 2.268 274 E HA -0.081 4.269 4.350 0.001 0.000 0.195 274 E C 1.978 178.576 176.600 -0.004 0.000 0.995 274 E CA 1.024 57.424 56.400 0.000 0.000 0.836 274 E CB 0.013 29.708 29.700 -0.008 0.000 0.763 274 E HN 0.452 nan 8.360 nan 0.000 0.491 275 M N 0.120 119.708 119.600 -0.019 0.000 2.287 275 M HA -0.031 4.449 4.480 0.001 0.000 0.266 275 M C 1.398 177.695 176.300 -0.005 0.000 1.079 275 M CA 0.936 56.228 55.300 -0.013 0.000 1.146 275 M CB -0.745 31.842 32.600 -0.021 0.000 1.374 275 M HN -0.109 nan 8.290 nan 0.000 0.435 276 D N 0.287 120.682 120.400 -0.008 0.000 2.144 276 D HA -0.109 4.532 4.640 0.001 0.000 0.200 276 D C 2.099 178.400 176.300 0.001 0.000 0.978 276 D CA 0.919 54.915 54.000 -0.005 0.000 0.833 276 D CB -0.235 40.559 40.800 -0.010 0.000 0.961 276 D HN 0.286 nan 8.370 nan 0.000 0.470 277 R N 0.624 121.127 120.500 0.005 0.000 2.096 277 R HA -0.001 4.340 4.340 0.001 0.000 0.235 277 R C 1.405 177.717 176.300 0.020 0.000 1.127 277 R CA 0.979 57.088 56.100 0.015 0.000 0.968 277 R CB 0.149 30.463 30.300 0.023 0.000 0.861 277 R HN 0.061 nan 8.270 nan 0.000 0.440 278 R N 0.194 120.705 120.500 0.019 0.000 2.359 278 R HA 0.125 4.466 4.340 0.001 0.000 0.231 278 R C 0.041 176.349 176.300 0.014 0.000 0.913 278 R CA 0.009 56.121 56.100 0.021 0.000 1.075 278 R CB 0.338 30.653 30.300 0.026 0.000 1.087 278 R HN 0.119 nan 8.270 nan 0.000 0.515 279 K N -0.303 120.102 120.400 0.009 0.000 2.960 279 K HA -0.266 4.054 4.320 0.001 0.000 0.259 279 K C 0.712 177.316 176.600 0.005 0.000 1.025 279 K CA 0.525 56.815 56.287 0.006 0.000 0.756 279 K CB -1.409 31.095 32.500 0.006 0.000 1.221 279 K HN 0.653 nan 8.250 nan 0.000 0.483 280 G N 0.376 109.180 108.800 0.006 0.000 2.234 280 G HA2 -0.297 3.664 3.960 0.001 0.000 0.235 280 G HA3 -0.297 3.664 3.960 0.001 0.000 0.235 280 G C -0.189 174.718 174.900 0.011 0.000 0.997 280 G CA 0.133 45.237 45.100 0.006 0.000 0.623 280 G HN 0.452 nan 8.290 nan 0.000 0.514 281 D N 0.903 121.311 120.400 0.013 0.000 2.348 281 D HA 0.369 5.009 4.640 0.001 0.000 0.259 281 D C 1.639 177.954 176.300 0.025 0.000 1.296 281 D CA -0.238 53.773 54.000 0.018 0.000 0.931 281 D CB 0.274 41.083 40.800 0.016 0.000 1.067 281 D HN 0.457 nan 8.370 nan 0.000 0.503 282 R N 1.191 121.708 120.500 0.029 0.000 2.307 282 R HA -0.028 4.312 4.340 0.001 0.000 0.199 282 R C 1.890 178.220 176.300 0.050 0.000 1.000 282 R CA 1.013 57.136 56.100 0.037 0.000 1.023 282 R CB 0.086 30.408 30.300 0.036 0.000 0.908 282 R HN 0.460 nan 8.270 nan 0.000 0.473 283 T N -1.764 112.820 114.554 0.049 0.000 3.118 283 T HA 0.100 4.450 4.350 0.001 0.000 0.260 283 T C 0.725 175.463 174.700 0.064 0.000 1.139 283 T CA 0.249 62.386 62.100 0.062 0.000 1.085 283 T CB 0.009 68.910 68.868 0.054 0.000 0.934 283 T HN 0.004 nan 8.240 nan 0.000 0.518 284 L N 2.019 123.274 121.223 0.052 0.000 2.326 284 L HA 0.424 4.765 4.340 0.001 0.000 0.278 284 L C -2.299 174.610 176.870 0.065 0.000 1.092 284 L CA -2.664 52.207 54.840 0.052 0.000 0.810 284 L CB 0.700 42.782 42.059 0.039 0.000 1.153 284 L HN -0.073 nan 8.230 nan 0.000 0.439 285 P HA -0.064 nan 4.420 nan 0.000 0.267 285 P C -0.713 176.654 177.300 0.112 0.000 1.195 285 P CA 0.008 63.161 63.100 0.089 0.000 0.773 285 P CB 0.518 32.268 31.700 0.084 0.000 0.837 286 V N 4.487 124.486 119.914 0.142 0.000 2.427 286 V HA 0.256 4.376 4.120 0.001 0.000 0.286 286 V C 0.678 176.925 176.094 0.255 0.000 1.034 286 V CA -0.488 61.925 62.300 0.189 0.000 0.893 286 V CB 1.188 33.137 31.823 0.209 0.000 0.982 286 V HN 0.422 nan 8.190 nan 0.000 0.452 287 R N 2.519 123.190 120.500 0.284 0.000 2.325 287 R HA 0.255 4.596 4.340 0.001 0.000 0.323 287 R C 0.169 176.689 176.300 0.367 0.000 1.177 287 R CA -0.110 56.218 56.100 0.380 0.000 1.018 287 R CB 0.374 30.878 30.300 0.341 0.000 1.070 287 R HN 0.638 nan 8.270 nan 0.000 0.495 288 T N 3.454 118.227 114.554 0.365 0.000 2.749 288 T HA 0.185 4.535 4.350 0.001 0.000 0.295 288 T C -1.548 173.205 174.700 0.088 0.000 0.936 288 T CA -2.411 59.757 62.100 0.112 0.000 1.060 288 T CB 0.995 69.975 68.868 0.187 0.000 0.904 288 T HN 0.264 nan 8.240 nan 0.000 0.500 289 P HA -0.015 nan 4.420 nan 0.000 0.216 289 P C 0.437 177.834 177.300 0.162 0.000 1.150 289 P CA 1.046 63.916 63.100 -0.384 0.000 0.843 289 P CB 0.153 31.101 31.700 -1.253 0.000 0.787 290 T N -5.338 109.263 114.554 0.078 0.000 2.841 290 T HA 0.628 4.979 4.350 0.001 0.000 0.296 290 T C -0.938 173.868 174.700 0.177 0.000 1.166 290 T CA -0.990 61.233 62.100 0.205 0.000 1.007 290 T CB 1.612 70.648 68.868 0.280 0.000 1.253 290 T HN -0.115 nan 8.240 nan 0.000 0.511 291 M N 1.328 120.951 119.600 0.039 0.000 2.465 291 M HA 0.683 5.163 4.480 0.001 0.000 0.316 291 M C 0.894 176.840 176.300 -0.589 0.000 1.121 291 M CA -0.973 54.253 55.300 -0.124 0.000 0.934 291 M CB 1.974 34.449 32.600 -0.209 0.000 1.692 291 M HN 0.905 nan 8.290 nan 0.000 0.444 292 A N 2.794 125.124 122.820 -0.817 0.000 2.076 292 A HA 0.175 4.496 4.320 0.001 0.000 0.220 292 A C 1.571 178.707 177.584 -0.748 0.000 1.160 292 A CA 2.003 53.190 52.037 -1.417 0.000 0.653 292 A CB -1.180 17.459 19.000 -0.603 0.000 0.801 292 A HN 1.866 nan 8.150 nan 0.000 0.455 293 G N -2.508 106.048 108.800 -0.407 0.000 2.347 293 G HA2 -0.276 3.684 3.960 0.001 0.000 0.247 293 G HA3 -0.276 3.684 3.960 0.001 0.000 0.247 293 G C 1.636 176.539 174.900 0.005 0.000 1.037 293 G CA 1.082 46.053 45.100 -0.215 0.000 0.622 293 G HN 1.397 nan 8.290 nan 0.000 0.521 294 G N 0.584 109.355 108.800 -0.050 0.000 2.511 294 G HA2 0.229 4.190 3.960 0.001 0.000 0.216 294 G HA3 0.229 4.190 3.960 0.001 0.000 0.216 294 G C 0.766 175.757 174.900 0.151 0.000 1.218 294 G CA 1.174 46.288 45.100 0.023 0.000 0.788 294 G HN 1.090 nan 8.290 nan 0.000 0.560 295 L N -0.306 121.039 121.223 0.203 0.000 2.385 295 L HA 0.760 5.101 4.340 0.001 0.000 0.273 295 L C -0.919 176.188 176.870 0.395 0.000 0.990 295 L CA -1.080 53.907 54.840 0.245 0.000 0.821 295 L CB 2.029 44.184 42.059 0.160 0.000 1.279 295 L HN 0.414 nan 8.230 nan 0.000 0.412 296 F N -0.291 119.745 119.950 0.144 0.000 2.799 296 F HA 0.706 5.234 4.527 0.001 0.000 0.316 296 F C -1.307 174.559 175.800 0.109 0.000 1.155 296 F CA -0.689 57.381 58.000 0.117 0.000 0.916 296 F CB 1.459 40.509 39.000 0.084 0.000 1.294 296 F HN 0.277 nan 8.300 nan 0.000 0.447 297 S N 2.403 118.160 115.700 0.096 0.000 2.513 297 S HA 0.844 5.314 4.470 0.001 0.000 0.299 297 S C -1.239 173.389 174.600 0.045 0.000 1.087 297 S CA -0.721 57.423 58.200 -0.094 0.000 1.012 297 S CB 1.748 64.898 63.200 -0.082 0.000 1.044 297 S HN 0.843 nan 8.310 nan 0.000 0.485 298 I N 1.409 121.940 120.570 -0.066 0.000 2.827 298 I HA 0.290 4.460 4.170 0.001 0.000 0.298 298 I C -1.331 174.788 176.117 0.003 0.000 1.235 298 I CA -0.696 60.641 61.300 0.061 0.000 1.021 298 I CB 1.889 40.024 38.000 0.224 0.000 1.259 298 I HN 0.605 nan 8.210 nan 0.000 0.427 299 D N 5.417 125.865 120.400 0.079 0.000 2.458 299 D HA -0.047 4.594 4.640 0.001 0.000 0.243 299 D C 1.087 177.455 176.300 0.114 0.000 1.146 299 D CA 0.079 54.121 54.000 0.070 0.000 0.877 299 D CB 1.319 42.175 40.800 0.093 0.000 1.176 299 D HN 0.670 nan 8.370 nan 0.000 0.461 300 R N 3.831 124.362 120.500 0.051 0.000 2.096 300 R HA -0.203 4.137 4.340 0.001 0.000 0.240 300 R C 1.059 177.448 176.300 0.148 0.000 1.139 300 R CA 2.046 58.192 56.100 0.078 0.000 0.952 300 R CB -0.202 30.114 30.300 0.027 0.000 0.854 300 R HN 0.450 nan 8.270 nan 0.000 0.436 301 D N -0.997 119.475 120.400 0.121 0.000 2.277 301 D HA -0.127 4.514 4.640 0.001 0.000 0.208 301 D C 1.510 177.898 176.300 0.147 0.000 0.962 301 D CA 0.938 55.005 54.000 0.113 0.000 0.865 301 D CB -0.169 40.680 40.800 0.081 0.000 0.939 301 D HN 0.378 nan 8.370 nan 0.000 0.510 302 Y N 0.091 120.433 120.300 0.070 0.000 2.337 302 Y HA -0.184 4.367 4.550 0.001 0.000 0.293 302 Y C 2.111 178.081 175.900 0.117 0.000 1.123 302 Y CA 0.606 58.743 58.100 0.062 0.000 1.201 302 Y CB -0.030 38.454 38.460 0.040 0.000 1.011 302 Y HN -0.203 nan 8.280 nan 0.000 0.545 303 F N 1.503 121.419 119.950 -0.057 0.000 2.069 303 F HA -0.298 4.230 4.527 0.001 0.000 0.298 303 F C 2.207 177.914 175.800 -0.154 0.000 1.113 303 F CA 2.198 60.139 58.000 -0.100 0.000 1.214 303 F CB -0.816 38.202 39.000 0.029 0.000 0.978 303 F HN 0.127 nan 8.300 nan 0.000 0.474 304 Q N -0.365 119.383 119.800 -0.085 0.000 2.124 304 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 304 Q C 2.236 178.117 176.000 -0.198 0.000 0.977 304 Q CA 1.783 57.476 55.803 -0.183 0.000 0.850 304 Q CB -0.441 28.265 28.738 -0.053 0.000 0.901 304 Q HN 0.603 nan 8.270 nan 0.000 0.429 305 E N 1.104 121.197 120.200 -0.179 0.000 2.110 305 E HA -0.183 4.168 4.350 0.001 0.000 0.193 305 E C 1.544 177.986 176.600 -0.263 0.000 0.988 305 E CA 1.110 57.397 56.400 -0.188 0.000 0.804 305 E CB -0.014 29.602 29.700 -0.141 0.000 0.745 305 E HN 0.562 nan 8.360 nan 0.000 0.458 306 I N -3.692 116.631 120.570 -0.412 0.000 3.855 306 I HA 0.428 4.599 4.170 0.001 0.000 0.327 306 I C 0.829 176.791 176.117 -0.258 0.000 1.359 306 I CA 0.335 61.426 61.300 -0.349 0.000 1.142 306 I CB 0.356 38.061 38.000 -0.491 0.000 1.041 306 I HN 0.151 nan 8.210 nan 0.000 0.403 307 G N 2.342 110.980 108.800 -0.270 0.000 2.171 307 G HA2 -0.341 3.620 3.960 0.001 0.000 0.238 307 G HA3 -0.341 3.620 3.960 0.001 0.000 0.238 307 G C 0.615 175.287 174.900 -0.381 0.000 1.039 307 G CA 0.874 45.828 45.100 -0.244 0.000 0.759 307 G HN 0.885 nan 8.290 nan 0.000 0.501 308 T N -2.729 111.398 114.554 -0.712 0.000 9.697 308 T HA -0.417 3.933 4.350 0.001 0.000 0.301 308 T C 0.948 175.195 174.700 -0.754 0.000 1.577 308 T CA 1.902 63.220 62.100 -1.304 0.000 1.753 308 T CB -0.769 67.448 68.868 -1.085 0.000 2.069 308 T HN 1.520 nan 8.240 nan 0.000 0.499 309 Y N 1.648 121.767 120.300 -0.301 0.000 2.602 309 Y HA 0.546 5.096 4.550 0.001 0.000 0.342 309 Y C -0.175 175.670 175.900 -0.091 0.000 1.029 309 Y CA -0.867 57.159 58.100 -0.123 0.000 1.080 309 Y CB 1.667 40.092 38.460 -0.059 0.000 1.284 309 Y HN 0.634 nan 8.280 nan 0.000 0.485 310 D N 1.222 121.720 120.400 0.162 0.000 2.441 310 D HA 0.259 4.899 4.640 0.001 0.000 0.221 310 D C 0.441 176.768 176.300 0.045 0.000 1.156 310 D CA -0.002 54.048 54.000 0.083 0.000 0.896 310 D CB 1.102 41.959 40.800 0.096 0.000 1.028 310 D HN 0.658 nan 8.370 nan 0.000 0.509 311 A N 2.939 125.772 122.820 0.021 0.000 2.248 311 A HA 0.096 4.417 4.320 0.001 0.000 0.210 311 A C 1.964 179.541 177.584 -0.012 0.000 1.174 311 A CA 0.941 52.971 52.037 -0.012 0.000 0.750 311 A CB -0.332 18.658 19.000 -0.017 0.000 0.780 311 A HN 0.592 nan 8.150 nan 0.000 0.478 312 G N -0.792 108.014 108.800 0.009 0.000 2.572 312 G HA2 0.131 4.092 3.960 0.001 0.000 0.216 312 G HA3 0.131 4.092 3.960 0.001 0.000 0.216 312 G C 0.750 175.665 174.900 0.025 0.000 1.133 312 G CA -0.087 45.025 45.100 0.019 0.000 0.791 312 G HN 0.505 nan 8.290 nan 0.000 0.538 313 M N 2.439 122.047 119.600 0.013 0.000 2.238 313 M HA 0.175 4.656 4.480 0.001 0.000 0.347 313 M C -0.038 176.257 176.300 -0.009 0.000 1.173 313 M CA -0.445 54.862 55.300 0.011 0.000 1.147 313 M CB 0.776 33.369 32.600 -0.011 0.000 1.547 313 M HN 0.194 nan 8.290 nan 0.000 0.455 314 D N 3.881 124.294 120.400 0.023 0.000 2.414 314 D HA 0.001 4.641 4.640 0.001 0.000 0.242 314 D C 1.123 177.396 176.300 -0.045 0.000 1.129 314 D CA -0.381 53.637 54.000 0.030 0.000 0.885 314 D CB 1.232 42.108 40.800 0.127 0.000 1.198 314 D HN 0.673 nan 8.370 nan 0.000 0.437 315 I N -1.248 119.217 120.570 -0.174 0.000 2.756 315 I HA -0.104 4.067 4.170 0.001 0.000 0.262 315 I C 0.608 176.450 176.117 -0.458 0.000 1.225 315 I CA 0.284 61.351 61.300 -0.388 0.000 1.472 315 I CB -1.298 36.357 38.000 -0.575 0.000 1.094 315 I HN 0.390 nan 8.210 nan 0.000 0.454 316 W N 1.820 123.094 121.300 -0.044 0.000 3.353 316 W HA 0.456 5.116 4.660 0.001 0.000 0.304 316 W C 2.277 178.780 176.519 -0.027 0.000 1.273 316 W CA 0.205 57.529 57.345 -0.035 0.000 1.773 316 W CB -0.531 28.917 29.460 -0.021 0.000 1.095 316 W HN 0.105 nan 8.180 nan 0.000 0.676 317 G N 0.876 109.734 108.800 0.096 0.000 2.556 317 G HA2 0.317 4.278 3.960 0.001 0.000 0.215 317 G HA3 0.317 4.278 3.960 0.001 0.000 0.215 317 G C 1.035 175.943 174.900 0.014 0.000 1.258 317 G CA 1.511 46.644 45.100 0.054 0.000 0.811 317 G HN 0.458 nan 8.290 nan 0.000 0.557 318 G N -0.770 108.000 108.800 -0.051 0.000 2.456 318 G HA2 -0.052 3.908 3.960 0.001 0.000 0.204 318 G HA3 -0.052 3.908 3.960 0.001 0.000 0.204 318 G C -0.732 174.102 174.900 -0.110 0.000 1.193 318 G CA 0.004 45.063 45.100 -0.068 0.000 1.220 318 G HN 0.478 nan 8.290 nan 0.000 0.565 319 E N 1.461 121.604 120.200 -0.095 0.000 2.373 319 E HA 0.556 4.906 4.350 0.001 0.000 0.263 319 E C 0.137 176.655 176.600 -0.138 0.000 1.073 319 E CA -0.010 56.310 56.400 -0.133 0.000 0.894 319 E CB 0.975 30.580 29.700 -0.159 0.000 1.008 319 E HN 0.540 nan 8.360 nan 0.000 0.420 320 N N 0.306 118.906 118.700 -0.168 0.000 2.525 320 N HA 0.215 4.955 4.740 0.001 0.000 0.270 320 N C 0.153 175.492 175.510 -0.286 0.000 1.321 320 N CA -0.704 52.231 53.050 -0.193 0.000 0.797 320 N CB 1.262 39.653 38.487 -0.161 0.000 1.529 320 N HN 0.068 nan 8.380 nan 0.000 0.491 321 L N 0.864 121.850 121.223 -0.396 0.000 2.418 321 L HA 0.073 4.414 4.340 0.001 0.000 0.218 321 L C 2.173 178.530 176.870 -0.855 0.000 1.125 321 L CA 1.130 55.559 54.840 -0.685 0.000 0.835 321 L CB -1.079 40.376 42.059 -1.006 0.000 0.953 321 L HN 0.771 nan 8.230 nan 0.000 0.454 322 E N 1.129 121.007 120.200 -0.537 0.000 2.048 322 E HA -0.295 4.055 4.350 0.001 0.000 0.202 322 E C 2.197 178.551 176.600 -0.410 0.000 1.021 322 E CA 1.672 57.845 56.400 -0.379 0.000 0.825 322 E CB -0.189 29.436 29.700 -0.126 0.000 0.756 322 E HN 0.472 nan 8.360 nan 0.000 0.454 323 I N 0.438 120.826 120.570 -0.303 0.000 2.614 323 I HA -0.211 3.959 4.170 0.001 0.000 0.258 323 I C 1.966 177.856 176.117 -0.379 0.000 1.189 323 I CA 0.792 61.895 61.300 -0.327 0.000 1.462 323 I CB 0.034 37.856 38.000 -0.295 0.000 1.092 323 I HN -0.002 nan 8.210 nan 0.000 0.442 324 S N 0.728 116.198 115.700 -0.383 0.000 2.345 324 S HA -0.068 4.402 4.470 0.001 0.000 0.219 324 S C 1.646 176.190 174.600 -0.093 0.000 1.031 324 S CA 0.997 59.056 58.200 -0.235 0.000 0.984 324 S CB -0.322 62.771 63.200 -0.180 0.000 0.874 324 S HN 0.380 nan 8.310 nan 0.000 0.451 325 F N 1.984 121.693 119.950 -0.401 0.000 2.171 325 F HA 0.048 4.575 4.527 0.001 0.000 0.300 325 F C 2.422 177.777 175.800 -0.742 0.000 1.090 325 F CA 0.597 58.252 58.000 -0.574 0.000 1.293 325 F CB -1.083 37.619 39.000 -0.496 0.000 1.013 325 F HN 0.108 nan 8.300 nan 0.000 0.486 326 R N 0.830 120.830 120.500 -0.834 0.000 2.080 326 R HA -0.171 4.169 4.340 0.001 0.000 0.236 326 R C 2.285 178.308 176.300 -0.460 0.000 1.137 326 R CA 1.867 57.356 56.100 -1.018 0.000 0.943 326 R CB -0.627 29.218 30.300 -0.758 0.000 0.846 326 R HN 0.242 nan 8.270 nan 0.000 0.431 327 I N -0.784 119.589 120.570 -0.329 0.000 2.163 327 I HA -0.334 3.836 4.170 0.001 0.000 0.243 327 I C 2.049 178.084 176.117 -0.137 0.000 1.085 327 I CA 1.791 62.953 61.300 -0.231 0.000 1.347 327 I CB -0.403 37.398 38.000 -0.332 0.000 1.044 327 I HN 0.351 nan 8.210 nan 0.000 0.408 328 W N 0.880 122.153 121.300 -0.045 0.000 2.380 328 W HA -0.183 4.478 4.660 0.001 0.000 0.317 328 W C 2.821 179.409 176.519 0.116 0.000 1.196 328 W CA 0.700 58.112 57.345 0.111 0.000 1.307 328 W CB -0.534 29.038 29.460 0.187 0.000 1.157 328 W HN 0.057 nan 8.180 nan 0.000 0.483 329 Q N -0.943 119.009 119.800 0.252 0.000 2.297 329 Q HA -0.171 4.170 4.340 0.001 0.000 0.208 329 Q C 0.854 176.869 176.000 0.025 0.000 0.981 329 Q CA 0.876 56.767 55.803 0.147 0.000 0.876 329 Q CB -0.363 28.482 28.738 0.177 0.000 0.921 329 Q HN 0.236 nan 8.270 nan 0.000 0.446 330 c N 0.375 118.986 118.600 0.017 0.000 2.438 330 c HA 0.511 5.082 4.570 0.001 0.000 0.366 330 c C 1.407 175.516 174.090 0.032 0.000 1.390 330 c CA -0.260 56.080 56.329 0.019 0.000 1.725 330 c CB -0.754 41.773 42.510 0.028 0.000 2.664 330 c HN 0.750 nan 8.230 nan 0.000 0.578 331 G N 1.202 110.005 108.800 0.006 0.000 2.377 331 G HA2 -0.193 3.767 3.960 0.001 0.000 0.250 331 G HA3 -0.193 3.767 3.960 0.001 0.000 0.250 331 G C 0.617 175.559 174.900 0.069 0.000 1.039 331 G CA 0.325 45.447 45.100 0.037 0.000 0.625 331 G HN 0.904 nan 8.290 nan 0.000 0.526 332 G N -0.755 108.093 108.800 0.079 0.000 2.631 332 G HA2 0.529 4.490 3.960 0.001 0.000 0.271 332 G HA3 0.529 4.490 3.960 0.001 0.000 0.271 332 G C -0.175 174.576 174.900 -0.248 0.000 1.302 332 G CA 0.963 46.033 45.100 -0.049 0.000 1.002 332 G HN 0.880 nan 8.290 nan 0.000 0.519 333 T N -0.003 114.293 114.554 -0.431 0.000 2.921 333 T HA 0.413 4.764 4.350 0.001 0.000 0.297 333 T C -1.127 173.142 174.700 -0.719 0.000 1.013 333 T CA -0.323 61.374 62.100 -0.672 0.000 0.990 333 T CB 1.714 70.454 68.868 -0.213 0.000 1.023 333 T HN 0.381 nan 8.240 nan 0.000 0.447 334 L N 3.512 124.080 121.223 -1.092 0.000 2.305 334 L HA 0.634 4.974 4.340 0.001 0.000 0.284 334 L C -0.464 176.391 176.870 -0.024 0.000 1.013 334 L CA -0.044 54.513 54.840 -0.472 0.000 0.819 334 L CB 0.894 42.649 42.059 -0.506 0.000 1.227 334 L HN 0.655 nan 8.230 nan 0.000 0.417 335 E N 4.610 124.827 120.200 0.027 0.000 2.359 335 E HA 0.532 4.883 4.350 0.001 0.000 0.266 335 E C -1.163 175.517 176.600 0.133 0.000 0.920 335 E CA -0.784 55.692 56.400 0.126 0.000 0.788 335 E CB 2.685 32.446 29.700 0.102 0.000 1.279 335 E HN 0.458 nan 8.360 nan 0.000 0.438 336 I N 2.104 122.772 120.570 0.164 0.000 2.359 336 I HA 0.174 4.344 4.170 0.001 0.000 0.284 336 I C -0.670 175.514 176.117 0.111 0.000 1.018 336 I CA -0.794 60.600 61.300 0.156 0.000 1.173 336 I CB 1.424 39.546 38.000 0.204 0.000 1.326 336 I HN 0.199 nan 8.210 nan 0.000 0.462 337 V N 5.834 125.797 119.914 0.081 0.000 2.364 337 V HA -0.036 4.084 4.120 0.001 0.000 0.252 337 V C 1.626 177.740 176.094 0.033 0.000 1.075 337 V CA 0.093 62.426 62.300 0.056 0.000 1.033 337 V CB 0.377 32.218 31.823 0.031 0.000 1.116 337 V HN 0.904 nan 8.190 nan 0.000 0.488 338 T N -0.371 114.208 114.554 0.042 0.000 3.118 338 T HA -0.155 4.195 4.350 0.001 0.000 0.269 338 T C 1.261 175.983 174.700 0.036 0.000 1.166 338 T CA 0.967 63.077 62.100 0.016 0.000 1.073 338 T CB -0.510 68.391 68.868 0.054 0.000 0.884 338 T HN 0.643 nan 8.240 nan 0.000 0.550 339 c N 1.023 119.666 118.600 0.071 0.000 2.926 339 c HA 0.486 5.056 4.570 0.001 0.000 0.272 339 c C 1.335 175.517 174.090 0.153 0.000 1.249 339 c CA -0.531 55.881 56.329 0.139 0.000 1.691 339 c CB -0.734 41.880 42.510 0.174 0.000 1.983 339 c HN 0.633 nan 8.230 nan 0.000 0.615 340 S N 0.714 116.457 115.700 0.071 0.000 2.437 340 S HA 0.486 4.956 4.470 0.001 0.000 0.305 340 S C -0.990 173.625 174.600 0.026 0.000 1.109 340 S CA -0.158 58.118 58.200 0.127 0.000 1.099 340 S CB 0.136 63.405 63.200 0.115 0.000 1.004 340 S HN 0.576 nan 8.310 nan 0.000 0.475 341 H N 2.648 121.852 119.070 0.224 0.000 2.600 341 H HA 0.644 5.201 4.556 0.001 0.000 0.357 341 H C -1.141 174.301 175.328 0.189 0.000 1.106 341 H CA -0.546 55.619 56.048 0.195 0.000 1.193 341 H CB 2.027 31.900 29.762 0.185 0.000 1.594 341 H HN 0.430 nan 8.280 nan 0.000 0.526 342 V N 1.720 121.788 119.914 0.258 0.000 2.777 342 V HA 0.348 4.469 4.120 0.001 0.000 0.306 342 V C 0.484 176.685 176.094 0.179 0.000 1.112 342 V CA -1.001 61.382 62.300 0.138 0.000 0.917 342 V CB 2.112 33.954 31.823 0.032 0.000 1.018 342 V HN 0.944 nan 8.190 nan 0.000 0.426 343 G N 1.650 110.569 108.800 0.199 0.000 2.507 343 G HA2 0.553 4.513 3.960 0.001 0.000 0.271 343 G HA3 0.553 4.513 3.960 0.001 0.000 0.271 343 G C -0.815 174.159 174.900 0.123 0.000 1.189 343 G CA -0.035 45.160 45.100 0.159 0.000 0.859 343 G HN 0.829 nan 8.290 nan 0.000 0.542 344 H N 0.130 119.160 119.070 -0.067 0.000 3.042 344 H HA 0.298 4.855 4.556 0.001 0.000 0.345 344 H C -0.631 174.504 175.328 -0.322 0.000 1.052 344 H CA -0.566 55.375 56.048 -0.178 0.000 1.311 344 H CB 1.842 31.425 29.762 -0.299 0.000 1.810 344 H HN 0.562 nan 8.280 nan 0.000 0.505 345 V N 3.326 122.930 119.914 -0.518 0.000 2.614 345 V HA 0.444 4.564 4.120 0.001 0.000 0.291 345 V C -0.523 175.243 176.094 -0.547 0.000 1.049 345 V CA -0.049 61.981 62.300 -0.450 0.000 1.038 345 V CB -0.011 31.522 31.823 -0.483 0.000 0.980 345 V HN 0.395 nan 8.190 nan 0.000 0.481 360 Q N 0.914 120.753 119.800 0.065 0.000 2.050 360 Q HA 0.180 4.521 4.340 0.001 0.000 0.202 360 Q C 2.522 178.578 176.000 0.092 0.000 0.980 360 Q CA 1.450 57.300 55.803 0.079 0.000 0.840 360 Q CB -0.470 28.303 28.738 0.059 0.000 0.898 360 Q HN 0.645 nan 8.270 nan 0.000 0.424 361 I N -0.045 120.574 120.570 0.083 0.000 2.118 361 I HA -0.332 3.839 4.170 0.001 0.000 0.241 361 I C 2.034 178.210 176.117 0.098 0.000 1.070 361 I CA 1.316 62.677 61.300 0.103 0.000 1.327 361 I CB -0.335 37.734 38.000 0.115 0.000 1.034 361 I HN 0.215 nan 8.210 nan 0.000 0.405 362 I N 0.722 121.345 120.570 0.089 0.000 2.163 362 I HA -0.337 3.833 4.170 0.001 0.000 0.243 362 I C 2.112 178.278 176.117 0.081 0.000 1.085 362 I CA 1.470 62.816 61.300 0.077 0.000 1.347 362 I CB -0.591 37.458 38.000 0.081 0.000 1.044 362 I HN 0.354 nan 8.210 nan 0.000 0.408 363 N N 0.856 119.629 118.700 0.123 0.000 2.309 363 N HA -0.180 4.560 4.740 0.001 0.000 0.182 363 N C 1.728 177.329 175.510 0.151 0.000 1.018 363 N CA 0.903 54.058 53.050 0.176 0.000 0.876 363 N CB -0.261 38.365 38.487 0.232 0.000 0.972 363 N HN 0.416 nan 8.380 nan 0.000 0.434 364 K N 1.099 121.581 120.400 0.137 0.000 2.057 364 K HA -0.062 4.258 4.320 0.001 0.000 0.207 364 K C 1.191 177.854 176.600 0.105 0.000 1.049 364 K CA 1.127 57.507 56.287 0.155 0.000 0.931 364 K CB 0.101 32.687 32.500 0.143 0.000 0.714 364 K HN 0.050 nan 8.250 nan 0.000 0.440 365 N N 1.240 119.972 118.700 0.054 0.000 2.216 365 N HA -0.113 4.628 4.740 0.001 0.000 0.183 365 N C 1.413 176.883 175.510 -0.066 0.000 1.017 365 N CA 0.928 53.981 53.050 0.005 0.000 0.861 365 N CB -0.495 37.985 38.487 -0.012 0.000 0.986 365 N HN 0.272 nan 8.380 nan 0.000 0.428 366 N N 1.426 120.060 118.700 -0.110 0.000 2.084 366 N HA -0.075 4.665 4.740 0.001 0.000 0.190 366 N C 1.729 177.044 175.510 -0.326 0.000 1.030 366 N CA 0.804 53.669 53.050 -0.307 0.000 0.849 366 N CB -0.205 37.996 38.487 -0.477 0.000 1.012 366 N HN 0.339 nan 8.380 nan 0.000 0.423 367 R N 0.901 121.308 120.500 -0.155 0.000 2.073 367 R HA 0.019 4.359 4.340 0.001 0.000 0.234 367 R C 2.301 178.412 176.300 -0.315 0.000 1.134 367 R CA 0.945 56.927 56.100 -0.195 0.000 0.952 367 R CB -0.217 30.004 30.300 -0.132 0.000 0.850 367 R HN 0.290 nan 8.270 nan 0.000 0.433 368 R N 0.820 121.231 120.500 -0.149 0.000 2.080 368 R HA -0.171 4.169 4.340 0.001 0.000 0.236 368 R C 2.490 178.767 176.300 -0.039 0.000 1.137 368 R CA 1.899 57.973 56.100 -0.043 0.000 0.943 368 R CB -0.682 29.661 30.300 0.071 0.000 0.846 368 R HN 0.225 nan 8.270 nan 0.000 0.431 369 L N -1.680 119.528 121.223 -0.025 0.000 2.156 369 L HA 0.146 4.487 4.340 0.001 0.000 0.208 369 L C 2.289 179.206 176.870 0.078 0.000 1.095 369 L CA 1.830 56.726 54.840 0.093 0.000 0.770 369 L CB -0.651 41.409 42.059 0.002 0.000 0.914 369 L HN -0.032 nan 8.230 nan 0.000 0.439 370 A N -0.429 122.327 122.820 -0.107 0.000 1.929 370 A HA -0.051 4.269 4.320 0.001 0.000 0.216 370 A C 2.229 179.753 177.584 -0.100 0.000 1.176 370 A CA 1.167 53.115 52.037 -0.150 0.000 0.628 370 A CB -0.465 18.349 19.000 -0.311 0.000 0.816 370 A HN 0.462 nan 8.150 nan 0.000 0.444 371 E N -0.111 120.011 120.200 -0.130 0.000 2.204 371 E HA -0.068 4.283 4.350 0.001 0.000 0.194 371 E C 2.073 178.599 176.600 -0.124 0.000 0.989 371 E CA 1.112 57.448 56.400 -0.106 0.000 0.824 371 E CB -0.230 29.337 29.700 -0.223 0.000 0.756 371 E HN 0.409 nan 8.360 nan 0.000 0.477 372 V N -1.283 118.521 119.914 -0.184 0.000 2.599 372 V HA -0.111 4.010 4.120 0.001 0.000 0.245 372 V C 1.434 177.150 176.094 -0.631 0.000 1.046 372 V CA 1.221 63.262 62.300 -0.432 0.000 1.065 372 V CB -0.283 31.204 31.823 -0.560 0.000 0.703 372 V HN 0.274 nan 8.190 nan 0.000 0.464 373 W N -1.871 119.418 121.300 -0.018 0.000 2.871 373 W HA 0.317 4.978 4.660 0.001 0.000 0.267 373 W C 1.975 178.418 176.519 -0.126 0.000 1.180 373 W CA -0.153 57.192 57.345 -0.000 0.000 1.463 373 W CB -0.006 29.520 29.460 0.110 0.000 0.966 373 W HN 0.030 nan 8.180 nan 0.000 0.605 374 M N 0.966 120.468 119.600 -0.163 0.000 2.628 374 M HA -0.004 4.476 4.480 0.001 0.000 0.232 374 M C 0.058 176.348 176.300 -0.018 0.000 1.128 374 M CA 0.638 55.603 55.300 -0.558 0.000 1.040 374 M CB -0.696 31.475 32.600 -0.715 0.000 1.608 374 M HN -0.087 nan 8.290 nan 0.000 0.507 375 D N 1.423 121.880 120.400 0.095 0.000 3.424 375 D HA -0.293 4.348 4.640 0.001 0.000 0.162 375 D C 1.136 177.520 176.300 0.140 0.000 1.055 375 D CA 1.995 56.090 54.000 0.158 0.000 1.016 375 D CB -0.720 40.249 40.800 0.281 0.000 0.500 375 D HN 0.561 nan 8.370 nan 0.000 0.501 376 E N 1.268 121.547 120.200 0.130 0.000 2.427 376 E HA -0.109 4.242 4.350 0.001 0.000 0.196 376 E C 2.010 178.598 176.600 -0.021 0.000 1.028 376 E CA 0.703 57.106 56.400 0.004 0.000 0.864 376 E CB -0.479 29.159 29.700 -0.103 0.000 0.813 376 E HN 0.514 nan 8.360 nan 0.000 0.514 377 F N 2.578 122.637 119.950 0.182 0.000 2.802 377 F HA 0.076 4.603 4.527 0.001 0.000 0.300 377 F C 2.170 178.075 175.800 0.174 0.000 1.168 377 F CA 0.890 59.045 58.000 0.258 0.000 1.433 377 F CB -0.035 39.094 39.000 0.215 0.000 1.115 377 F HN 0.082 nan 8.300 nan 0.000 0.582 378 K N -0.347 120.166 120.400 0.189 0.000 2.362 378 K HA -0.102 4.218 4.320 0.001 0.000 0.200 378 K C 1.267 177.972 176.600 0.175 0.000 1.046 378 K CA 1.196 57.553 56.287 0.116 0.000 0.952 378 K CB -0.351 32.218 32.500 0.116 0.000 0.753 378 K HN 0.172 nan 8.250 nan 0.000 0.466 379 N N 0.793 119.597 118.700 0.172 0.000 2.309 379 N HA -0.081 4.659 4.740 0.001 0.000 0.182 379 N C 1.402 176.837 175.510 -0.126 0.000 1.018 379 N CA 0.981 54.067 53.050 0.059 0.000 0.876 379 N CB -0.270 38.162 38.487 -0.092 0.000 0.972 379 N HN 0.218 nan 8.380 nan 0.000 0.434 380 F N 0.216 120.065 119.950 -0.169 0.000 2.216 380 F HA -0.140 4.387 4.527 0.001 0.000 0.300 380 F C 2.100 177.821 175.800 -0.132 0.000 1.085 380 F CA 0.799 58.558 58.000 -0.402 0.000 1.326 380 F CB -0.302 38.283 39.000 -0.691 0.000 1.027 380 F HN 0.001 nan 8.300 nan 0.000 0.497 381 F N -0.862 119.086 119.950 -0.004 0.000 2.179 381 F HA -0.114 4.413 4.527 0.001 0.000 0.292 381 F C 2.011 177.772 175.800 -0.065 0.000 1.089 381 F CA 1.148 59.129 58.000 -0.032 0.000 1.295 381 F CB -0.995 37.898 39.000 -0.179 0.000 1.041 381 F HN -0.134 nan 8.300 nan 0.000 0.487 382 Y N 0.584 120.723 120.300 -0.269 0.000 2.145 382 Y HA -0.184 4.366 4.550 0.001 0.000 0.286 382 Y C 2.672 178.415 175.900 -0.262 0.000 1.145 382 Y CA 1.673 59.550 58.100 -0.371 0.000 1.148 382 Y CB -1.135 37.234 38.460 -0.152 0.000 0.981 382 Y HN 0.165 nan 8.280 nan 0.000 0.507 383 I N 0.574 121.127 120.570 -0.028 0.000 2.315 383 I HA -0.266 3.905 4.170 0.001 0.000 0.251 383 I C 1.803 177.899 176.117 -0.034 0.000 1.125 383 I CA 1.727 62.990 61.300 -0.062 0.000 1.392 383 I CB -0.139 37.770 38.000 -0.153 0.000 1.065 383 I HN 0.315 nan 8.210 nan 0.000 0.424 384 I N -3.200 117.359 120.570 -0.018 0.000 3.875 384 I HA 0.187 4.357 4.170 0.001 0.000 0.329 384 I C 0.315 176.412 176.117 -0.033 0.000 1.295 384 I CA 0.045 61.364 61.300 0.032 0.000 1.129 384 I CB 0.177 38.278 38.000 0.169 0.000 1.008 384 I HN -0.070 nan 8.210 nan 0.000 0.413 385 S N 3.636 119.257 115.700 -0.132 0.000 2.272 385 S HA 0.364 4.835 4.470 0.001 0.000 0.207 385 S C -2.426 172.111 174.600 -0.106 0.000 1.336 385 S CA -0.921 57.181 58.200 -0.163 0.000 1.259 385 S CB 0.168 63.123 63.200 -0.408 0.000 1.130 385 S HN 0.270 nan 8.310 nan 0.000 0.444 386 P HA 0.147 nan 4.420 nan 0.000 0.261 386 P C 0.997 178.277 177.300 -0.033 0.000 1.183 386 P CA 1.189 64.263 63.100 -0.043 0.000 0.761 386 P CB 0.408 32.082 31.700 -0.043 0.000 0.785 387 G N 2.219 111.005 108.800 -0.024 0.000 2.234 387 G HA2 -0.308 3.652 3.960 0.001 0.000 0.235 387 G HA3 -0.308 3.652 3.960 0.001 0.000 0.235 387 G C 0.756 175.668 174.900 0.020 0.000 0.997 387 G CA 0.069 45.166 45.100 -0.007 0.000 0.623 387 G HN 0.527 nan 8.290 nan 0.000 0.514 388 V N 1.190 121.119 119.914 0.026 0.000 3.241 388 V HA 0.106 4.226 4.120 0.001 0.000 0.269 388 V C 2.405 178.588 176.094 0.148 0.000 1.151 388 V CA 2.912 65.264 62.300 0.086 0.000 1.158 388 V CB -0.275 31.573 31.823 0.042 0.000 0.764 388 V HN 0.454 nan 8.190 nan 0.000 0.508 389 T N -0.518 114.084 114.554 0.080 0.000 3.118 389 T HA -0.000 4.350 4.350 0.001 0.000 0.260 389 T C 1.672 176.410 174.700 0.064 0.000 1.139 389 T CA 0.562 62.689 62.100 0.044 0.000 1.085 389 T CB -0.156 68.664 68.868 -0.079 0.000 0.934 389 T HN 0.335 nan 8.240 nan 0.000 0.518 390 K N 0.987 121.425 120.400 0.063 0.000 2.393 390 K HA 0.201 4.521 4.320 0.001 0.000 0.193 390 K C 0.278 176.924 176.600 0.077 0.000 1.026 390 K CA 0.096 56.414 56.287 0.051 0.000 1.064 390 K CB 0.302 32.820 32.500 0.030 0.000 0.833 390 K HN 0.207 nan 8.250 nan 0.000 0.521 391 V N 2.990 122.978 119.914 0.123 0.000 2.470 391 V HA 0.012 4.133 4.120 0.001 0.000 0.276 391 V C 0.423 176.626 176.094 0.181 0.000 1.040 391 V CA -0.555 61.832 62.300 0.145 0.000 1.008 391 V CB 0.955 32.885 31.823 0.179 0.000 0.990 391 V HN 0.127 nan 8.190 nan 0.000 0.477 392 D N 4.209 124.676 120.400 0.111 0.000 2.343 392 D HA 0.081 4.722 4.640 0.001 0.000 0.255 392 D C 0.137 176.505 176.300 0.113 0.000 1.187 392 D CA -0.217 53.812 54.000 0.050 0.000 0.875 392 D CB 1.105 41.900 40.800 -0.009 0.000 1.136 392 D HN 0.711 nan 8.370 nan 0.000 0.469 393 Y N 2.662 122.997 120.300 0.058 0.000 2.555 393 Y HA 0.417 4.967 4.550 0.001 0.000 0.259 393 Y C 0.922 176.845 175.900 0.039 0.000 1.179 393 Y CA -0.126 58.010 58.100 0.059 0.000 1.230 393 Y CB 0.092 38.601 38.460 0.081 0.000 1.146 393 Y HN 0.514 nan 8.280 nan 0.000 0.526 394 G N 1.032 109.758 108.800 -0.124 0.000 2.598 394 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 394 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 394 G C -1.423 173.401 174.900 -0.127 0.000 1.302 394 G CA -0.038 45.010 45.100 -0.087 0.000 0.903 394 G HN 0.499 nan 8.290 nan 0.000 0.575 395 D N 0.458 120.835 120.400 -0.039 0.000 2.193 395 D HA 0.563 5.204 4.640 0.001 0.000 0.244 395 D C 1.413 177.733 176.300 0.034 0.000 1.064 395 D CA -0.144 53.842 54.000 -0.023 0.000 0.845 395 D CB 0.816 41.600 40.800 -0.027 0.000 1.148 395 D HN 0.933 nan 8.370 nan 0.000 0.464 396 I N 0.611 121.214 120.570 0.055 0.000 4.147 396 I HA 0.128 4.298 4.170 0.001 0.000 0.329 396 I C 1.439 177.558 176.117 0.003 0.000 1.424 396 I CA -0.393 60.941 61.300 0.055 0.000 1.127 396 I CB 0.281 38.347 38.000 0.110 0.000 1.128 396 I HN 0.170 nan 8.210 nan 0.000 0.417 397 S N 1.056 116.754 115.700 -0.003 0.000 2.365 397 S HA -0.275 4.196 4.470 0.001 0.000 0.225 397 S C 2.135 176.716 174.600 -0.031 0.000 1.039 397 S CA 1.917 60.105 58.200 -0.021 0.000 1.033 397 S CB -0.871 62.317 63.200 -0.019 0.000 0.887 397 S HN 0.612 nan 8.310 nan 0.000 0.447 398 S N 2.112 117.798 115.700 -0.023 0.000 2.359 398 S HA -0.163 4.308 4.470 0.001 0.000 0.224 398 S C 2.172 176.751 174.600 -0.034 0.000 1.035 398 S CA 1.146 59.331 58.200 -0.025 0.000 1.018 398 S CB -0.480 62.711 63.200 -0.017 0.000 0.876 398 S HN 0.522 nan 8.310 nan 0.000 0.448 399 R N 0.878 121.357 120.500 -0.035 0.000 2.092 399 R HA 0.117 4.458 4.340 0.001 0.000 0.231 399 R C 2.379 178.594 176.300 -0.141 0.000 1.119 399 R CA 0.883 56.951 56.100 -0.054 0.000 0.970 399 R CB -1.365 28.916 30.300 -0.032 0.000 0.864 399 R HN 0.467 nan 8.270 nan 0.000 0.440 400 L N -0.063 121.076 121.223 -0.140 0.000 2.083 400 L HA -0.086 4.255 4.340 0.001 0.000 0.209 400 L C 2.454 179.248 176.870 -0.127 0.000 1.083 400 L CA 1.438 56.174 54.840 -0.173 0.000 0.752 400 L CB -0.833 41.157 42.059 -0.115 0.000 0.899 400 L HN 0.296 nan 8.230 nan 0.000 0.433 401 G N 0.220 108.972 108.800 -0.081 0.000 2.421 401 G HA2 -0.288 3.673 3.960 0.001 0.000 0.216 401 G HA3 -0.288 3.673 3.960 0.001 0.000 0.216 401 G C 1.550 176.419 174.900 -0.053 0.000 1.171 401 G CA 0.751 45.817 45.100 -0.057 0.000 0.775 401 G HN 0.234 nan 8.290 nan 0.000 0.543 402 L N 0.898 122.092 121.223 -0.047 0.000 2.013 402 L HA -0.081 4.259 4.340 0.001 0.000 0.212 402 L C 2.750 179.617 176.870 -0.005 0.000 1.073 402 L CA 2.676 57.506 54.840 -0.018 0.000 0.753 402 L CB -0.638 41.427 42.059 0.011 0.000 0.890 402 L HN 0.296 nan 8.230 nan 0.000 0.432 403 R N -0.213 120.243 120.500 -0.073 0.000 2.091 403 R HA -0.227 4.113 4.340 0.001 0.000 0.238 403 R C 2.458 178.737 176.300 -0.035 0.000 1.136 403 R CA 1.967 58.014 56.100 -0.087 0.000 0.959 403 R CB -0.288 29.748 30.300 -0.441 0.000 0.856 403 R HN 0.631 nan 8.270 nan 0.000 0.437 404 R N 0.149 120.614 120.500 -0.059 0.000 2.115 404 R HA -0.055 4.285 4.340 0.001 0.000 0.226 404 R C 2.212 178.504 176.300 -0.015 0.000 1.100 404 R CA 1.381 57.461 56.100 -0.033 0.000 0.980 404 R CB -0.422 29.855 30.300 -0.040 0.000 0.875 404 R HN 0.138 nan 8.270 nan 0.000 0.445 405 K N 1.577 121.968 120.400 -0.014 0.000 2.002 405 K HA -0.066 4.254 4.320 0.001 0.000 0.209 405 K C 1.869 178.470 176.600 0.001 0.000 1.048 405 K CA 1.423 57.704 56.287 -0.009 0.000 0.930 405 K CB -0.078 32.415 32.500 -0.013 0.000 0.714 405 K HN 0.264 nan 8.250 nan 0.000 0.438 406 L N 1.003 122.235 121.223 0.015 0.000 2.552 406 L HA -0.010 4.330 4.340 0.001 0.000 0.227 406 L C 0.215 177.100 176.870 0.025 0.000 1.146 406 L CA 0.340 55.194 54.840 0.024 0.000 0.858 406 L CB -0.381 41.707 42.059 0.048 0.000 0.969 406 L HN 0.338 nan 8.230 nan 0.000 0.451 407 Q N -0.276 119.537 119.800 0.020 0.000 2.443 407 Q HA -0.205 4.136 4.340 0.001 0.000 0.337 407 Q C -0.126 175.884 176.000 0.016 0.000 1.401 407 Q CA -0.021 55.789 55.803 0.011 0.000 0.943 407 Q CB -1.817 26.919 28.738 -0.003 0.000 1.177 407 Q HN 0.499 nan 8.270 nan 0.000 0.394 408 c N 0.700 119.341 118.600 0.068 0.000 2.700 408 c HA 0.228 4.799 4.570 0.001 0.000 0.397 408 c C 1.280 175.396 174.090 0.044 0.000 1.301 408 c CA -0.506 55.879 56.329 0.093 0.000 2.219 408 c CB 0.370 43.069 42.510 0.315 0.000 2.699 408 c HN 0.426 nan 8.230 nan 0.000 0.669 409 K N 1.671 122.037 120.400 -0.056 0.000 2.138 409 K HA 0.293 4.613 4.320 0.001 0.000 0.251 409 K C -2.363 174.322 176.600 0.141 0.000 1.015 409 K CA -0.701 55.531 56.287 -0.092 0.000 0.917 409 K CB 0.058 32.231 32.500 -0.545 0.000 1.021 409 K HN 0.399 nan 8.250 nan 0.000 0.485 410 P HA -0.062 nan 4.420 nan 0.000 0.269 410 P C -0.164 177.356 177.300 0.367 0.000 1.215 410 P CA 0.084 63.360 63.100 0.293 0.000 0.780 410 P CB 0.321 32.180 31.700 0.265 0.000 0.898 411 F N 1.643 121.720 119.950 0.213 0.000 2.269 411 F HA -0.230 4.297 4.527 0.001 0.000 0.301 411 F C 2.127 177.938 175.800 0.018 0.000 1.082 411 F CA 1.915 59.982 58.000 0.111 0.000 1.360 411 F CB -0.069 38.963 39.000 0.053 0.000 1.041 411 F HN 0.275 nan 8.300 nan 0.000 0.512 412 S N -0.768 114.995 115.700 0.104 0.000 2.383 412 S HA -0.289 4.182 4.470 0.001 0.000 0.227 412 S C 1.796 176.335 174.600 -0.100 0.000 1.026 412 S CA 0.856 59.010 58.200 -0.077 0.000 0.981 412 S CB -1.512 61.814 63.200 0.210 0.000 0.818 412 S HN 0.700 nan 8.310 nan 0.000 0.472 413 W N 1.711 122.970 121.300 -0.069 0.000 2.342 413 W HA -0.169 4.491 4.660 0.001 0.000 0.297 413 W C 2.135 178.583 176.519 -0.118 0.000 1.213 413 W CA 1.268 58.580 57.345 -0.055 0.000 1.251 413 W CB -0.599 28.874 29.460 0.022 0.000 1.136 413 W HN 0.382 nan 8.180 nan 0.000 0.526 414 Y N 0.284 120.441 120.300 -0.239 0.000 2.242 414 Y HA -0.182 4.368 4.550 0.001 0.000 0.291 414 Y C 1.976 177.448 175.900 -0.713 0.000 1.137 414 Y CA 1.857 59.632 58.100 -0.541 0.000 1.181 414 Y CB -0.756 37.442 38.460 -0.436 0.000 0.989 414 Y HN -0.115 nan 8.280 nan 0.000 0.527 415 L N 1.052 121.761 121.223 -0.858 0.000 2.056 415 L HA -0.162 4.178 4.340 0.001 0.000 0.207 415 L C 2.448 178.909 176.870 -0.682 0.000 1.078 415 L CA 2.302 56.621 54.840 -0.868 0.000 0.749 415 L CB -1.623 39.956 42.059 -0.801 0.000 0.901 415 L HN 0.557 nan 8.230 nan 0.000 0.433 416 E N -1.666 118.185 120.200 -0.580 0.000 2.216 416 E HA -0.112 4.239 4.350 0.001 0.000 0.192 416 E C 1.530 177.827 176.600 -0.504 0.000 0.988 416 E CA 0.828 56.953 56.400 -0.458 0.000 0.834 416 E CB -0.116 29.390 29.700 -0.324 0.000 0.772 416 E HN 0.477 nan 8.360 nan 0.000 0.479 417 N N 0.389 118.649 118.700 -0.734 0.000 2.436 417 N HA 0.050 4.791 4.740 0.001 0.000 0.178 417 N C 1.639 176.730 175.510 -0.698 0.000 1.026 417 N CA 0.637 53.236 53.050 -0.752 0.000 0.880 417 N CB 0.431 38.199 38.487 -1.198 0.000 1.061 417 N HN 0.184 nan 8.380 nan 0.000 0.434 418 I N -0.750 119.288 120.570 -0.887 0.000 3.265 418 I HA 0.006 4.177 4.170 0.001 0.000 0.282 418 I C 0.167 175.848 176.117 -0.728 0.000 1.207 418 I CA 0.648 61.400 61.300 -0.913 0.000 1.449 418 I CB -0.288 36.964 38.000 -1.246 0.000 1.121 418 I HN 0.027 nan 8.210 nan 0.000 0.442 419 Y N 2.688 122.438 120.300 -0.916 0.000 2.501 419 Y HA 0.421 4.972 4.550 0.001 0.000 0.331 419 Y C -2.034 173.526 175.900 -0.567 0.000 0.950 419 Y CA -3.416 54.257 58.100 -0.711 0.000 1.120 419 Y CB 0.158 38.097 38.460 -0.868 0.000 1.154 419 Y HN -0.031 nan 8.280 nan 0.000 0.630 420 P HA -0.146 nan 4.420 nan 0.000 0.217 420 P C 0.861 177.860 177.300 -0.502 0.000 1.148 420 P CA 1.937 64.806 63.100 -0.384 0.000 0.828 420 P CB 0.239 31.770 31.700 -0.282 0.000 0.783 421 D N -1.458 118.653 120.400 -0.482 0.000 2.370 421 D HA 0.027 4.667 4.640 0.001 0.000 0.230 421 D C 0.319 176.145 176.300 -0.790 0.000 1.143 421 D CA -0.077 53.460 54.000 -0.772 0.000 0.834 421 D CB -0.443 40.135 40.800 -0.369 0.000 0.944 421 D HN 0.001 nan 8.370 nan 0.000 0.504 422 S N 0.049 115.031 115.700 -1.197 0.000 2.572 422 S HA -0.074 4.396 4.470 0.001 0.000 0.267 422 S C 1.276 175.419 174.600 -0.762 0.000 1.361 422 S CA -0.087 57.066 58.200 -1.744 0.000 1.009 422 S CB 1.067 63.379 63.200 -1.481 0.000 0.888 422 S HN 0.101 nan 8.310 nan 0.000 0.553 423 Q N 1.265 120.654 119.800 -0.685 0.000 2.302 423 Q HA 0.266 4.607 4.340 0.001 0.000 0.202 423 Q C 0.178 176.184 176.000 0.009 0.000 0.936 423 Q CA 0.612 56.247 55.803 -0.281 0.000 0.886 423 Q CB -0.038 28.552 28.738 -0.248 0.000 0.986 423 Q HN 0.680 nan 8.270 nan 0.000 0.487 424 I N 4.676 125.129 120.570 -0.195 0.000 2.352 424 I HA 0.105 4.276 4.170 0.001 0.000 0.290 424 I C -2.081 173.822 176.117 -0.357 0.000 1.036 424 I CA -1.883 59.238 61.300 -0.299 0.000 1.336 424 I CB 1.340 39.101 38.000 -0.398 0.000 1.407 424 I HN -0.132 nan 8.210 nan 0.000 0.497 425 P HA 0.126 nan 4.420 nan 0.000 0.281 425 P C -0.045 177.255 177.300 -0.001 0.000 1.252 425 P CA -0.478 62.579 63.100 -0.071 0.000 0.778 425 P CB 1.337 33.126 31.700 0.148 0.000 0.895 426 R N 2.986 123.430 120.500 -0.094 0.000 2.092 426 R HA -0.045 4.296 4.340 0.001 0.000 0.231 426 R C 0.448 176.700 176.300 -0.079 0.000 1.119 426 R CA 1.562 57.572 56.100 -0.149 0.000 0.970 426 R CB -0.334 29.743 30.300 -0.372 0.000 0.864 426 R HN 0.574 nan 8.270 nan 0.000 0.440 427 H N -0.999 118.173 119.070 0.171 0.000 2.679 427 H HA 0.285 4.842 4.556 0.001 0.000 0.360 427 H C -1.271 174.173 175.328 0.193 0.000 1.105 427 H CA -0.666 55.443 56.048 0.102 0.000 1.196 427 H CB 1.450 31.233 29.762 0.036 0.000 1.636 427 H HN 0.128 nan 8.280 nan 0.000 0.531 428 Y N 0.033 120.501 120.300 0.280 0.000 2.544 428 Y HA 0.271 4.821 4.550 0.001 0.000 0.342 428 Y C -0.241 175.805 175.900 0.243 0.000 1.062 428 Y CA -1.284 56.961 58.100 0.242 0.000 1.023 428 Y CB 0.534 39.160 38.460 0.276 0.000 1.308 428 Y HN 0.407 nan 8.280 nan 0.000 0.457 429 F N 1.882 122.000 119.950 0.281 0.000 2.234 429 F HA 0.266 4.793 4.527 0.001 0.000 0.296 429 F C 0.303 176.284 175.800 0.302 0.000 1.089 429 F CA 1.085 59.236 58.000 0.250 0.000 1.343 429 F CB 0.206 39.435 39.000 0.381 0.000 1.040 429 F HN 0.640 nan 8.300 nan 0.000 0.498 430 S N -0.012 115.967 115.700 0.465 0.000 2.565 430 S HA 0.495 4.965 4.470 0.001 0.000 0.269 430 S C -1.419 173.354 174.600 0.289 0.000 1.153 430 S CA -0.879 57.495 58.200 0.291 0.000 0.835 430 S CB 1.778 65.091 63.200 0.188 0.000 1.122 430 S HN 0.186 nan 8.310 nan 0.000 0.462 431 L N 1.752 123.016 121.223 0.068 0.000 2.529 431 L HA 0.693 5.033 4.340 0.001 0.000 0.258 431 L C 0.009 176.824 176.870 -0.092 0.000 1.032 431 L CA 0.294 55.021 54.840 -0.187 0.000 0.899 431 L CB 0.408 42.044 42.059 -0.706 0.000 1.174 431 L HN 1.280 nan 8.230 nan 0.000 0.458 432 G N 3.566 112.379 108.800 0.022 0.000 2.498 432 G HA2 0.079 4.039 3.960 0.001 0.000 0.181 432 G HA3 0.079 4.039 3.960 0.001 0.000 0.181 432 G C -1.425 173.547 174.900 0.120 0.000 1.169 432 G CA -0.323 44.803 45.100 0.043 0.000 0.992 432 G HN 0.534 nan 8.290 nan 0.000 0.490 433 E N -0.462 119.794 120.200 0.095 0.000 2.319 433 E HA 0.637 4.987 4.350 0.001 0.000 0.268 433 E C -0.773 175.875 176.600 0.079 0.000 1.050 433 E CA -0.684 55.779 56.400 0.105 0.000 0.878 433 E CB 2.051 31.785 29.700 0.058 0.000 1.066 433 E HN 0.353 nan 8.360 nan 0.000 0.406 434 I N 2.344 122.939 120.570 0.041 0.000 2.464 434 I HA 0.257 4.428 4.170 0.001 0.000 0.277 434 I C -0.107 176.096 176.117 0.144 0.000 1.040 434 I CA -0.598 60.705 61.300 0.006 0.000 1.153 434 I CB 1.056 38.909 38.000 -0.245 0.000 1.274 434 I HN 0.474 nan 8.210 nan 0.000 0.469 435 R N 5.562 126.179 120.500 0.195 0.000 2.294 435 R HA 0.269 4.610 4.340 0.001 0.000 0.319 435 R C -0.237 176.138 176.300 0.125 0.000 0.984 435 R CA -0.572 55.626 56.100 0.164 0.000 0.861 435 R CB 1.060 31.401 30.300 0.068 0.000 1.104 435 R HN 0.538 nan 8.270 nan 0.000 0.451 436 N N 3.964 122.603 118.700 -0.101 0.000 2.475 436 N HA -0.049 4.692 4.740 0.001 0.000 0.267 436 N C 1.310 176.611 175.510 -0.350 0.000 1.169 436 N CA 0.075 52.731 53.050 -0.656 0.000 0.947 436 N CB 1.543 39.529 38.487 -0.835 0.000 1.061 436 N HN 0.588 nan 8.380 nan 0.000 0.466 437 V N 2.226 121.939 119.914 -0.334 0.000 2.626 437 V HA -0.105 4.015 4.120 0.001 0.000 0.252 437 V C 1.846 177.839 176.094 -0.168 0.000 1.067 437 V CA 1.754 63.946 62.300 -0.180 0.000 1.081 437 V CB -0.479 31.267 31.823 -0.129 0.000 0.686 437 V HN 0.754 nan 8.190 nan 0.000 0.468 438 E N 1.292 121.358 120.200 -0.223 0.000 2.051 438 E HA -0.155 4.195 4.350 0.001 0.000 0.189 438 E C 2.203 178.721 176.600 -0.136 0.000 0.979 438 E CA 1.654 57.956 56.400 -0.163 0.000 0.803 438 E CB -0.087 29.511 29.700 -0.171 0.000 0.761 438 E HN 0.824 nan 8.360 nan 0.000 0.451 439 T N -1.941 112.513 114.554 -0.166 0.000 3.065 439 T HA 0.076 4.426 4.350 0.001 0.000 0.252 439 T C 0.725 175.373 174.700 -0.086 0.000 1.099 439 T CA 0.236 62.267 62.100 -0.115 0.000 1.063 439 T CB 0.037 68.833 68.868 -0.120 0.000 0.948 439 T HN 0.139 nan 8.240 nan 0.000 0.506 440 N N 1.946 120.586 118.700 -0.099 0.000 2.725 440 N HA -0.138 4.602 4.740 0.001 0.000 0.249 440 N C -0.773 174.719 175.510 -0.031 0.000 1.103 440 N CA 0.707 53.723 53.050 -0.056 0.000 0.707 440 N CB -1.061 37.406 38.487 -0.033 0.000 1.043 440 N HN 0.736 nan 8.380 nan 0.000 0.553 441 Q N -0.509 119.267 119.800 -0.040 0.000 2.248 441 Q HA 0.607 4.947 4.340 0.001 0.000 0.263 441 Q C -0.407 175.618 176.000 0.041 0.000 1.007 441 Q CA -0.456 55.346 55.803 -0.000 0.000 0.877 441 Q CB 2.066 30.791 28.738 -0.022 0.000 1.315 441 Q HN 0.212 nan 8.270 nan 0.000 0.454 442 c N 1.498 120.128 118.600 0.048 0.000 2.493 442 c HA 0.505 5.076 4.570 0.001 0.000 0.326 442 c C 0.045 174.162 174.090 0.044 0.000 1.200 442 c CA -0.732 55.631 56.329 0.055 0.000 1.739 442 c CB 0.634 43.145 42.510 0.002 0.000 2.300 442 c HN 0.712 nan 8.230 nan 0.000 0.500 443 L N 3.837 125.025 121.223 -0.058 0.000 2.456 443 L HA 0.329 4.670 4.340 0.001 0.000 0.272 443 L C -0.165 176.752 176.870 0.079 0.000 1.189 443 L CA 0.783 55.502 54.840 -0.203 0.000 0.846 443 L CB 0.337 41.930 42.059 -0.776 0.000 1.111 443 L HN 0.767 nan 8.230 nan 0.000 0.475 444 D N 1.461 122.011 120.400 0.251 0.000 2.927 444 D HA 0.028 4.669 4.640 0.001 0.000 0.219 444 D C 0.090 176.611 176.300 0.369 0.000 1.248 444 D CA -0.852 53.417 54.000 0.448 0.000 0.861 444 D CB 0.584 41.573 40.800 0.314 0.000 1.677 444 D HN 0.600 nan 8.370 nan 0.000 0.511 445 N N 2.416 121.287 118.700 0.286 0.000 2.519 445 N HA -0.168 4.573 4.740 0.001 0.000 0.186 445 N C 0.436 176.012 175.510 0.109 0.000 1.062 445 N CA 0.060 53.197 53.050 0.145 0.000 0.910 445 N CB -0.277 38.186 38.487 -0.040 0.000 0.958 445 N HN 0.370 nan 8.380 nan 0.000 0.445 446 M N -0.873 118.802 119.600 0.126 0.000 2.612 446 M HA -0.312 4.168 4.480 0.001 0.000 0.194 446 M C 0.899 177.224 176.300 0.042 0.000 0.530 446 M CA 0.886 56.238 55.300 0.087 0.000 0.548 446 M CB -2.475 30.198 32.600 0.122 0.000 2.013 446 M HN 0.602 nan 8.290 nan 0.000 0.711 447 A N -1.697 121.138 122.820 0.026 0.000 3.132 447 A HA -0.277 4.044 4.320 0.001 0.000 0.266 447 A C 0.705 178.293 177.584 0.007 0.000 1.216 447 A CA 2.079 54.120 52.037 0.007 0.000 0.985 447 A CB -1.334 17.669 19.000 0.006 0.000 1.102 447 A HN 0.701 nan 8.150 nan 0.000 0.833 448 R N -0.102 120.410 120.500 0.019 0.000 2.774 448 R HA 0.462 4.803 4.340 0.001 0.000 0.269 448 R C 0.535 176.837 176.300 0.003 0.000 1.068 448 R CA 0.363 56.474 56.100 0.019 0.000 1.180 448 R CB 0.367 30.689 30.300 0.036 0.000 1.077 448 R HN 0.581 nan 8.270 nan 0.000 0.513 449 K N 1.018 121.421 120.400 0.005 0.000 2.267 449 K HA 0.108 4.428 4.320 0.001 0.000 0.236 449 K C -0.412 176.187 176.600 -0.002 0.000 1.030 449 K CA -0.839 55.447 56.287 -0.002 0.000 0.930 449 K CB 0.597 33.099 32.500 0.003 0.000 1.182 449 K HN 0.605 nan 8.250 nan 0.000 0.474 450 E N 0.557 120.754 120.200 -0.006 0.000 2.534 450 E HA -0.189 4.161 4.350 0.001 0.000 0.264 450 E C -0.727 175.878 176.600 0.009 0.000 0.981 450 E CA 0.588 56.986 56.400 -0.003 0.000 0.948 450 E CB -0.207 29.495 29.700 0.002 0.000 0.934 450 E HN 0.706 nan 8.360 nan 0.000 0.459 451 N N -0.038 118.670 118.700 0.012 0.000 2.984 451 N HA -0.156 4.584 4.740 0.001 0.000 0.227 451 N C -0.919 174.604 175.510 0.021 0.000 0.903 451 N CA 1.045 54.106 53.050 0.019 0.000 0.995 451 N CB -0.544 37.954 38.487 0.019 0.000 1.065 451 N HN 0.580 nan 8.380 nan 0.000 0.585 452 E N 1.475 121.687 120.200 0.021 0.000 2.283 452 E HA 0.276 4.627 4.350 0.001 0.000 0.267 452 E C 0.135 176.754 176.600 0.032 0.000 1.045 452 E CA -0.274 56.142 56.400 0.027 0.000 0.884 452 E CB 0.792 30.508 29.700 0.028 0.000 1.106 452 E HN 0.126 nan 8.360 nan 0.000 0.408 453 K N 0.601 121.022 120.400 0.036 0.000 2.412 453 K HA 0.133 4.454 4.320 0.001 0.000 0.281 453 K C -0.016 176.613 176.600 0.049 0.000 1.027 453 K CA -0.216 56.093 56.287 0.036 0.000 0.989 453 K CB 0.951 33.471 32.500 0.034 0.000 0.935 453 K HN 0.165 nan 8.250 nan 0.000 0.475 454 V N 3.163 123.099 119.914 0.037 0.000 2.583 454 V HA 0.310 4.430 4.120 0.001 0.000 0.287 454 V C 0.472 176.590 176.094 0.041 0.000 1.051 454 V CA 0.089 62.424 62.300 0.057 0.000 1.010 454 V CB 1.019 32.852 31.823 0.016 0.000 0.988 454 V HN 0.897 nan 8.190 nan 0.000 0.478 455 G N 5.193 114.055 108.800 0.103 0.000 2.531 455 G HA2 0.660 4.621 3.960 0.001 0.000 0.313 455 G HA3 0.660 4.621 3.960 0.001 0.000 0.313 455 G C -1.053 173.835 174.900 -0.021 0.000 1.238 455 G CA -0.638 44.509 45.100 0.079 0.000 0.994 455 G HN 0.888 nan 8.290 nan 0.000 0.493 456 I N -0.864 119.523 120.570 -0.305 0.000 2.607 456 I HA 0.708 4.878 4.170 0.001 0.000 0.290 456 I C -1.713 173.961 176.117 -0.738 0.000 1.129 456 I CA -0.840 60.284 61.300 -0.293 0.000 1.042 456 I CB 1.527 39.418 38.000 -0.183 0.000 1.242 456 I HN 0.360 nan 8.210 nan 0.000 0.421 457 F N 5.036 125.006 119.950 0.033 0.000 2.668 457 F HA 0.310 4.837 4.527 0.001 0.000 0.309 457 F C 0.060 175.866 175.800 0.009 0.000 1.117 457 F CA -0.789 57.228 58.000 0.028 0.000 0.951 457 F CB 1.246 40.272 39.000 0.044 0.000 1.323 457 F HN 0.396 nan 8.300 nan 0.000 0.451 458 N N 1.478 120.304 118.700 0.210 0.000 2.294 458 N HA -0.075 4.665 4.740 0.001 0.000 0.263 458 N C -0.694 174.852 175.510 0.061 0.000 1.281 458 N CA 0.215 53.328 53.050 0.106 0.000 0.846 458 N CB 0.506 39.055 38.487 0.103 0.000 1.061 458 N HN 0.631 nan 8.380 nan 0.000 0.478 459 c N 4.583 123.184 118.600 0.001 0.000 2.662 459 c HA -0.001 4.569 4.570 0.001 0.000 0.402 459 c C 1.527 175.587 174.090 -0.051 0.000 1.397 459 c CA -0.492 55.785 56.329 -0.087 0.000 1.575 459 c CB -1.982 40.503 42.510 -0.042 0.000 2.406 459 c HN 0.798 nan 8.230 nan 0.000 0.609 460 H N 0.316 119.426 119.070 0.068 0.000 2.548 460 H HA 0.275 4.831 4.556 0.001 0.000 0.265 460 H C 1.640 176.990 175.328 0.036 0.000 0.969 460 H CA 0.152 56.227 56.048 0.046 0.000 1.155 460 H CB -0.549 29.236 29.762 0.039 0.000 1.394 460 H HN 0.864 nan 8.280 nan 0.000 0.570 461 G N 0.806 109.698 108.800 0.153 0.000 2.233 461 G HA2 -0.351 3.610 3.960 0.001 0.000 0.270 461 G HA3 -0.351 3.610 3.960 0.001 0.000 0.270 461 G C 0.543 175.586 174.900 0.238 0.000 1.011 461 G CA 0.773 45.966 45.100 0.155 0.000 0.762 461 G HN 0.542 nan 8.290 nan 0.000 0.511 462 M N 0.397 120.304 119.600 0.512 0.000 2.771 462 M HA 0.405 4.885 4.480 0.001 0.000 0.341 462 M C 1.581 177.991 176.300 0.183 0.000 1.226 462 M CA 0.312 55.730 55.300 0.196 0.000 0.955 462 M CB 0.402 32.964 32.600 -0.063 0.000 1.318 462 M HN 0.949 nan 8.290 nan 0.000 0.514 463 G N 1.186 110.126 108.800 0.234 0.000 2.582 463 G HA2 -0.146 3.815 3.960 0.001 0.000 0.288 463 G HA3 -0.146 3.815 3.960 0.001 0.000 0.288 463 G C 0.538 175.556 174.900 0.195 0.000 1.247 463 G CA 0.078 45.272 45.100 0.158 0.000 0.972 463 G HN 0.891 nan 8.290 nan 0.000 0.557 464 G N -0.420 108.435 108.800 0.092 0.000 2.596 464 G HA2 -0.410 3.551 3.960 0.001 0.000 0.304 464 G HA3 -0.410 3.551 3.960 0.001 0.000 0.304 464 G C 1.085 176.027 174.900 0.070 0.000 1.189 464 G CA 1.288 46.430 45.100 0.070 0.000 0.986 464 G HN 1.699 nan 8.290 nan 0.000 0.548 465 N N 1.201 119.957 118.700 0.094 0.000 2.550 465 N HA 0.002 4.742 4.740 0.001 0.000 0.186 465 N C 1.705 177.283 175.510 0.113 0.000 1.110 465 N CA 0.732 53.820 53.050 0.064 0.000 0.912 465 N CB 0.006 38.547 38.487 0.089 0.000 0.968 465 N HN 0.569 nan 8.380 nan 0.000 0.448 466 Q N 0.669 120.578 119.800 0.182 0.000 2.204 466 Q HA 0.157 4.498 4.340 0.001 0.000 0.209 466 Q C -0.562 175.584 176.000 0.243 0.000 0.861 466 Q CA -0.004 55.930 55.803 0.219 0.000 0.971 466 Q CB 1.011 29.753 28.738 0.007 0.000 1.095 466 Q HN 0.092 nan 8.270 nan 0.000 0.486 467 V N 1.337 121.305 119.914 0.089 0.000 2.407 467 V HA 0.382 4.503 4.120 0.001 0.000 0.278 467 V C -0.467 175.556 176.094 -0.117 0.000 1.037 467 V CA 0.025 62.370 62.300 0.075 0.000 0.900 467 V CB 0.479 32.344 31.823 0.070 0.000 0.983 467 V HN 0.093 nan 8.190 nan 0.000 0.459 468 F N 1.891 121.898 119.950 0.095 0.000 2.626 468 F HA 0.633 5.160 4.527 0.001 0.000 0.311 468 F C 0.113 176.008 175.800 0.159 0.000 1.088 468 F CA -0.543 57.514 58.000 0.094 0.000 0.949 468 F CB 2.393 41.384 39.000 -0.015 0.000 1.322 468 F HN 0.359 nan 8.300 nan 0.000 0.461 469 S N 1.145 117.086 115.700 0.402 0.000 2.594 469 S HA 0.414 4.885 4.470 0.001 0.000 0.296 469 S C -1.976 172.832 174.600 0.346 0.000 1.124 469 S CA -0.376 58.039 58.200 0.359 0.000 1.011 469 S CB 0.585 64.046 63.200 0.435 0.000 1.016 469 S HN 0.496 nan 8.310 nan 0.000 0.485 470 Y N 5.301 125.737 120.300 0.226 0.000 2.518 470 Y HA 0.408 4.958 4.550 0.001 0.000 0.344 470 Y C 0.693 176.766 175.900 0.289 0.000 0.982 470 Y CA -0.611 57.594 58.100 0.175 0.000 1.234 470 Y CB 0.216 38.740 38.460 0.107 0.000 1.114 470 Y HN 0.718 nan 8.280 nan 0.000 0.515 471 T N 1.264 115.765 114.554 -0.087 0.000 2.816 471 T HA 0.460 4.810 4.350 0.001 0.000 0.282 471 T C 1.437 176.065 174.700 -0.121 0.000 0.993 471 T CA -0.221 61.893 62.100 0.024 0.000 0.994 471 T CB 1.395 70.311 68.868 0.079 0.000 1.025 471 T HN 0.709 nan 8.240 nan 0.000 0.529 472 A N 1.298 124.151 122.820 0.055 0.000 2.024 472 A HA -0.101 4.219 4.320 0.001 0.000 0.220 472 A C 2.040 179.607 177.584 -0.029 0.000 1.164 472 A CA 1.228 53.287 52.037 0.036 0.000 0.643 472 A CB -0.924 18.147 19.000 0.119 0.000 0.806 472 A HN 0.857 nan 8.150 nan 0.000 0.451 473 N N 0.438 119.123 118.700 -0.024 0.000 2.421 473 N HA -0.013 4.728 4.740 0.001 0.000 0.201 473 N C -0.404 175.073 175.510 -0.056 0.000 1.198 473 N CA 0.459 53.503 53.050 -0.010 0.000 0.838 473 N CB 0.049 38.567 38.487 0.051 0.000 1.011 473 N HN 0.374 nan 8.380 nan 0.000 0.463 474 K N 0.241 120.518 120.400 -0.205 0.000 3.088 474 K HA -0.208 4.113 4.320 0.001 0.000 0.273 474 K C -0.041 176.540 176.600 -0.032 0.000 1.111 474 K CA 0.799 56.935 56.287 -0.252 0.000 0.803 474 K CB -2.152 30.371 32.500 0.039 0.000 1.226 474 K HN 0.659 nan 8.250 nan 0.000 0.485 475 E N 0.422 120.571 120.200 -0.085 0.000 2.202 475 E HA 0.524 4.874 4.350 0.001 0.000 0.272 475 E C -0.275 176.380 176.600 0.091 0.000 0.951 475 E CA -0.939 55.520 56.400 0.098 0.000 0.813 475 E CB 1.348 31.061 29.700 0.020 0.000 1.151 475 E HN 0.161 nan 8.360 nan 0.000 0.398 476 I N 3.752 124.365 120.570 0.071 0.000 2.282 476 I HA 0.233 4.403 4.170 0.001 0.000 0.290 476 I C 0.311 176.454 176.117 0.042 0.000 1.090 476 I CA -0.519 60.777 61.300 -0.006 0.000 1.231 476 I CB 0.096 37.834 38.000 -0.436 0.000 1.434 476 I HN 0.479 nan 8.210 nan 0.000 0.487 477 R N 3.323 123.893 120.500 0.116 0.000 2.873 477 R HA 0.743 5.083 4.340 0.001 0.000 0.264 477 R C -0.780 175.470 176.300 -0.083 0.000 1.026 477 R CA -0.705 55.406 56.100 0.018 0.000 1.002 477 R CB 2.180 32.447 30.300 -0.055 0.000 1.174 477 R HN 0.292 nan 8.270 nan 0.000 0.488 478 T N 0.884 115.188 114.554 -0.417 0.000 2.985 478 T HA 0.189 4.539 4.350 0.001 0.000 0.315 478 T C -0.209 173.889 174.700 -1.003 0.000 1.001 478 T CA -0.050 61.557 62.100 -0.822 0.000 1.016 478 T CB 0.554 68.819 68.868 -1.005 0.000 0.993 478 T HN 0.873 nan 8.240 nan 0.000 0.454 479 D N 3.586 122.776 120.400 -2.016 0.000 4.438 479 D HA -0.200 4.440 4.640 0.001 0.000 0.158 479 D C 0.515 176.176 176.300 -1.066 0.000 0.686 479 D CA 2.508 55.319 54.000 -1.981 0.000 1.183 479 D CB -1.009 39.281 40.800 -0.850 0.000 0.623 479 D HN 0.726 nan 8.370 nan 0.000 0.521 480 D N 0.431 120.504 120.400 -0.546 0.000 2.469 480 D HA 0.192 4.832 4.640 0.001 0.000 0.215 480 D C 0.471 176.629 176.300 -0.237 0.000 1.154 480 D CA -0.196 53.621 54.000 -0.305 0.000 0.832 480 D CB 0.030 40.758 40.800 -0.120 0.000 1.008 480 D HN 0.205 nan 8.370 nan 0.000 0.506 481 L N 0.659 121.722 121.223 -0.266 0.000 2.344 481 L HA 0.462 4.803 4.340 0.001 0.000 0.272 481 L C -0.207 176.563 176.870 -0.167 0.000 1.035 481 L CA -0.808 53.926 54.840 -0.176 0.000 0.807 481 L CB 1.901 43.875 42.059 -0.141 0.000 1.237 481 L HN 0.062 nan 8.230 nan 0.000 0.442 482 c N 1.918 120.453 118.600 -0.108 0.000 2.698 482 c HA 0.524 5.094 4.570 0.001 0.000 0.309 482 c C -0.424 173.676 174.090 0.016 0.000 1.186 482 c CA -1.026 55.265 56.329 -0.063 0.000 1.474 482 c CB 1.698 44.138 42.510 -0.117 0.000 2.020 482 c HN 0.473 nan 8.230 nan 0.000 0.474 483 L N 3.600 124.849 121.223 0.044 0.000 2.462 483 L HA 0.287 4.627 4.340 0.001 0.000 0.272 483 L C 0.317 177.411 176.870 0.374 0.000 1.166 483 L CA 1.198 56.096 54.840 0.097 0.000 0.880 483 L CB -0.228 41.696 42.059 -0.224 0.000 1.142 483 L HN 0.620 nan 8.230 nan 0.000 0.473 484 D N 2.928 123.480 120.400 0.253 0.000 2.649 484 D HA 0.464 5.105 4.640 0.001 0.000 0.249 484 D C -1.427 174.912 176.300 0.065 0.000 1.112 484 D CA -0.264 53.857 54.000 0.202 0.000 0.850 484 D CB 2.451 43.324 40.800 0.121 0.000 1.399 484 D HN 0.161 nan 8.370 nan 0.000 0.503 485 V N 2.246 122.081 119.914 -0.131 0.000 2.656 485 V HA 0.331 4.452 4.120 0.001 0.000 0.307 485 V C 0.489 176.511 176.094 -0.120 0.000 1.051 485 V CA -0.386 61.713 62.300 -0.334 0.000 0.893 485 V CB 2.085 33.297 31.823 -1.019 0.000 0.999 485 V HN 0.689 nan 8.190 nan 0.000 0.426 486 S N 2.768 118.437 115.700 -0.052 0.000 2.733 486 S HA 0.258 4.728 4.470 0.001 0.000 0.247 486 S C 0.044 174.647 174.600 0.005 0.000 1.043 486 S CA -0.459 57.747 58.200 0.010 0.000 1.066 486 S CB 0.182 63.392 63.200 0.016 0.000 1.045 486 S HN 0.842 nan 8.310 nan 0.000 0.586 487 K N 0.829 121.219 120.400 -0.016 0.000 2.551 487 K HA 0.505 4.825 4.320 0.001 0.000 0.269 487 K C -1.286 175.305 176.600 -0.014 0.000 0.949 487 K CA -0.918 55.365 56.287 -0.007 0.000 0.849 487 K CB 0.727 33.224 32.500 -0.005 0.000 1.411 487 K HN -0.047 nan 8.250 nan 0.000 0.432 488 L N 2.977 124.199 121.223 -0.003 0.000 2.525 488 L HA -0.007 4.334 4.340 0.001 0.000 0.278 488 L C -0.001 176.867 176.870 -0.004 0.000 1.218 488 L CA 0.376 55.215 54.840 -0.001 0.000 0.878 488 L CB -0.506 41.555 42.059 0.003 0.000 1.127 488 L HN 0.981 nan 8.230 nan 0.000 0.492 489 N N -0.119 118.580 118.700 -0.002 0.000 2.857 489 N HA -0.181 4.559 4.740 0.001 0.000 0.242 489 N C 0.675 176.184 175.510 -0.002 0.000 0.983 489 N CA 1.129 54.181 53.050 0.004 0.000 0.934 489 N CB -1.093 37.398 38.487 0.008 0.000 1.115 489 N HN 0.907 nan 8.380 nan 0.000 0.593 490 G N 0.699 109.490 108.800 -0.014 0.000 2.750 490 G HA2 0.299 4.260 3.960 0.001 0.000 0.250 490 G HA3 0.299 4.260 3.960 0.001 0.000 0.250 490 G C -2.035 172.857 174.900 -0.013 0.000 1.230 490 G CA -0.430 44.661 45.100 -0.015 0.000 0.883 490 G HN 0.139 nan 8.290 nan 0.000 0.573 491 P HA 0.200 nan 4.420 nan 0.000 0.279 491 P C -0.234 177.067 177.300 0.001 0.000 1.239 491 P CA -0.216 62.885 63.100 0.001 0.000 0.789 491 P CB 1.626 33.330 31.700 0.007 0.000 0.933 492 V N 3.498 123.420 119.914 0.014 0.000 2.353 492 V HA 0.375 4.496 4.120 0.001 0.000 0.264 492 V C 0.050 176.159 176.094 0.026 0.000 1.049 492 V CA 0.092 62.414 62.300 0.038 0.000 0.896 492 V CB -0.028 31.838 31.823 0.071 0.000 1.025 492 V HN 0.803 nan 8.190 nan 0.000 0.475 493 T N 4.268 118.844 114.554 0.037 0.000 2.948 493 T HA 0.663 5.014 4.350 0.001 0.000 0.285 493 T C -0.168 174.556 174.700 0.040 0.000 1.019 493 T CA -0.983 61.137 62.100 0.033 0.000 1.013 493 T CB 1.641 70.527 68.868 0.029 0.000 1.117 493 T HN 0.649 nan 8.240 nan 0.000 0.533 494 M N 2.501 122.119 119.600 0.030 0.000 2.080 494 M HA 0.385 4.866 4.480 0.001 0.000 0.350 494 M C -1.369 174.934 176.300 0.004 0.000 1.143 494 M CA -0.734 54.577 55.300 0.018 0.000 1.064 494 M CB 0.587 33.196 32.600 0.014 0.000 1.429 494 M HN 0.350 nan 8.290 nan 0.000 0.418 495 L N 3.074 124.297 121.223 0.001 0.000 2.334 495 L HA 0.490 4.830 4.340 0.001 0.000 0.270 495 L C 0.445 177.290 176.870 -0.042 0.000 1.018 495 L CA -0.609 54.228 54.840 -0.004 0.000 0.811 495 L CB 1.066 43.139 42.059 0.024 0.000 1.271 495 L HN 0.435 nan 8.230 nan 0.000 0.443 496 K N 0.605 120.992 120.400 -0.022 0.000 2.511 496 K HA 0.001 4.321 4.320 0.001 0.000 0.280 496 K C -0.770 175.768 176.600 -0.103 0.000 1.008 496 K CA 0.125 56.392 56.287 -0.033 0.000 1.050 496 K CB 0.031 32.548 32.500 0.029 0.000 0.889 496 K HN 0.586 nan 8.250 nan 0.000 0.484 497 c N 5.152 123.642 118.600 -0.184 0.000 2.619 497 c HA 0.090 4.661 4.570 0.001 0.000 0.389 497 c C 0.471 174.368 174.090 -0.321 0.000 1.314 497 c CA -0.737 55.386 56.329 -0.344 0.000 1.678 497 c CB -1.875 40.391 42.510 -0.407 0.000 2.398 497 c HN 0.688 nan 8.230 nan 0.000 0.582 498 H N 0.266 119.251 119.070 -0.141 0.000 2.467 498 H HA 0.315 4.872 4.556 0.001 0.000 0.331 498 H C 0.469 175.707 175.328 -0.150 0.000 1.120 498 H CA -0.749 55.248 56.048 -0.086 0.000 1.270 498 H CB 0.254 30.002 29.762 -0.024 0.000 1.466 498 H HN 0.620 nan 8.280 nan 0.000 0.504 499 H N 3.490 122.638 119.070 0.129 0.000 2.749 499 H HA 0.052 4.609 4.556 0.001 0.000 0.306 499 H C 0.130 175.547 175.328 0.150 0.000 1.091 499 H CA 0.096 56.188 56.048 0.073 0.000 1.180 499 H CB 0.277 30.030 29.762 -0.015 0.000 1.349 499 H HN 0.440 nan 8.280 nan 0.000 0.570 500 L N -0.030 121.452 121.223 0.433 0.000 2.818 500 L HA 0.136 4.477 4.340 0.001 0.000 0.243 500 L C 1.183 178.162 176.870 0.183 0.000 1.185 500 L CA 0.127 55.084 54.840 0.195 0.000 0.988 500 L CB -0.603 41.426 42.059 -0.050 0.000 1.292 500 L HN 0.176 nan 8.230 nan 0.000 0.519 501 K N 0.205 120.756 120.400 0.252 0.000 2.081 501 K HA -0.340 3.980 4.320 0.001 0.000 0.150 501 K C 1.314 178.028 176.600 0.190 0.000 0.905 501 K CA 1.439 57.825 56.287 0.165 0.000 0.333 501 K CB -1.633 30.910 32.500 0.071 0.000 0.733 501 K HN 0.331 nan 8.250 nan 0.000 0.766 502 G N 0.947 109.779 108.800 0.053 0.000 2.672 502 G HA2 -0.423 3.537 3.960 0.001 0.000 0.332 502 G HA3 -0.423 3.537 3.960 0.001 0.000 0.332 502 G C 0.488 175.371 174.900 -0.029 0.000 1.213 502 G CA 1.039 46.139 45.100 -0.000 0.000 0.980 502 G HN 0.555 nan 8.290 nan 0.000 0.548 503 N N 1.562 120.306 118.700 0.074 0.000 2.521 503 N HA 0.037 4.777 4.740 0.001 0.000 0.188 503 N C 1.848 177.500 175.510 0.236 0.000 1.146 503 N CA 0.995 54.132 53.050 0.144 0.000 0.893 503 N CB 0.305 38.899 38.487 0.178 0.000 0.975 503 N HN 0.719 nan 8.380 nan 0.000 0.451 504 Q N 0.138 120.044 119.800 0.176 0.000 2.175 504 Q HA 0.186 4.526 4.340 0.001 0.000 0.225 504 Q C -0.655 175.476 176.000 0.219 0.000 0.837 504 Q CA -0.285 55.647 55.803 0.215 0.000 1.032 504 Q CB 0.718 29.470 28.738 0.023 0.000 1.137 504 Q HN 0.072 nan 8.270 nan 0.000 0.483 505 L N 0.664 121.884 121.223 -0.004 0.000 2.264 505 L HA 0.438 4.778 4.340 0.001 0.000 0.289 505 L C -1.672 175.107 176.870 -0.151 0.000 1.044 505 L CA -0.108 54.727 54.840 -0.009 0.000 0.807 505 L CB 0.398 42.404 42.059 -0.089 0.000 1.192 505 L HN 0.013 nan 8.230 nan 0.000 0.425 506 W N 3.804 125.175 121.300 0.117 0.000 2.839 506 W HA 0.513 5.173 4.660 0.001 0.000 0.334 506 W C -0.548 176.100 176.519 0.215 0.000 1.064 506 W CA -0.630 56.807 57.345 0.153 0.000 1.236 506 W CB 1.451 31.020 29.460 0.183 0.000 1.405 506 W HN 0.434 nan 8.180 nan 0.000 0.478 507 E N 2.788 123.169 120.200 0.302 0.000 2.134 507 E HA 0.271 4.622 4.350 0.001 0.000 0.278 507 E C -1.853 174.852 176.600 0.175 0.000 0.959 507 E CA -0.845 55.694 56.400 0.231 0.000 0.783 507 E CB 0.701 30.462 29.700 0.102 0.000 1.095 507 E HN 0.420 nan 8.360 nan 0.000 0.399 508 Y N 3.434 123.681 120.300 -0.088 0.000 2.342 508 Y HA 0.368 4.918 4.550 0.001 0.000 0.334 508 Y C -0.663 175.125 175.900 -0.186 0.000 1.067 508 Y CA -0.861 57.061 58.100 -0.298 0.000 1.128 508 Y CB 1.292 39.275 38.460 -0.795 0.000 1.200 508 Y HN 0.448 nan 8.280 nan 0.000 0.464 509 D N 8.511 128.466 120.400 -0.741 0.000 2.472 509 D HA 0.218 4.858 4.640 0.001 0.000 0.234 509 D C -1.962 173.789 176.300 -0.914 0.000 1.088 509 D CA -2.439 51.210 54.000 -0.586 0.000 0.882 509 D CB 1.765 42.388 40.800 -0.295 0.000 1.037 509 D HN 0.380 nan 8.370 nan 0.000 0.520 510 P HA -0.126 nan 4.420 nan 0.000 0.223 510 P C 1.289 178.500 177.300 -0.148 0.000 1.144 510 P CA 0.440 63.328 63.100 -0.353 0.000 0.783 510 P CB 0.858 32.566 31.700 0.014 0.000 0.771 511 V N 0.787 120.604 119.914 -0.161 0.000 2.403 511 V HA -0.023 4.097 4.120 0.001 0.000 0.239 511 V C 2.406 178.445 176.094 -0.092 0.000 1.041 511 V CA 1.527 63.780 62.300 -0.079 0.000 1.051 511 V CB -0.779 31.011 31.823 -0.056 0.000 0.704 511 V HN 0.043 nan 8.190 nan 0.000 0.472 512 K N 0.101 120.424 120.400 -0.127 0.000 2.432 512 K HA 0.165 4.485 4.320 0.001 0.000 0.196 512 K C 0.659 177.198 176.600 -0.101 0.000 1.038 512 K CA 0.366 56.595 56.287 -0.097 0.000 0.986 512 K CB 0.051 32.501 32.500 -0.084 0.000 0.782 512 K HN 0.314 nan 8.250 nan 0.000 0.485 513 L N 0.788 121.894 121.223 -0.196 0.000 4.496 513 L HA -0.235 4.106 4.340 0.001 0.000 0.419 513 L C 0.415 177.313 176.870 0.046 0.000 1.139 513 L CA 0.786 55.565 54.840 -0.102 0.000 0.975 513 L CB -2.783 39.303 42.059 0.045 0.000 2.099 513 L HN 0.335 nan 8.230 nan 0.000 0.818 514 T N -1.542 112.979 114.554 -0.055 0.000 2.874 514 T HA 0.692 5.042 4.350 0.001 0.000 0.281 514 T C -0.043 174.767 174.700 0.183 0.000 0.994 514 T CA -0.695 61.478 62.100 0.121 0.000 1.015 514 T CB 2.548 71.454 68.868 0.063 0.000 1.028 514 T HN 0.210 nan 8.240 nan 0.000 0.523 515 L N 2.161 123.540 121.223 0.260 0.000 2.514 515 L HA 0.322 4.662 4.340 0.001 0.000 0.257 515 L C -0.146 176.907 176.870 0.305 0.000 1.101 515 L CA -0.752 54.226 54.840 0.230 0.000 0.911 515 L CB 1.320 43.376 42.059 -0.005 0.000 1.162 515 L HN 0.858 nan 8.230 nan 0.000 0.477 516 Q N 1.525 121.473 119.800 0.245 0.000 2.230 516 Q HA 0.338 4.679 4.340 0.001 0.000 0.253 516 Q C -0.568 175.493 176.000 0.102 0.000 0.919 516 Q CA -0.638 55.275 55.803 0.184 0.000 0.908 516 Q CB 1.944 30.730 28.738 0.079 0.000 1.245 516 Q HN 0.438 nan 8.270 nan 0.000 0.437 517 H N 3.631 122.548 119.070 -0.254 0.000 2.742 517 H HA 0.101 4.658 4.556 0.001 0.000 0.302 517 H C 0.462 175.561 175.328 -0.381 0.000 1.069 517 H CA -0.377 55.210 56.048 -0.767 0.000 1.446 517 H CB 1.202 30.367 29.762 -0.995 0.000 1.462 517 H HN 0.717 nan 8.280 nan 0.000 0.499 518 V N 5.174 124.710 119.914 -0.630 0.000 2.255 518 V HA -0.336 3.785 4.120 0.001 0.000 0.247 518 V C 2.111 177.973 176.094 -0.388 0.000 1.051 518 V CA 1.876 63.940 62.300 -0.394 0.000 1.018 518 V CB -0.450 31.202 31.823 -0.284 0.000 0.641 518 V HN 0.747 nan 8.190 nan 0.000 0.445 519 N N 0.875 119.238 118.700 -0.562 0.000 2.007 519 N HA -0.099 4.642 4.740 0.001 0.000 0.197 519 N C 1.224 176.645 175.510 -0.148 0.000 1.050 519 N CA 1.532 54.402 53.050 -0.300 0.000 0.856 519 N CB -0.608 37.730 38.487 -0.247 0.000 1.050 519 N HN 0.674 nan 8.380 nan 0.000 0.423 520 S N 0.011 115.688 115.700 -0.039 0.000 2.593 520 S HA 0.138 4.608 4.470 0.001 0.000 0.269 520 S C 0.399 174.984 174.600 -0.024 0.000 1.334 520 S CA -0.623 57.603 58.200 0.044 0.000 1.015 520 S CB 1.114 64.398 63.200 0.140 0.000 0.912 520 S HN 0.286 nan 8.310 nan 0.000 0.541 521 N N 0.881 119.571 118.700 -0.017 0.000 2.546 521 N HA 0.192 4.932 4.740 0.001 0.000 0.286 521 N C -0.436 175.073 175.510 -0.001 0.000 1.259 521 N CA -0.310 52.722 53.050 -0.029 0.000 0.939 521 N CB 0.059 38.529 38.487 -0.027 0.000 1.243 521 N HN 0.641 nan 8.380 nan 0.000 0.511 522 Q N -0.703 119.108 119.800 0.018 0.000 2.252 522 Q HA 0.531 4.871 4.340 0.001 0.000 0.256 522 Q C -0.588 175.458 176.000 0.078 0.000 1.020 522 Q CA -0.905 54.924 55.803 0.043 0.000 0.913 522 Q CB 1.659 30.423 28.738 0.044 0.000 1.286 522 Q HN 0.195 nan 8.270 nan 0.000 0.480 523 c N 0.423 119.090 118.600 0.111 0.000 2.531 523 c HA 0.645 5.215 4.570 0.001 0.000 0.369 523 c C -0.689 173.542 174.090 0.235 0.000 1.258 523 c CA -0.581 55.855 56.329 0.177 0.000 1.876 523 c CB 1.049 43.654 42.510 0.159 0.000 2.256 523 c HN 0.667 nan 8.230 nan 0.000 0.510 524 L N 2.851 124.266 121.223 0.320 0.000 2.307 524 L HA 0.630 4.971 4.340 0.001 0.000 0.284 524 L C -0.542 176.680 176.870 0.587 0.000 1.023 524 L CA 0.528 55.568 54.840 0.332 0.000 0.810 524 L CB 0.794 42.886 42.059 0.055 0.000 1.231 524 L HN 0.891 nan 8.230 nan 0.000 0.423 525 D N 2.359 123.036 120.400 0.460 0.000 2.812 525 D HA 0.301 4.942 4.640 0.001 0.000 0.318 525 D C -1.025 175.435 176.300 0.268 0.000 1.234 525 D CA -0.843 53.374 54.000 0.362 0.000 0.989 525 D CB 0.590 41.465 40.800 0.124 0.000 1.442 525 D HN 0.492 nan 8.370 nan 0.000 0.537 526 K N -0.397 120.023 120.400 0.034 0.000 2.339 526 K HA 0.419 4.740 4.320 0.001 0.000 0.260 526 K C 0.210 176.828 176.600 0.030 0.000 0.989 526 K CA -0.472 55.814 56.287 -0.001 0.000 0.888 526 K CB 0.030 32.480 32.500 -0.083 0.000 0.983 526 K HN 0.487 nan 8.250 nan 0.000 0.515 527 A N 1.161 123.978 122.820 -0.006 0.000 2.386 527 A HA 0.168 4.489 4.320 0.001 0.000 0.248 527 A C 0.389 177.963 177.584 -0.017 0.000 1.082 527 A CA -0.042 51.983 52.037 -0.019 0.000 0.789 527 A CB 0.635 19.596 19.000 -0.065 0.000 1.025 527 A HN 0.807 nan 8.150 nan 0.000 0.490 528 T N 0.035 114.584 114.554 -0.009 0.000 2.852 528 T HA 0.392 4.742 4.350 0.001 0.000 0.281 528 T C 0.154 174.848 174.700 -0.010 0.000 0.993 528 T CA -0.537 61.560 62.100 -0.006 0.000 0.933 528 T CB 0.241 69.110 68.868 0.002 0.000 1.187 528 T HN 0.646 nan 8.240 nan 0.000 0.559 529 E N 0.876 121.073 120.200 -0.006 0.000 2.314 529 E HA 0.239 4.590 4.350 0.001 0.000 0.262 529 E C 0.711 177.311 176.600 0.000 0.000 1.093 529 E CA -0.389 56.009 56.400 -0.004 0.000 0.908 529 E CB 0.864 30.563 29.700 -0.002 0.000 1.091 529 E HN 0.848 nan 8.360 nan 0.000 0.425 530 E N -0.066 120.136 120.200 0.004 0.000 4.562 530 E HA -0.199 4.151 4.350 0.001 0.000 0.293 530 E C -0.704 175.902 176.600 0.009 0.000 0.724 530 E CA 1.472 57.877 56.400 0.008 0.000 1.636 530 E CB -0.533 29.171 29.700 0.007 0.000 1.797 530 E HN 0.545 nan 8.360 nan 0.000 0.420 531 D N 0.047 120.449 120.400 0.003 0.000 2.963 531 D HA 0.144 4.784 4.640 0.001 0.000 0.361 531 D C 0.492 176.783 176.300 -0.015 0.000 1.317 531 D CA 0.301 54.301 54.000 0.001 0.000 0.832 531 D CB 0.606 41.407 40.800 0.001 0.000 1.135 531 D HN 0.002 nan 8.370 nan 0.000 0.476 532 S N 0.286 115.978 115.700 -0.014 0.000 2.493 532 S HA -0.162 4.309 4.470 0.001 0.000 0.243 532 S C 1.174 175.720 174.600 -0.090 0.000 0.991 532 S CA 1.279 59.459 58.200 -0.034 0.000 0.957 532 S CB 0.099 63.294 63.200 -0.007 0.000 0.756 532 S HN 0.301 nan 8.310 nan 0.000 0.521 533 Q N 0.675 120.420 119.800 -0.092 0.000 2.165 533 Q HA 0.290 4.631 4.340 0.001 0.000 0.245 533 Q C -0.924 174.935 176.000 -0.235 0.000 0.841 533 Q CA -0.341 55.322 55.803 -0.233 0.000 1.078 533 Q CB 1.274 29.997 28.738 -0.025 0.000 1.169 533 Q HN 0.477 nan 8.270 nan 0.000 0.475 534 V N -3.346 116.479 119.914 -0.148 0.000 2.932 534 V HA 0.642 4.762 4.120 0.001 0.000 0.307 534 V C -2.886 173.171 176.094 -0.063 0.000 1.147 534 V CA -2.644 59.598 62.300 -0.097 0.000 0.951 534 V CB 1.983 33.785 31.823 -0.035 0.000 1.031 534 V HN -0.070 nan 8.190 nan 0.000 0.426 535 P HA 0.337 nan 4.420 nan 0.000 0.273 535 P C -0.297 177.018 177.300 0.025 0.000 1.250 535 P CA 0.218 63.328 63.100 0.016 0.000 0.793 535 P CB 1.182 32.861 31.700 -0.035 0.000 1.011 536 S N -0.442 115.303 115.700 0.074 0.000 2.671 536 S HA 0.679 5.150 4.470 0.001 0.000 0.299 536 S C -0.765 173.896 174.600 0.100 0.000 1.116 536 S CA -0.745 57.494 58.200 0.065 0.000 0.912 536 S CB 1.216 64.448 63.200 0.053 0.000 1.130 536 S HN 0.308 nan 8.310 nan 0.000 0.501 537 I N 0.973 121.591 120.570 0.079 0.000 2.439 537 I HA 0.594 4.765 4.170 0.001 0.000 0.283 537 I C -0.561 175.595 176.117 0.065 0.000 1.023 537 I CA -0.454 60.902 61.300 0.092 0.000 1.100 537 I CB 1.170 39.200 38.000 0.052 0.000 1.238 537 I HN 0.781 nan 8.210 nan 0.000 0.445 538 R N 3.791 124.338 120.500 0.078 0.000 2.867 538 R HA 0.504 4.844 4.340 0.001 0.000 0.268 538 R C -1.154 175.178 176.300 0.054 0.000 1.014 538 R CA -1.051 55.082 56.100 0.055 0.000 0.946 538 R CB 0.963 31.294 30.300 0.052 0.000 1.208 538 R HN 0.378 nan 8.270 nan 0.000 0.477 539 D N 0.667 121.089 120.400 0.036 0.000 2.525 539 D HA -0.030 4.610 4.640 0.001 0.000 0.235 539 D C -0.236 176.086 176.300 0.037 0.000 1.137 539 D CA 0.265 54.283 54.000 0.030 0.000 0.868 539 D CB 0.367 41.179 40.800 0.019 0.000 1.180 539 D HN 0.360 nan 8.370 nan 0.000 0.465 540 c N 2.612 121.234 118.600 0.037 0.000 2.657 540 c HA 0.132 4.703 4.570 0.001 0.000 0.404 540 c C 2.067 176.172 174.090 0.026 0.000 1.369 540 c CA -0.178 56.175 56.329 0.040 0.000 1.665 540 c CB -0.850 41.682 42.510 0.038 0.000 2.453 540 c HN 0.712 nan 8.230 nan 0.000 0.599 541 T N 0.060 114.629 114.554 0.025 0.000 2.990 541 T HA 0.397 4.748 4.350 0.001 0.000 0.237 541 T C 1.375 176.079 174.700 0.006 0.000 1.009 541 T CA 1.013 63.121 62.100 0.012 0.000 1.195 541 T CB -0.109 68.763 68.868 0.008 0.000 0.885 541 T HN 1.362 nan 8.240 nan 0.000 0.424 542 G N 1.247 110.050 108.800 0.006 0.000 2.234 542 G HA2 -0.024 3.937 3.960 0.001 0.000 0.153 542 G HA3 -0.024 3.937 3.960 0.001 0.000 0.153 542 G C 0.198 175.089 174.900 -0.015 0.000 1.013 542 G CA 0.121 45.219 45.100 -0.003 0.000 0.712 542 G HN 1.099 nan 8.290 nan 0.000 0.491 543 S N -0.079 115.610 115.700 -0.019 0.000 2.596 543 S HA 0.458 4.929 4.470 0.001 0.000 0.260 543 S C 1.344 175.906 174.600 -0.064 0.000 1.336 543 S CA -0.047 58.130 58.200 -0.038 0.000 0.993 543 S CB 1.084 64.260 63.200 -0.039 0.000 0.923 543 S HN 0.331 nan 8.310 nan 0.000 0.567 544 R N 0.351 120.802 120.500 -0.082 0.000 2.307 544 R HA 0.048 4.388 4.340 0.001 0.000 0.199 544 R C 1.809 177.994 176.300 -0.192 0.000 1.000 544 R CA 0.595 56.626 56.100 -0.115 0.000 1.023 544 R CB -0.507 29.733 30.300 -0.100 0.000 0.908 544 R HN 0.647 nan 8.270 nan 0.000 0.473 545 S N 0.793 116.391 115.700 -0.170 0.000 2.496 545 S HA -0.007 4.463 4.470 0.001 0.000 0.224 545 S C 1.262 175.699 174.600 -0.271 0.000 0.996 545 S CA 0.700 58.764 58.200 -0.227 0.000 0.927 545 S CB 0.251 63.374 63.200 -0.127 0.000 0.774 545 S HN 0.339 nan 8.310 nan 0.000 0.524 546 Q N 0.448 120.156 119.800 -0.153 0.000 2.188 546 Q HA 0.260 4.601 4.340 0.001 0.000 0.212 546 Q C -0.599 175.386 176.000 -0.026 0.000 0.846 546 Q CA -0.037 55.767 55.803 0.001 0.000 0.989 546 Q CB 0.737 29.532 28.738 0.096 0.000 1.114 546 Q HN 0.481 nan 8.270 nan 0.000 0.488 547 Q N 0.250 119.883 119.800 -0.279 0.000 2.325 547 Q HA 0.282 4.623 4.340 0.001 0.000 0.262 547 Q C -1.410 174.391 176.000 -0.332 0.000 0.968 547 Q CA -0.280 55.429 55.803 -0.157 0.000 0.877 547 Q CB 1.092 29.761 28.738 -0.116 0.000 1.253 547 Q HN 0.126 nan 8.270 nan 0.000 0.448 548 W N 2.845 124.191 121.300 0.077 0.000 2.761 548 W HA 0.506 5.167 4.660 0.001 0.000 0.340 548 W C -0.844 175.750 176.519 0.125 0.000 1.072 548 W CA -0.569 56.814 57.345 0.063 0.000 1.215 548 W CB 1.047 30.513 29.460 0.009 0.000 1.420 548 W HN 0.367 nan 8.180 nan 0.000 0.519 549 L N 4.239 125.632 121.223 0.283 0.000 2.262 549 L HA 0.400 4.741 4.340 0.001 0.000 0.288 549 L C -0.320 176.649 176.870 0.165 0.000 1.035 549 L CA -0.635 54.336 54.840 0.219 0.000 0.820 549 L CB 0.314 42.452 42.059 0.132 0.000 1.204 549 L HN 0.241 nan 8.230 nan 0.000 0.424 550 L N 4.852 126.159 121.223 0.139 0.000 2.288 550 L HA 0.434 4.774 4.340 0.001 0.000 0.283 550 L C 0.128 177.069 176.870 0.119 0.000 1.072 550 L CA -0.432 54.445 54.840 0.062 0.000 0.862 550 L CB 0.060 42.078 42.059 -0.068 0.000 1.245 550 L HN 0.574 nan 8.230 nan 0.000 0.432 551 R N 1.771 122.319 120.500 0.080 0.000 2.643 551 R HA 0.387 4.727 4.340 0.001 0.000 0.272 551 R C -0.584 175.730 176.300 0.023 0.000 0.995 551 R CA -0.986 55.143 56.100 0.048 0.000 1.032 551 R CB 1.417 31.746 30.300 0.048 0.000 1.126 551 R HN 0.349 nan 8.270 nan 0.000 0.505 552 N N -0.515 118.182 118.700 -0.004 0.000 2.430 552 N HA 0.202 4.942 4.740 0.001 0.000 0.292 552 N C -0.094 175.408 175.510 -0.014 0.000 1.051 552 N CA -0.373 52.671 53.050 -0.011 0.000 0.917 552 N CB 1.229 39.702 38.487 -0.024 0.000 1.164 552 N HN 0.180 nan 8.380 nan 0.000 0.484 553 V N 0.000 119.897 119.914 -0.028 0.000 2.409 553 V HA 0.000 4.120 4.120 0.001 0.000 0.244 553 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 553 V CB 0.000 31.792 31.823 -0.052 0.000 1.184 553 V HN 0.000 nan 8.190 nan 0.000 0.556