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 3lda_1_A DATA FIRST_RESID 78 DATA SEQUENCE GSFVPIEKLQ VNGITMADVK KLRESGLHTA EAVAYAPRKD LLEIKGISEA DATA SEQUENCE KADKLLNEAA RLVPMGFVTA ADFHMRRSEL ICLTTGSKNL DTLLGGGVET DATA SEQUENCE GSITELFGEF RTGKSQLCHT LAVTCQIPLD IGGGEGKCLY IDTEGTFRPV DATA SEQUENCE RLVSIAQRFG LDPDDALNNV AYARAYNADH QLRLLDAAAQ MMSESRFSLI DATA SEQUENCE VVDSVMALYR XXXXXXGELS ARQMHLAKFM RALQRLADQF GVAVVVTNQV DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIMAYSSTTR LGFKKGKGCQ RLCKVVDSPC DATA SEQUENCE LPEAECVFAI YEDGVGDPR 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 78 G HA2 0.000 nan 3.960 nan 0.000 0.244 78 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 78 G C 0.000 174.833 174.900 -0.111 0.000 0.946 78 G CA 0.000 44.998 45.100 -0.169 0.000 0.502 79 S N 0.147 115.823 115.700 -0.039 0.000 2.602 79 S HA 0.656 5.126 4.470 -0.001 0.000 0.240 79 S C 0.059 174.775 174.600 0.192 0.000 0.992 79 S CA -0.188 58.067 58.200 0.091 0.000 0.971 79 S CB -0.485 62.816 63.200 0.169 0.000 0.855 79 S HN 1.701 nan 8.310 nan 0.000 0.481 80 F N -1.769 118.207 119.950 0.043 0.000 2.693 80 F HA 0.757 5.283 4.527 -0.001 0.000 0.309 80 F C -1.583 174.202 175.800 -0.026 0.000 1.129 80 F CA -1.644 56.350 58.000 -0.009 0.000 0.948 80 F CB 0.876 39.847 39.000 -0.048 0.000 1.315 80 F HN -0.203 nan 8.300 nan 0.000 0.447 81 V N 2.822 122.834 119.914 0.164 0.000 2.406 81 V HA 0.379 4.499 4.120 -0.001 0.000 0.272 81 V C -2.188 174.017 176.094 0.185 0.000 1.043 81 V CA -1.830 60.499 62.300 0.048 0.000 0.915 81 V CB 0.935 32.763 31.823 0.010 0.000 0.988 81 V HN 0.586 nan 8.190 nan 0.000 0.466 82 P HA 0.104 nan 4.420 nan 0.000 0.264 82 P C 1.052 178.417 177.300 0.109 0.000 1.193 82 P CA 0.255 63.463 63.100 0.180 0.000 0.763 82 P CB 0.577 32.317 31.700 0.067 0.000 0.810 83 I N 2.944 123.579 120.570 0.109 0.000 2.423 83 I HA -0.288 3.882 4.170 -0.001 0.000 0.254 83 I C 1.203 177.332 176.117 0.020 0.000 1.151 83 I CA 1.600 62.916 61.300 0.027 0.000 1.421 83 I CB 0.129 38.129 38.000 0.001 0.000 1.079 83 I HN 0.343 nan 8.210 nan 0.000 0.431 84 E N 0.745 120.970 120.200 0.041 0.000 2.333 84 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 84 E C 1.772 178.380 176.600 0.012 0.000 1.007 84 E CA 0.724 57.140 56.400 0.026 0.000 0.845 84 E CB -0.171 29.550 29.700 0.036 0.000 0.766 84 E HN 0.404 nan 8.360 nan 0.000 0.507 85 K N 0.099 120.505 120.400 0.009 0.000 2.504 85 K HA 0.017 4.336 4.320 -0.001 0.000 0.195 85 K C 1.106 177.701 176.600 -0.009 0.000 1.036 85 K CA 0.454 56.740 56.287 -0.002 0.000 0.984 85 K CB 0.075 32.571 32.500 -0.007 0.000 0.788 85 K HN 0.221 nan 8.250 nan 0.000 0.488 86 L N 0.273 121.489 121.223 -0.012 0.000 2.567 86 L HA 0.023 4.362 4.340 -0.001 0.000 0.225 86 L C 0.764 177.625 176.870 -0.014 0.000 1.119 86 L CA 0.201 55.030 54.840 -0.019 0.000 0.871 86 L CB 0.030 42.072 42.059 -0.029 0.000 1.036 86 L HN 0.056 nan 8.230 nan 0.000 0.459 87 Q N 1.800 121.595 119.800 -0.008 0.000 3.151 87 Q HA 0.125 4.465 4.340 -0.001 0.000 0.277 87 Q C -0.527 175.469 176.000 -0.005 0.000 1.343 87 Q CA -0.099 55.700 55.803 -0.006 0.000 0.925 87 Q CB -0.055 28.682 28.738 -0.001 0.000 1.771 87 Q HN 0.338 nan 8.270 nan 0.000 0.514 88 V N -3.430 116.479 119.914 -0.007 0.000 3.167 88 V HA 0.420 4.540 4.120 -0.001 0.000 0.310 88 V C -0.017 176.073 176.094 -0.007 0.000 1.207 88 V CA -1.340 60.956 62.300 -0.006 0.000 1.059 88 V CB 1.898 33.717 31.823 -0.007 0.000 1.079 88 V HN 0.492 nan 8.190 nan 0.000 0.446 89 N N 1.133 119.830 118.700 -0.005 0.000 2.702 89 N HA -0.229 4.510 4.740 -0.001 0.000 0.255 89 N C 1.144 176.650 175.510 -0.006 0.000 0.983 89 N CA 1.888 54.935 53.050 -0.005 0.000 0.768 89 N CB -1.223 37.260 38.487 -0.006 0.000 0.918 89 N HN 2.060 nan 8.380 nan 0.000 0.540 90 G N -1.579 107.218 108.800 -0.005 0.000 2.254 90 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.225 90 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.225 90 G C 0.080 174.976 174.900 -0.007 0.000 1.003 90 G CA 0.071 45.167 45.100 -0.006 0.000 0.622 90 G HN 0.352 nan 8.290 nan 0.000 0.507 91 I N 3.199 123.763 120.570 -0.009 0.000 2.533 91 I HA 0.376 4.546 4.170 -0.001 0.000 0.284 91 I C 1.357 177.468 176.117 -0.008 0.000 1.109 91 I CA 0.698 61.991 61.300 -0.011 0.000 1.412 91 I CB 0.238 38.229 38.000 -0.014 0.000 1.396 91 I HN 0.424 nan 8.210 nan 0.000 0.543 92 T N 2.732 117.281 114.554 -0.008 0.000 2.937 92 T HA 0.386 4.735 4.350 -0.001 0.000 0.283 92 T C 1.025 175.722 174.700 -0.005 0.000 1.012 92 T CA -0.798 61.299 62.100 -0.005 0.000 0.997 92 T CB 1.615 70.481 68.868 -0.004 0.000 1.136 92 T HN 0.632 nan 8.240 nan 0.000 0.551 93 M N 0.876 120.476 119.600 -0.001 0.000 2.229 93 M HA 0.071 4.551 4.480 -0.001 0.000 0.264 93 M C 2.163 178.462 176.300 -0.001 0.000 1.063 93 M CA 1.890 57.191 55.300 0.002 0.000 1.114 93 M CB -0.729 31.874 32.600 0.006 0.000 1.387 93 M HN 0.839 nan 8.290 nan 0.000 0.420 94 A N 0.367 123.185 122.820 -0.002 0.000 1.969 94 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 94 A C 1.655 179.233 177.584 -0.010 0.000 1.169 94 A CA 1.851 53.885 52.037 -0.004 0.000 0.635 94 A CB -0.690 18.309 19.000 -0.003 0.000 0.810 94 A HN 0.564 nan 8.150 nan 0.000 0.445 95 D N -0.076 120.316 120.400 -0.012 0.000 2.077 95 D HA -0.096 4.544 4.640 -0.001 0.000 0.196 95 D C 2.109 178.393 176.300 -0.026 0.000 0.986 95 D CA 1.560 55.549 54.000 -0.018 0.000 0.829 95 D CB -0.588 40.201 40.800 -0.018 0.000 0.983 95 D HN 0.178 nan 8.370 nan 0.000 0.453 96 V N 1.322 121.221 119.914 -0.025 0.000 2.469 96 V HA -0.270 3.849 4.120 -0.001 0.000 0.251 96 V C 2.383 178.455 176.094 -0.037 0.000 1.064 96 V CA 1.622 63.903 62.300 -0.033 0.000 1.066 96 V CB -0.471 31.340 31.823 -0.019 0.000 0.667 96 V HN 0.113 nan 8.190 nan 0.000 0.461 97 K N 0.922 121.310 120.400 -0.021 0.000 2.097 97 K HA -0.178 4.142 4.320 -0.001 0.000 0.206 97 K C 2.017 178.599 176.600 -0.030 0.000 1.049 97 K CA 1.646 57.923 56.287 -0.016 0.000 0.933 97 K CB -0.267 32.231 32.500 -0.003 0.000 0.717 97 K HN 0.434 nan 8.250 nan 0.000 0.442 98 K N 0.159 120.539 120.400 -0.032 0.000 2.103 98 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 98 K C 2.085 178.649 176.600 -0.061 0.000 1.052 98 K CA 1.258 57.523 56.287 -0.036 0.000 0.945 98 K CB -0.153 32.330 32.500 -0.028 0.000 0.722 98 K HN 0.127 nan 8.250 nan 0.000 0.443 99 L N 0.712 121.889 121.223 -0.077 0.000 1.994 99 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 99 L C 2.575 179.332 176.870 -0.188 0.000 1.071 99 L CA 1.398 56.172 54.840 -0.111 0.000 0.745 99 L CB -0.519 41.476 42.059 -0.107 0.000 0.892 99 L HN 0.155 nan 8.230 nan 0.000 0.431 100 R N 0.271 120.641 120.500 -0.217 0.000 2.094 100 R HA -0.209 4.130 4.340 -0.001 0.000 0.239 100 R C 2.178 178.316 176.300 -0.270 0.000 1.137 100 R CA 1.789 57.650 56.100 -0.397 0.000 0.943 100 R CB -0.399 29.805 30.300 -0.159 0.000 0.850 100 R HN 0.436 nan 8.270 nan 0.000 0.433 101 E N 0.221 120.362 120.200 -0.099 0.000 2.209 101 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 101 E C 1.746 178.323 176.600 -0.037 0.000 0.993 101 E CA 1.503 57.884 56.400 -0.031 0.000 0.819 101 E CB 0.019 29.711 29.700 -0.014 0.000 0.745 101 E HN 0.363 nan 8.360 nan 0.000 0.477 102 S N -1.341 114.314 115.700 -0.075 0.000 2.593 102 S HA 0.196 4.666 4.470 -0.001 0.000 0.217 102 S C 1.444 176.010 174.600 -0.056 0.000 0.966 102 S CA 0.307 58.475 58.200 -0.053 0.000 0.914 102 S CB 0.773 63.940 63.200 -0.055 0.000 0.776 102 S HN 0.340 nan 8.310 nan 0.000 0.523 103 G N 0.706 109.443 108.800 -0.105 0.000 2.179 103 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.220 103 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.220 103 G C -0.176 174.636 174.900 -0.146 0.000 0.990 103 G CA -0.092 44.985 45.100 -0.039 0.000 0.646 103 G HN 0.511 nan 8.290 nan 0.000 0.517 104 L N 0.998 122.034 121.223 -0.311 0.000 2.255 104 L HA 0.583 4.923 4.340 -0.001 0.000 0.289 104 L C 0.800 177.409 176.870 -0.434 0.000 1.046 104 L CA -0.798 53.889 54.840 -0.255 0.000 0.816 104 L CB 0.852 42.803 42.059 -0.180 0.000 1.197 104 L HN 0.178 nan 8.230 nan 0.000 0.427 105 H N -0.011 119.004 119.070 -0.092 0.000 2.592 105 H HA 0.283 4.838 4.556 -0.001 0.000 0.279 105 H C -0.085 175.126 175.328 -0.195 0.000 1.089 105 H CA 0.022 56.025 56.048 -0.074 0.000 1.150 105 H CB 0.909 30.699 29.762 0.047 0.000 1.575 105 H HN 0.471 nan 8.280 nan 0.000 0.547 106 T N -1.115 113.299 114.554 -0.233 0.000 2.864 106 T HA 0.498 4.847 4.350 -0.001 0.000 0.299 106 T C 1.031 175.612 174.700 -0.198 0.000 1.166 106 T CA -0.066 61.862 62.100 -0.286 0.000 1.007 106 T CB 1.827 70.269 68.868 -0.709 0.000 1.219 106 T HN 0.166 nan 8.240 nan 0.000 0.506 107 A N 0.972 123.719 122.820 -0.121 0.000 1.898 107 A HA -0.001 4.319 4.320 -0.001 0.000 0.216 107 A C 1.887 179.306 177.584 -0.275 0.000 1.181 107 A CA 1.745 53.697 52.037 -0.141 0.000 0.620 107 A CB -0.624 18.328 19.000 -0.080 0.000 0.819 107 A HN 0.824 nan 8.150 nan 0.000 0.442 108 E N 0.250 120.236 120.200 -0.356 0.000 2.097 108 E HA -0.125 4.225 4.350 -0.001 0.000 0.196 108 E C 2.212 178.337 176.600 -0.791 0.000 1.000 108 E CA 1.491 57.450 56.400 -0.734 0.000 0.804 108 E CB -0.503 28.872 29.700 -0.541 0.000 0.740 108 E HN 0.586 nan 8.360 nan 0.000 0.454 109 A N 0.270 122.839 122.820 -0.419 0.000 1.908 109 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 109 A C 2.481 179.952 177.584 -0.188 0.000 1.181 109 A CA 1.595 53.491 52.037 -0.235 0.000 0.627 109 A CB -0.700 18.169 19.000 -0.217 0.000 0.818 109 A HN 0.166 nan 8.150 nan 0.000 0.445 110 V N -0.344 119.445 119.914 -0.209 0.000 2.358 110 V HA -0.188 3.932 4.120 -0.001 0.000 0.246 110 V C 3.040 179.045 176.094 -0.147 0.000 1.047 110 V CA 1.785 63.998 62.300 -0.146 0.000 1.035 110 V CB -1.134 30.613 31.823 -0.127 0.000 0.658 110 V HN 0.614 nan 8.190 nan 0.000 0.452 111 A N -0.670 121.999 122.820 -0.251 0.000 1.902 111 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 111 A C 1.950 179.496 177.584 -0.064 0.000 1.181 111 A CA 1.813 53.718 52.037 -0.220 0.000 0.623 111 A CB -0.638 18.138 19.000 -0.374 0.000 0.818 111 A HN 0.608 nan 8.150 nan 0.000 0.443 112 Y N -0.356 119.911 120.300 -0.055 0.000 2.490 112 Y HA 0.498 5.048 4.550 -0.001 0.000 0.281 112 Y C 1.419 177.289 175.900 -0.050 0.000 1.174 112 Y CA -0.771 57.297 58.100 -0.053 0.000 1.295 112 Y CB -1.195 37.231 38.460 -0.056 0.000 1.062 112 Y HN 0.271 nan 8.280 nan 0.000 0.522 113 A N 2.995 125.855 122.820 0.066 0.000 2.440 113 A HA 0.343 4.663 4.320 -0.001 0.000 0.251 113 A C -2.057 175.538 177.584 0.018 0.000 1.089 113 A CA -1.234 50.818 52.037 0.026 0.000 0.779 113 A CB -0.340 18.651 19.000 -0.015 0.000 1.022 113 A HN -0.004 nan 8.150 nan 0.000 0.492 114 P HA 0.164 nan 4.420 nan 0.000 0.276 114 P C 0.560 177.858 177.300 -0.003 0.000 1.230 114 P CA -0.320 62.782 63.100 0.003 0.000 0.776 114 P CB 0.917 32.617 31.700 -0.001 0.000 0.888 115 R N 2.811 123.309 120.500 -0.004 0.000 2.140 115 R HA -0.240 4.099 4.340 -0.001 0.000 0.250 115 R C 2.198 178.493 176.300 -0.009 0.000 1.150 115 R CA 2.379 58.474 56.100 -0.007 0.000 0.966 115 R CB -0.308 29.989 30.300 -0.005 0.000 0.869 115 R HN 0.457 nan 8.270 nan 0.000 0.445 116 K N 0.079 120.475 120.400 -0.007 0.000 2.044 116 K HA -0.214 4.105 4.320 -0.001 0.000 0.210 116 K C 1.367 177.961 176.600 -0.010 0.000 1.049 116 K CA 2.243 58.525 56.287 -0.008 0.000 0.927 116 K CB -0.144 32.352 32.500 -0.007 0.000 0.713 116 K HN 0.158 nan 8.250 nan 0.000 0.443 117 D N 0.699 121.092 120.400 -0.011 0.000 2.149 117 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 117 D C 1.924 178.214 176.300 -0.018 0.000 0.990 117 D CA 1.110 55.101 54.000 -0.014 0.000 0.839 117 D CB -0.087 40.705 40.800 -0.013 0.000 0.948 117 D HN 0.255 nan 8.370 nan 0.000 0.460 118 L N -0.333 120.879 121.223 -0.019 0.000 1.988 118 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 118 L C 2.270 179.128 176.870 -0.019 0.000 1.071 118 L CA 0.463 55.289 54.840 -0.023 0.000 0.744 118 L CB -0.449 41.596 42.059 -0.024 0.000 0.893 118 L HN 0.045 nan 8.230 nan 0.000 0.433 119 L N 0.484 121.698 121.223 -0.015 0.000 2.089 119 L HA -0.236 4.104 4.340 -0.001 0.000 0.213 119 L C 2.305 179.168 176.870 -0.012 0.000 1.079 119 L CA 1.762 56.594 54.840 -0.012 0.000 0.758 119 L CB -0.903 41.150 42.059 -0.010 0.000 0.891 119 L HN 0.453 nan 8.230 nan 0.000 0.433 120 E N -0.537 119.656 120.200 -0.012 0.000 2.365 120 E HA 0.010 4.360 4.350 -0.001 0.000 0.188 120 E C 0.257 176.849 176.600 -0.012 0.000 1.102 120 E CA -0.005 56.388 56.400 -0.011 0.000 0.927 120 E CB -0.283 29.412 29.700 -0.009 0.000 1.073 120 E HN 0.415 nan 8.360 nan 0.000 0.467 121 I N 2.422 122.983 120.570 -0.015 0.000 2.307 121 I HA 0.113 4.282 4.170 -0.001 0.000 0.289 121 I C -0.012 176.096 176.117 -0.014 0.000 1.021 121 I CA -0.905 60.385 61.300 -0.017 0.000 1.224 121 I CB 1.065 39.051 38.000 -0.023 0.000 1.376 121 I HN -0.049 nan 8.210 nan 0.000 0.470 122 K N 5.844 126.238 120.400 -0.011 0.000 2.320 122 K HA 0.095 4.414 4.320 -0.001 0.000 0.269 122 K C 0.997 177.590 176.600 -0.010 0.000 1.182 122 K CA 0.703 56.985 56.287 -0.009 0.000 1.190 122 K CB -0.083 32.412 32.500 -0.007 0.000 0.850 122 K HN 1.046 nan 8.250 nan 0.000 0.467 123 G N 2.561 111.355 108.800 -0.010 0.000 2.296 123 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.188 123 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.188 123 G C -0.067 174.825 174.900 -0.012 0.000 1.000 123 G CA -0.741 44.353 45.100 -0.010 0.000 0.672 123 G HN 0.437 nan 8.290 nan 0.000 0.483 124 I N 3.088 123.650 120.570 -0.014 0.000 2.321 124 I HA 0.499 4.669 4.170 -0.001 0.000 0.291 124 I C 1.058 177.168 176.117 -0.012 0.000 0.998 124 I CA -0.711 60.580 61.300 -0.015 0.000 1.227 124 I CB 0.903 38.891 38.000 -0.019 0.000 1.368 124 I HN 0.369 nan 8.210 nan 0.000 0.466 125 S N 4.129 119.822 115.700 -0.011 0.000 2.617 125 S HA 0.224 4.694 4.470 -0.001 0.000 0.269 125 S C 0.973 175.568 174.600 -0.010 0.000 1.292 125 S CA -0.416 57.779 58.200 -0.009 0.000 1.010 125 S CB 1.855 65.050 63.200 -0.008 0.000 0.944 125 S HN 0.668 nan 8.310 nan 0.000 0.536 126 E N 1.134 121.329 120.200 -0.008 0.000 2.153 126 E HA -0.107 4.242 4.350 -0.001 0.000 0.194 126 E C 2.038 178.633 176.600 -0.008 0.000 0.988 126 E CA 1.145 57.540 56.400 -0.008 0.000 0.811 126 E CB -0.456 29.241 29.700 -0.006 0.000 0.746 126 E HN 0.849 nan 8.360 nan 0.000 0.466 127 A N 0.625 123.441 122.820 -0.007 0.000 2.014 127 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 127 A C 1.990 179.569 177.584 -0.008 0.000 1.163 127 A CA 1.340 53.373 52.037 -0.007 0.000 0.652 127 A CB -0.179 18.817 19.000 -0.006 0.000 0.808 127 A HN 0.031 nan 8.150 nan 0.000 0.449 128 K N 0.521 120.915 120.400 -0.010 0.000 2.062 128 K HA 0.150 4.470 4.320 -0.001 0.000 0.205 128 K C 1.967 178.558 176.600 -0.015 0.000 1.051 128 K CA 1.508 57.787 56.287 -0.012 0.000 0.941 128 K CB -0.656 31.837 32.500 -0.013 0.000 0.719 128 K HN 0.244 nan 8.250 nan 0.000 0.440 129 A N 0.846 123.657 122.820 -0.015 0.000 1.908 129 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 129 A C 2.045 179.619 177.584 -0.016 0.000 1.181 129 A CA 2.305 54.331 52.037 -0.017 0.000 0.627 129 A CB -1.122 17.869 19.000 -0.015 0.000 0.818 129 A HN 0.614 nan 8.150 nan 0.000 0.445 130 D N -0.858 119.535 120.400 -0.012 0.000 2.092 130 D HA -0.191 4.448 4.640 -0.001 0.000 0.193 130 D C 1.967 178.260 176.300 -0.012 0.000 0.994 130 D CA 1.825 55.819 54.000 -0.010 0.000 0.828 130 D CB -0.125 40.671 40.800 -0.007 0.000 0.963 130 D HN 0.438 nan 8.370 nan 0.000 0.450 131 K N -0.441 119.952 120.400 -0.012 0.000 2.034 131 K HA -0.184 4.135 4.320 -0.001 0.000 0.214 131 K C 2.290 178.879 176.600 -0.018 0.000 1.051 131 K CA 1.422 57.701 56.287 -0.013 0.000 0.931 131 K CB -0.277 32.215 32.500 -0.013 0.000 0.715 131 K HN 0.224 nan 8.250 nan 0.000 0.446 132 L N 0.758 121.968 121.223 -0.022 0.000 1.970 132 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 132 L C 2.552 179.401 176.870 -0.034 0.000 1.071 132 L CA 1.203 56.024 54.840 -0.030 0.000 0.751 132 L CB -0.557 41.481 42.059 -0.035 0.000 0.889 132 L HN 0.297 nan 8.230 nan 0.000 0.432 133 L N 0.053 121.259 121.223 -0.029 0.000 1.990 133 L HA -0.288 4.052 4.340 -0.001 0.000 0.213 133 L C 2.552 179.409 176.870 -0.022 0.000 1.072 133 L CA 1.717 56.541 54.840 -0.026 0.000 0.755 133 L CB -0.422 41.627 42.059 -0.016 0.000 0.889 133 L HN 0.398 nan 8.230 nan 0.000 0.432 134 N N -0.237 118.454 118.700 -0.016 0.000 2.069 134 N HA -0.248 4.492 4.740 -0.001 0.000 0.191 134 N C 1.793 177.294 175.510 -0.015 0.000 1.031 134 N CA 1.615 54.658 53.050 -0.011 0.000 0.852 134 N CB -0.381 38.102 38.487 -0.007 0.000 1.018 134 N HN 0.392 nan 8.380 nan 0.000 0.423 135 E N 1.216 121.404 120.200 -0.020 0.000 2.031 135 E HA -0.010 4.340 4.350 -0.001 0.000 0.193 135 E C 1.932 178.514 176.600 -0.031 0.000 0.994 135 E CA 1.398 57.785 56.400 -0.022 0.000 0.800 135 E CB -0.516 29.170 29.700 -0.023 0.000 0.752 135 E HN 0.310 nan 8.360 nan 0.000 0.447 136 A N 0.840 123.634 122.820 -0.044 0.000 1.892 136 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 136 A C 2.411 179.960 177.584 -0.059 0.000 1.188 136 A CA 2.455 54.452 52.037 -0.067 0.000 0.631 136 A CB -1.161 17.782 19.000 -0.095 0.000 0.822 136 A HN 0.368 nan 8.150 nan 0.000 0.447 137 A N -1.141 121.655 122.820 -0.040 0.000 2.131 137 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 137 A C 2.107 179.684 177.584 -0.012 0.000 1.158 137 A CA 1.345 53.370 52.037 -0.021 0.000 0.665 137 A CB -0.386 18.609 19.000 -0.008 0.000 0.795 137 A HN 0.419 nan 8.150 nan 0.000 0.460 138 R N -0.792 119.698 120.500 -0.016 0.000 2.161 138 R HA 0.161 4.501 4.340 -0.001 0.000 0.213 138 R C 1.651 177.944 176.300 -0.011 0.000 1.055 138 R CA 0.817 56.911 56.100 -0.009 0.000 0.996 138 R CB -0.482 29.813 30.300 -0.009 0.000 0.901 138 R HN 0.592 nan 8.270 nan 0.000 0.456 139 L N -0.053 121.157 121.223 -0.022 0.000 2.408 139 L HA 0.153 4.493 4.340 -0.001 0.000 0.215 139 L C 0.348 177.204 176.870 -0.023 0.000 1.081 139 L CA 0.259 55.085 54.840 -0.023 0.000 0.840 139 L CB 0.361 42.401 42.059 -0.032 0.000 1.002 139 L HN -0.240 nan 8.230 nan 0.000 0.468 140 V N 1.715 121.608 119.914 -0.036 0.000 2.409 140 V HA 0.308 4.428 4.120 -0.001 0.000 0.291 140 V C -2.188 173.913 176.094 0.011 0.000 1.020 140 V CA -1.723 60.559 62.300 -0.029 0.000 0.848 140 V CB 1.519 33.269 31.823 -0.121 0.000 0.990 140 V HN -0.015 nan 8.190 nan 0.000 0.430 141 P HA 0.113 nan 4.420 nan 0.000 0.262 141 P C -0.170 177.165 177.300 0.060 0.000 1.199 141 P CA 0.248 63.378 63.100 0.049 0.000 0.763 141 P CB 0.729 32.465 31.700 0.060 0.000 0.790 142 M N 1.630 121.248 119.600 0.031 0.000 2.327 142 M HA 0.218 4.698 4.480 -0.001 0.000 0.365 142 M C 0.947 177.219 176.300 -0.047 0.000 0.992 142 M CA 0.031 55.339 55.300 0.013 0.000 0.985 142 M CB 0.866 33.482 32.600 0.027 0.000 1.673 142 M HN 0.356 nan 8.290 nan 0.000 0.586 143 G N -0.060 108.720 108.800 -0.034 0.000 2.890 143 G HA2 0.630 4.589 3.960 -0.001 0.000 0.189 143 G HA3 0.630 4.589 3.960 -0.001 0.000 0.189 143 G C -0.961 173.862 174.900 -0.127 0.000 1.342 143 G CA -0.396 44.681 45.100 -0.039 0.000 1.026 143 G HN 0.070 nan 8.290 nan 0.000 0.579 144 F N -0.437 119.505 119.950 -0.013 0.000 2.399 144 F HA 0.588 5.114 4.527 -0.001 0.000 0.328 144 F C 0.681 176.478 175.800 -0.005 0.000 1.084 144 F CA -0.245 57.742 58.000 -0.022 0.000 1.053 144 F CB 2.084 41.073 39.000 -0.019 0.000 1.209 144 F HN 0.334 nan 8.300 nan 0.000 0.502 145 V N -2.001 118.032 119.914 0.199 0.000 3.216 145 V HA 0.675 4.795 4.120 -0.001 0.000 0.302 145 V C -0.493 175.688 176.094 0.144 0.000 1.286 145 V CA -1.089 61.295 62.300 0.141 0.000 1.048 145 V CB 1.205 33.098 31.823 0.118 0.000 1.081 145 V HN 0.824 nan 8.190 nan 0.000 0.442 146 T N -0.370 114.261 114.554 0.128 0.000 2.899 146 T HA 0.628 4.978 4.350 -0.001 0.000 0.295 146 T C 1.353 176.150 174.700 0.162 0.000 1.033 146 T CA 0.217 62.390 62.100 0.122 0.000 1.084 146 T CB 1.341 70.267 68.868 0.096 0.000 0.979 146 T HN 1.861 nan 8.240 nan 0.000 0.532 147 A N 1.633 124.544 122.820 0.152 0.000 2.019 147 A HA 0.167 4.487 4.320 -0.001 0.000 0.219 147 A C 2.583 180.303 177.584 0.226 0.000 1.164 147 A CA 1.656 53.816 52.037 0.206 0.000 0.644 147 A CB -1.430 17.656 19.000 0.144 0.000 0.805 147 A HN 1.213 nan 8.150 nan 0.000 0.449 148 A N 0.170 123.091 122.820 0.168 0.000 1.877 148 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 148 A C 1.802 179.483 177.584 0.162 0.000 1.186 148 A CA 1.897 54.031 52.037 0.162 0.000 0.620 148 A CB -0.574 18.491 19.000 0.108 0.000 0.822 148 A HN 0.438 nan 8.150 nan 0.000 0.443 149 D N -1.084 119.408 120.400 0.153 0.000 2.097 149 D HA -0.125 4.515 4.640 -0.001 0.000 0.195 149 D C 1.596 178.012 176.300 0.193 0.000 0.989 149 D CA 1.171 55.255 54.000 0.140 0.000 0.827 149 D CB -0.495 40.383 40.800 0.131 0.000 0.966 149 D HN 0.392 nan 8.370 nan 0.000 0.456 150 F N 1.199 121.197 119.950 0.081 0.000 2.161 150 F HA -0.207 4.320 4.527 -0.001 0.000 0.300 150 F C 2.252 178.128 175.800 0.126 0.000 1.089 150 F CA 1.711 59.759 58.000 0.080 0.000 1.282 150 F CB -0.686 38.351 39.000 0.061 0.000 1.010 150 F HN 0.168 nan 8.300 nan 0.000 0.485 151 H N -1.174 117.845 119.070 -0.084 0.000 2.319 151 H HA -0.245 4.310 4.556 -0.001 0.000 0.299 151 H C 2.298 177.536 175.328 -0.152 0.000 1.092 151 H CA 1.537 57.479 56.048 -0.177 0.000 1.302 151 H CB -0.044 29.687 29.762 -0.051 0.000 1.373 151 H HN 0.311 nan 8.280 nan 0.000 0.497 152 M N 0.826 120.398 119.600 -0.047 0.000 2.065 152 M HA -0.164 4.316 4.480 -0.001 0.000 0.259 152 M C 2.339 178.592 176.300 -0.077 0.000 1.069 152 M CA 1.526 56.757 55.300 -0.116 0.000 1.110 152 M CB -0.281 32.286 32.600 -0.055 0.000 1.328 152 M HN 0.054 nan 8.290 nan 0.000 0.405 153 R N -0.285 120.193 120.500 -0.037 0.000 2.103 153 R HA -0.084 4.256 4.340 -0.001 0.000 0.242 153 R C 2.280 178.533 176.300 -0.078 0.000 1.142 153 R CA 1.848 57.934 56.100 -0.023 0.000 0.960 153 R CB -0.578 29.757 30.300 0.058 0.000 0.858 153 R HN 0.443 nan 8.270 nan 0.000 0.439 154 R N -0.365 120.021 120.500 -0.190 0.000 2.081 154 R HA -0.098 4.242 4.340 -0.001 0.000 0.235 154 R C 2.167 178.418 176.300 -0.083 0.000 1.131 154 R CA 1.729 57.718 56.100 -0.186 0.000 0.960 154 R CB -0.427 29.679 30.300 -0.323 0.000 0.856 154 R HN 0.372 nan 8.270 nan 0.000 0.436 155 S N 0.572 116.230 115.700 -0.070 0.000 2.500 155 S HA -0.123 4.347 4.470 -0.001 0.000 0.239 155 S C 1.262 175.834 174.600 -0.046 0.000 0.989 155 S CA 1.098 59.263 58.200 -0.058 0.000 0.951 155 S CB -0.063 63.068 63.200 -0.115 0.000 0.759 155 S HN 0.389 nan 8.310 nan 0.000 0.523 156 E N 0.273 120.448 120.200 -0.041 0.000 2.474 156 E HA 0.301 4.651 4.350 -0.001 0.000 0.195 156 E C -0.175 176.419 176.600 -0.010 0.000 1.039 156 E CA -0.323 56.064 56.400 -0.022 0.000 0.881 156 E CB 0.138 29.829 29.700 -0.015 0.000 0.970 156 E HN 0.527 nan 8.360 nan 0.000 0.486 157 L N 2.169 123.385 121.223 -0.012 0.000 2.456 157 L HA 0.030 4.370 4.340 -0.001 0.000 0.272 157 L C 0.374 177.246 176.870 0.003 0.000 1.189 157 L CA -0.296 54.545 54.840 0.002 0.000 0.846 157 L CB 0.430 42.488 42.059 -0.002 0.000 1.111 157 L HN 0.052 nan 8.230 nan 0.000 0.475 158 I N 1.950 122.527 120.570 0.012 0.000 2.588 158 I HA -0.006 4.163 4.170 -0.001 0.000 0.283 158 I C -0.016 176.104 176.117 0.004 0.000 1.119 158 I CA 0.100 61.404 61.300 0.008 0.000 1.419 158 I CB 0.533 38.541 38.000 0.014 0.000 1.394 158 I HN 0.579 nan 8.210 nan 0.000 0.562 159 C N 7.453 126.752 119.300 -0.002 0.000 2.316 159 C HA 0.433 4.893 4.460 -0.001 0.000 0.324 159 C C 0.460 175.442 174.990 -0.013 0.000 1.226 159 C CA -0.884 58.130 59.018 -0.006 0.000 1.450 159 C CB 0.175 27.912 27.740 -0.005 0.000 2.123 159 C HN 0.541 nan 8.230 nan 0.000 0.454 160 L N 2.842 124.054 121.223 -0.018 0.000 2.455 160 L HA 0.207 4.546 4.340 -0.001 0.000 0.272 160 L C 1.122 177.970 176.870 -0.037 0.000 1.174 160 L CA 0.635 55.454 54.840 -0.034 0.000 0.869 160 L CB 0.433 42.470 42.059 -0.037 0.000 1.130 160 L HN 0.651 nan 8.230 nan 0.000 0.474 161 T N 0.646 115.171 114.554 -0.048 0.000 2.901 161 T HA 0.068 4.417 4.350 -0.001 0.000 0.301 161 T C 1.276 175.954 174.700 -0.037 0.000 1.012 161 T CA -0.028 62.054 62.100 -0.031 0.000 1.135 161 T CB 0.731 69.592 68.868 -0.011 0.000 0.936 161 T HN 0.851 nan 8.240 nan 0.000 0.539 162 T N 1.389 115.936 114.554 -0.012 0.000 3.100 162 T HA 0.305 4.654 4.350 -0.001 0.000 0.253 162 T C 1.659 176.390 174.700 0.051 0.000 1.118 162 T CA 0.741 62.833 62.100 -0.013 0.000 1.058 162 T CB -0.208 68.625 68.868 -0.057 0.000 0.953 162 T HN 1.286 nan 8.240 nan 0.000 0.515 163 G N 0.587 109.452 108.800 0.109 0.000 2.213 163 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.236 163 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.236 163 G C 0.187 175.204 174.900 0.194 0.000 0.991 163 G CA 0.173 45.422 45.100 0.248 0.000 0.629 163 G HN 1.127 nan 8.290 nan 0.000 0.517 164 S N -0.056 115.716 115.700 0.121 0.000 2.498 164 S HA 0.627 5.097 4.470 -0.001 0.000 0.317 164 S C 1.357 176.005 174.600 0.079 0.000 1.090 164 S CA 0.198 58.469 58.200 0.117 0.000 1.089 164 S CB 1.285 64.551 63.200 0.111 0.000 0.997 164 S HN 0.318 nan 8.310 nan 0.000 0.470 165 K N 3.610 124.061 120.400 0.086 0.000 2.032 165 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 165 K C 1.480 178.108 176.600 0.047 0.000 1.048 165 K CA 1.968 58.291 56.287 0.061 0.000 0.927 165 K CB -0.272 32.264 32.500 0.059 0.000 0.712 165 K HN 0.572 nan 8.250 nan 0.000 0.441 166 N N 1.008 119.744 118.700 0.060 0.000 2.036 166 N HA -0.184 4.556 4.740 -0.001 0.000 0.195 166 N C 1.636 177.159 175.510 0.022 0.000 1.037 166 N CA 0.974 54.054 53.050 0.050 0.000 0.855 166 N CB -0.363 38.174 38.487 0.082 0.000 1.033 166 N HN -0.001 nan 8.380 nan 0.000 0.423 167 L N 1.115 122.342 121.223 0.006 0.000 2.027 167 L HA -0.115 4.225 4.340 -0.001 0.000 0.206 167 L C 1.285 178.130 176.870 -0.042 0.000 1.074 167 L CA 1.757 56.560 54.840 -0.061 0.000 0.745 167 L CB -0.718 41.246 42.059 -0.157 0.000 0.898 167 L HN 0.100 nan 8.230 nan 0.000 0.433 168 D N -1.428 118.962 120.400 -0.016 0.000 2.123 168 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 168 D C 2.099 178.395 176.300 -0.005 0.000 0.992 168 D CA 1.699 55.695 54.000 -0.008 0.000 0.833 168 D CB -0.257 40.549 40.800 0.010 0.000 0.954 168 D HN 0.300 nan 8.370 nan 0.000 0.455 169 T N 0.866 115.421 114.554 0.001 0.000 2.708 169 T HA -0.128 4.222 4.350 -0.001 0.000 0.266 169 T C 1.904 176.600 174.700 -0.007 0.000 1.037 169 T CA 0.470 62.571 62.100 0.002 0.000 1.146 169 T CB -0.337 68.536 68.868 0.008 0.000 0.865 169 T HN 0.018 nan 8.240 nan 0.000 0.435 170 L N 0.850 122.063 121.223 -0.017 0.000 2.042 170 L HA 0.044 4.383 4.340 -0.001 0.000 0.210 170 L C 1.774 178.628 176.870 -0.027 0.000 1.076 170 L CA 1.661 56.485 54.840 -0.028 0.000 0.749 170 L CB -0.443 41.586 42.059 -0.051 0.000 0.893 170 L HN 0.275 nan 8.230 nan 0.000 0.432 171 L N -0.523 120.683 121.223 -0.028 0.000 2.627 171 L HA 0.237 4.576 4.340 -0.001 0.000 0.232 171 L C 1.266 178.131 176.870 -0.009 0.000 1.150 171 L CA 0.375 55.203 54.840 -0.020 0.000 0.917 171 L CB -0.980 41.064 42.059 -0.024 0.000 1.104 171 L HN 0.486 nan 8.230 nan 0.000 0.445 172 G N 0.392 109.189 108.800 -0.006 0.000 2.249 172 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.273 172 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.273 172 G C 0.821 175.722 174.900 0.000 0.000 1.036 172 G CA 0.402 45.502 45.100 0.000 0.000 0.824 172 G HN 0.660 nan 8.290 nan 0.000 0.504 173 G N -2.697 106.102 108.800 -0.001 0.000 2.905 173 G HA2 0.531 4.490 3.960 -0.001 0.000 0.196 173 G HA3 0.531 4.490 3.960 -0.001 0.000 0.196 173 G C 1.367 176.265 174.900 -0.004 0.000 1.044 173 G CA 0.987 46.087 45.100 -0.000 0.000 0.778 173 G HN 2.792 nan 8.290 nan 0.000 0.474 174 G N -1.481 107.314 108.800 -0.009 0.000 2.302 174 G HA2 0.442 4.401 3.960 -0.001 0.000 0.264 174 G HA3 0.442 4.401 3.960 -0.001 0.000 0.264 174 G C -0.848 174.043 174.900 -0.014 0.000 1.335 174 G CA 0.241 45.333 45.100 -0.014 0.000 0.982 174 G HN 1.275 nan 8.290 nan 0.000 0.473 175 V N 1.510 121.414 119.914 -0.017 0.000 2.446 175 V HA 0.326 4.446 4.120 -0.001 0.000 0.276 175 V C 0.864 176.953 176.094 -0.008 0.000 1.030 175 V CA 0.230 62.521 62.300 -0.014 0.000 1.033 175 V CB 1.066 32.877 31.823 -0.020 0.000 0.993 175 V HN 0.651 nan 8.190 nan 0.000 0.477 176 E N 3.535 123.733 120.200 -0.004 0.000 2.290 176 E HA 0.189 4.539 4.350 -0.001 0.000 0.277 176 E C 0.448 177.052 176.600 0.007 0.000 1.035 176 E CA -0.360 56.041 56.400 0.002 0.000 0.873 176 E CB 0.773 30.475 29.700 0.004 0.000 1.029 176 E HN 0.867 nan 8.360 nan 0.000 0.419 177 T N 1.407 115.971 114.554 0.016 0.000 2.899 177 T HA 0.454 4.803 4.350 -0.001 0.000 0.295 177 T C 1.043 175.765 174.700 0.037 0.000 1.033 177 T CA 0.235 62.353 62.100 0.029 0.000 1.084 177 T CB 1.318 70.211 68.868 0.042 0.000 0.979 177 T HN 0.700 nan 8.240 nan 0.000 0.532 178 G N 1.319 110.146 108.800 0.045 0.000 2.213 178 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.226 178 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.226 178 G C 0.230 175.149 174.900 0.031 0.000 0.992 178 G CA 0.501 45.631 45.100 0.051 0.000 0.632 178 G HN 1.899 nan 8.290 nan 0.000 0.511 179 S N -1.008 114.700 115.700 0.014 0.000 2.705 179 S HA 0.809 5.279 4.470 -0.001 0.000 0.280 179 S C -0.647 173.936 174.600 -0.028 0.000 1.174 179 S CA -0.910 57.286 58.200 -0.006 0.000 0.823 179 S CB 2.019 65.223 63.200 0.006 0.000 1.162 179 S HN 0.692 nan 8.310 nan 0.000 0.487 180 I N 1.416 121.953 120.570 -0.054 0.000 2.359 180 I HA 0.399 4.568 4.170 -0.001 0.000 0.294 180 I C -0.368 175.713 176.117 -0.059 0.000 0.987 180 I CA -0.267 60.994 61.300 -0.064 0.000 1.225 180 I CB 1.829 39.777 38.000 -0.085 0.000 1.366 180 I HN 0.596 nan 8.210 nan 0.000 0.466 181 T N 5.534 120.066 114.554 -0.037 0.000 2.770 181 T HA 0.204 4.554 4.350 -0.001 0.000 0.283 181 T C -0.364 174.338 174.700 0.002 0.000 0.988 181 T CA -0.507 61.585 62.100 -0.014 0.000 0.957 181 T CB 0.985 69.850 68.868 -0.006 0.000 0.930 181 T HN 0.539 nan 8.240 nan 0.000 0.443 182 E N 4.255 124.476 120.200 0.035 0.000 2.134 182 E HA 0.347 4.697 4.350 -0.001 0.000 0.278 182 E C -0.894 175.789 176.600 0.138 0.000 0.959 182 E CA -0.614 55.835 56.400 0.081 0.000 0.783 182 E CB 0.609 30.374 29.700 0.108 0.000 1.095 182 E HN 0.541 nan 8.360 nan 0.000 0.399 183 L N 6.784 128.061 121.223 0.091 0.000 2.259 183 L HA 0.394 4.733 4.340 -0.001 0.000 0.288 183 L C -0.422 176.519 176.870 0.118 0.000 1.051 183 L CA -0.882 53.988 54.840 0.050 0.000 0.824 183 L CB -0.174 41.755 42.059 -0.216 0.000 1.206 183 L HN 0.466 nan 8.230 nan 0.000 0.429 184 F N 1.436 121.488 119.950 0.169 0.000 2.546 184 F HA 1.011 5.538 4.527 -0.001 0.000 0.320 184 F C 0.120 176.041 175.800 0.201 0.000 1.076 184 F CA -0.893 57.189 58.000 0.136 0.000 0.928 184 F CB 1.972 41.037 39.000 0.109 0.000 1.189 184 F HN 0.499 nan 8.300 nan 0.000 0.465 185 G N 1.906 110.987 108.800 0.469 0.000 2.337 185 G HA2 0.243 4.202 3.960 -0.001 0.000 0.298 185 G HA3 0.243 4.202 3.960 -0.001 0.000 0.298 185 G C -1.852 173.195 174.900 0.246 0.000 1.335 185 G CA -1.077 44.231 45.100 0.348 0.000 0.875 185 G HN 0.870 nan 8.290 nan 0.000 0.579 186 E N -0.751 119.570 120.200 0.202 0.000 2.391 186 E HA 0.428 4.778 4.350 -0.001 0.000 0.255 186 E C -0.065 176.640 176.600 0.176 0.000 1.187 186 E CA -0.493 56.020 56.400 0.188 0.000 0.941 186 E CB 1.053 30.851 29.700 0.164 0.000 1.010 186 E HN 0.466 nan 8.360 nan 0.000 0.458 187 F N 1.287 121.278 119.950 0.069 0.000 2.595 187 F HA -0.003 4.524 4.527 -0.001 0.000 0.359 187 F C 1.234 177.060 175.800 0.043 0.000 1.147 187 F CA 0.423 58.453 58.000 0.051 0.000 1.341 187 F CB 0.352 39.378 39.000 0.043 0.000 1.104 187 F HN 0.560 nan 8.300 nan 0.000 0.603 188 R N 1.915 121.772 120.500 -1.071 0.000 3.776 188 R HA -0.183 4.157 4.340 -0.001 0.000 0.312 188 R C 0.199 176.310 176.300 -0.315 0.000 1.181 188 R CA 0.990 56.589 56.100 -0.835 0.000 0.836 188 R CB -2.062 27.729 30.300 -0.849 0.000 1.324 188 R HN 0.975 nan 8.270 nan 0.000 0.501 189 T N -4.066 110.386 114.554 -0.169 0.000 3.105 189 T HA 0.406 4.755 4.350 -0.001 0.000 0.253 189 T C 1.319 176.070 174.700 0.084 0.000 1.047 189 T CA 0.595 62.689 62.100 -0.010 0.000 0.944 189 T CB 1.252 70.186 68.868 0.109 0.000 1.016 189 T HN 0.696 nan 8.240 nan 0.000 0.544 190 G N 1.830 110.624 108.800 -0.011 0.000 2.195 190 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.224 190 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.224 190 G C 0.943 175.818 174.900 -0.042 0.000 0.990 190 G CA 0.259 45.429 45.100 0.116 0.000 0.639 190 G HN 0.510 nan 8.290 nan 0.000 0.514 191 K N 0.714 120.949 120.400 -0.276 0.000 2.009 191 K HA -0.081 4.239 4.320 -0.001 0.000 0.210 191 K C 2.727 179.243 176.600 -0.141 0.000 1.049 191 K CA 1.857 57.891 56.287 -0.421 0.000 0.929 191 K CB -0.389 31.899 32.500 -0.353 0.000 0.714 191 K HN 0.371 nan 8.250 nan 0.000 0.440 192 S N 0.702 116.395 115.700 -0.012 0.000 2.368 192 S HA -0.166 4.303 4.470 -0.001 0.000 0.225 192 S C 2.066 176.832 174.600 0.277 0.000 1.030 192 S CA 1.105 59.406 58.200 0.168 0.000 0.999 192 S CB -0.089 63.229 63.200 0.196 0.000 0.844 192 S HN 0.203 nan 8.310 nan 0.000 0.459 193 Q N 0.409 120.285 119.800 0.126 0.000 2.135 193 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 193 Q C 2.207 178.312 176.000 0.174 0.000 0.981 193 Q CA 1.146 57.025 55.803 0.127 0.000 0.856 193 Q CB -0.746 28.033 28.738 0.067 0.000 0.902 193 Q HN 0.558 nan 8.270 nan 0.000 0.425 194 L N 0.060 121.340 121.223 0.095 0.000 2.141 194 L HA -0.116 4.224 4.340 -0.001 0.000 0.209 194 L C 2.174 179.088 176.870 0.074 0.000 1.094 194 L CA 1.501 56.365 54.840 0.041 0.000 0.763 194 L CB -0.630 41.373 42.059 -0.094 0.000 0.908 194 L HN 0.154 nan 8.230 nan 0.000 0.437 195 C N -0.855 118.511 119.300 0.110 0.000 2.457 195 C HA -0.108 4.352 4.460 -0.001 0.000 0.278 195 C C 2.553 177.687 174.990 0.239 0.000 1.309 195 C CA 0.703 59.792 59.018 0.117 0.000 1.735 195 C CB -1.252 26.543 27.740 0.093 0.000 1.992 195 C HN 0.645 nan 8.230 nan 0.000 0.493 196 H N 0.298 119.527 119.070 0.265 0.000 2.353 196 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 196 H C 2.351 177.797 175.328 0.196 0.000 1.090 196 H CA 2.153 58.369 56.048 0.280 0.000 1.327 196 H CB -0.471 29.395 29.762 0.173 0.000 1.383 196 H HN 0.377 nan 8.280 nan 0.000 0.508 197 T N 0.620 115.332 114.554 0.264 0.000 2.701 197 T HA -0.111 4.239 4.350 -0.001 0.000 0.263 197 T C 2.216 176.969 174.700 0.089 0.000 1.040 197 T CA 1.132 63.344 62.100 0.187 0.000 1.147 197 T CB -0.410 68.561 68.868 0.173 0.000 0.865 197 T HN 0.179 nan 8.240 nan 0.000 0.426 198 L N 0.972 122.234 121.223 0.066 0.000 2.081 198 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 198 L C 2.964 179.849 176.870 0.025 0.000 1.080 198 L CA 1.175 56.021 54.840 0.009 0.000 0.754 198 L CB -0.690 41.368 42.059 -0.001 0.000 0.893 198 L HN 0.265 nan 8.230 nan 0.000 0.433 199 A N -0.940 121.942 122.820 0.103 0.000 2.125 199 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 199 A C 2.173 179.803 177.584 0.077 0.000 1.156 199 A CA 1.600 53.717 52.037 0.132 0.000 0.671 199 A CB -0.336 18.812 19.000 0.248 0.000 0.794 199 A HN 0.273 nan 8.150 nan 0.000 0.459 200 V N -0.931 119.009 119.914 0.043 0.000 2.806 200 V HA -0.094 4.026 4.120 -0.001 0.000 0.239 200 V C 2.720 178.727 176.094 -0.145 0.000 1.113 200 V CA 1.791 64.089 62.300 -0.004 0.000 1.137 200 V CB -0.595 31.269 31.823 0.069 0.000 0.865 200 V HN 0.717 nan 8.190 nan 0.000 0.482 201 T N -0.484 113.905 114.554 -0.274 0.000 2.929 201 T HA -0.237 4.113 4.350 -0.001 0.000 0.271 201 T C 1.911 176.483 174.700 -0.213 0.000 1.085 201 T CA 1.523 63.370 62.100 -0.421 0.000 1.125 201 T CB -1.242 67.348 68.868 -0.463 0.000 0.874 201 T HN 0.691 nan 8.240 nan 0.000 0.494 202 C N 0.973 120.201 119.300 -0.120 0.000 2.437 202 C HA 0.115 4.575 4.460 -0.001 0.000 0.283 202 C C 2.493 177.443 174.990 -0.066 0.000 1.424 202 C CA 0.036 59.012 59.018 -0.070 0.000 1.782 202 C CB -1.408 26.314 27.740 -0.031 0.000 1.833 202 C HN 0.568 nan 8.230 nan 0.000 0.532 203 Q N 1.321 121.073 119.800 -0.079 0.000 2.354 203 Q HA 0.274 4.614 4.340 -0.001 0.000 0.203 203 Q C 1.218 177.185 176.000 -0.057 0.000 0.933 203 Q CA 0.314 56.078 55.803 -0.064 0.000 0.901 203 Q CB 0.036 28.744 28.738 -0.049 0.000 1.007 203 Q HN 0.924 nan 8.270 nan 0.000 0.495 204 I N -1.193 119.328 120.570 -0.081 0.000 2.945 204 I HA 0.328 4.498 4.170 -0.001 0.000 0.292 204 I C -2.436 173.661 176.117 -0.033 0.000 1.093 204 I CA -2.709 58.560 61.300 -0.051 0.000 1.336 204 I CB 0.263 38.217 38.000 -0.078 0.000 1.435 204 I HN -0.278 nan 8.210 nan 0.000 0.593 205 P HA 0.026 nan 4.420 nan 0.000 0.264 205 P C 0.678 177.976 177.300 -0.004 0.000 1.183 205 P CA 0.185 63.285 63.100 -0.000 0.000 0.763 205 P CB 0.476 32.184 31.700 0.015 0.000 0.807 206 L N 2.366 123.586 121.223 -0.004 0.000 2.079 206 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 206 L C 1.983 178.854 176.870 0.002 0.000 1.081 206 L CA 1.859 56.697 54.840 -0.004 0.000 0.752 206 L CB -0.913 41.145 42.059 -0.002 0.000 0.896 206 L HN 0.474 nan 8.230 nan 0.000 0.433 207 D N 1.394 121.798 120.400 0.008 0.000 2.228 207 D HA -0.242 4.398 4.640 -0.001 0.000 0.203 207 D C 1.354 177.666 176.300 0.021 0.000 0.988 207 D CA 1.397 55.404 54.000 0.013 0.000 0.864 207 D CB -0.481 40.328 40.800 0.015 0.000 0.928 207 D HN 0.642 nan 8.370 nan 0.000 0.469 208 I N -5.034 115.551 120.570 0.026 0.000 3.637 208 I HA 0.615 4.784 4.170 -0.001 0.000 0.342 208 I C 0.977 177.111 176.117 0.028 0.000 1.545 208 I CA -0.282 61.044 61.300 0.043 0.000 1.126 208 I CB 0.272 38.321 38.000 0.080 0.000 1.375 208 I HN 0.037 nan 8.210 nan 0.000 0.467 209 G N 0.968 109.773 108.800 0.008 0.000 2.160 209 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.251 209 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.251 209 G C 0.414 175.288 174.900 -0.042 0.000 1.008 209 G CA -0.042 45.052 45.100 -0.010 0.000 0.724 209 G HN 0.879 nan 8.290 nan 0.000 0.514 210 G N -1.627 107.146 108.800 -0.045 0.000 2.568 210 G HA2 0.673 4.633 3.960 -0.001 0.000 0.293 210 G HA3 0.673 4.633 3.960 -0.001 0.000 0.293 210 G C 0.898 175.774 174.900 -0.040 0.000 1.347 210 G CA -0.119 44.940 45.100 -0.068 0.000 1.039 210 G HN 1.243 nan 8.290 nan 0.000 0.523 211 G N -1.742 107.035 108.800 -0.039 0.000 3.528 211 G HA2 0.344 4.304 3.960 -0.001 0.000 0.266 211 G HA3 0.344 4.304 3.960 -0.001 0.000 0.266 211 G C 0.146 175.037 174.900 -0.015 0.000 1.004 211 G CA 0.106 45.196 45.100 -0.017 0.000 0.853 211 G HN 0.678 nan 8.290 nan 0.000 0.501 212 E N -0.334 119.850 120.200 -0.027 0.000 2.202 212 E HA -0.164 4.185 4.350 -0.001 0.000 0.214 212 E C 0.705 177.285 176.600 -0.034 0.000 1.303 212 E CA 0.368 56.751 56.400 -0.028 0.000 0.714 212 E CB -1.194 28.495 29.700 -0.018 0.000 1.130 212 E HN 0.586 nan 8.360 nan 0.000 0.356 213 G N -0.127 108.644 108.800 -0.048 0.000 2.684 213 G HA2 0.471 4.430 3.960 -0.001 0.000 0.290 213 G HA3 0.471 4.430 3.960 -0.001 0.000 0.290 213 G C -0.778 174.036 174.900 -0.144 0.000 1.425 213 G CA -0.991 44.063 45.100 -0.077 0.000 0.822 213 G HN -0.026 nan 8.290 nan 0.000 0.482 214 K N -1.146 119.059 120.400 -0.325 0.000 2.132 214 K HA 0.465 4.785 4.320 -0.001 0.000 0.240 214 K C -0.552 175.919 176.600 -0.215 0.000 1.036 214 K CA -0.223 55.773 56.287 -0.486 0.000 0.888 214 K CB 1.334 33.093 32.500 -1.235 0.000 1.071 214 K HN 0.443 nan 8.250 nan 0.000 0.502 215 C N 1.963 121.234 119.300 -0.049 0.000 2.408 215 C HA 0.527 4.987 4.460 -0.001 0.000 0.321 215 C C -1.049 174.152 174.990 0.353 0.000 1.245 215 C CA -0.894 58.233 59.018 0.181 0.000 1.523 215 C CB 0.080 27.886 27.740 0.110 0.000 2.178 215 C HN 0.693 nan 8.230 nan 0.000 0.488 216 L N 6.233 127.633 121.223 0.296 0.000 2.262 216 L HA 0.497 4.837 4.340 -0.001 0.000 0.288 216 L C -1.234 175.646 176.870 0.016 0.000 1.035 216 L CA -0.083 54.824 54.840 0.112 0.000 0.820 216 L CB 0.597 42.545 42.059 -0.185 0.000 1.204 216 L HN 0.780 nan 8.230 nan 0.000 0.424 217 Y N 6.014 126.244 120.300 -0.118 0.000 2.402 217 Y HA 0.538 5.087 4.550 -0.001 0.000 0.332 217 Y C -0.484 175.259 175.900 -0.262 0.000 0.960 217 Y CA -0.686 57.285 58.100 -0.216 0.000 1.228 217 Y CB 0.891 39.123 38.460 -0.380 0.000 1.120 217 Y HN 0.461 nan 8.280 nan 0.000 0.491 218 I N 5.482 125.964 120.570 -0.145 0.000 2.312 218 I HA 0.186 4.355 4.170 -0.001 0.000 0.290 218 I C -0.792 175.270 176.117 -0.092 0.000 1.008 218 I CA -0.515 60.689 61.300 -0.159 0.000 1.226 218 I CB 1.090 39.007 38.000 -0.139 0.000 1.371 218 I HN 0.520 nan 8.210 nan 0.000 0.468 219 D N 4.000 124.364 120.400 -0.061 0.000 2.308 219 D HA 0.239 4.879 4.640 -0.001 0.000 0.242 219 D C 0.762 177.012 176.300 -0.084 0.000 1.059 219 D CA -0.441 53.602 54.000 0.071 0.000 0.830 219 D CB 1.554 42.563 40.800 0.349 0.000 1.161 219 D HN 0.590 nan 8.370 nan 0.000 0.494 220 T N 0.096 114.605 114.554 -0.075 0.000 3.023 220 T HA 0.177 4.527 4.350 -0.001 0.000 0.253 220 T C 0.756 175.396 174.700 -0.099 0.000 1.038 220 T CA 0.030 62.044 62.100 -0.143 0.000 0.962 220 T CB 0.019 68.794 68.868 -0.155 0.000 1.018 220 T HN 0.424 nan 8.240 nan 0.000 0.521 221 E N 0.863 121.053 120.200 -0.016 0.000 2.526 221 E HA 0.371 4.721 4.350 -0.001 0.000 0.208 221 E C 1.155 177.779 176.600 0.040 0.000 0.997 221 E CA -0.144 56.260 56.400 0.006 0.000 0.961 221 E CB 0.434 30.160 29.700 0.044 0.000 1.030 221 E HN 0.542 nan 8.360 nan 0.000 0.483 222 G N 2.549 111.388 108.800 0.065 0.000 2.283 222 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.280 222 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.280 222 G C 0.880 175.863 174.900 0.138 0.000 1.029 222 G CA 1.077 46.244 45.100 0.111 0.000 0.840 222 G HN 0.410 nan 8.290 nan 0.000 0.505 223 T N -3.268 111.400 114.554 0.190 0.000 3.054 223 T HA 0.455 4.805 4.350 -0.001 0.000 0.255 223 T C 0.784 175.633 174.700 0.248 0.000 1.035 223 T CA 0.049 62.264 62.100 0.192 0.000 0.941 223 T CB 0.296 69.293 68.868 0.214 0.000 1.026 223 T HN 0.683 nan 8.240 nan 0.000 0.533 224 F N 3.555 123.562 119.950 0.095 0.000 2.484 224 F HA 0.536 5.063 4.527 -0.001 0.000 0.360 224 F C 0.177 175.927 175.800 -0.082 0.000 1.101 224 F CA -1.117 56.865 58.000 -0.030 0.000 1.251 224 F CB 0.516 39.314 39.000 -0.338 0.000 1.132 224 F HN -0.124 nan 8.300 nan 0.000 0.570 225 R N 7.281 127.340 120.500 -0.734 0.000 2.472 225 R HA 0.216 4.555 4.340 -0.001 0.000 0.294 225 R C -2.145 173.665 176.300 -0.816 0.000 1.243 225 R CA -1.728 54.000 56.100 -0.620 0.000 1.023 225 R CB 1.111 31.233 30.300 -0.296 0.000 1.157 225 R HN 0.395 nan 8.270 nan 0.000 0.530 226 P HA -0.256 nan 4.420 nan 0.000 0.217 226 P C 1.465 178.603 177.300 -0.271 0.000 1.158 226 P CA 0.976 63.776 63.100 -0.501 0.000 0.887 226 P CB 0.393 31.935 31.700 -0.263 0.000 0.792 227 V N -0.108 119.674 119.914 -0.219 0.000 2.546 227 V HA -0.288 3.831 4.120 -0.001 0.000 0.254 227 V C 2.230 178.256 176.094 -0.114 0.000 1.076 227 V CA 1.843 64.062 62.300 -0.134 0.000 1.087 227 V CB -0.738 31.016 31.823 -0.115 0.000 0.674 227 V HN 0.093 nan 8.190 nan 0.000 0.470 228 R N -1.038 119.370 120.500 -0.153 0.000 2.189 228 R HA -0.010 4.329 4.340 -0.001 0.000 0.218 228 R C 1.911 178.202 176.300 -0.016 0.000 1.074 228 R CA 0.963 56.999 56.100 -0.107 0.000 0.991 228 R CB -0.277 29.895 30.300 -0.214 0.000 0.883 228 R HN 0.416 nan 8.270 nan 0.000 0.457 229 L N -0.140 121.081 121.223 -0.004 0.000 2.313 229 L HA -0.075 4.265 4.340 -0.001 0.000 0.214 229 L C 2.213 179.117 176.870 0.057 0.000 1.119 229 L CA 0.920 55.800 54.840 0.065 0.000 0.809 229 L CB -0.406 41.699 42.059 0.075 0.000 0.933 229 L HN -0.129 nan 8.230 nan 0.000 0.449 230 V N -1.267 118.658 119.914 0.018 0.000 2.233 230 V HA -0.351 3.768 4.120 -0.001 0.000 0.247 230 V C 2.657 178.770 176.094 0.032 0.000 1.050 230 V CA 2.124 64.436 62.300 0.019 0.000 1.010 230 V CB -0.822 30.998 31.823 -0.004 0.000 0.637 230 V HN 0.555 nan 8.190 nan 0.000 0.444 231 S N -0.596 115.118 115.700 0.023 0.000 2.383 231 S HA -0.167 4.303 4.470 -0.001 0.000 0.229 231 S C 1.865 176.494 174.600 0.049 0.000 1.030 231 S CA 1.858 60.072 58.200 0.022 0.000 1.002 231 S CB -0.435 62.773 63.200 0.014 0.000 0.829 231 S HN 0.509 nan 8.310 nan 0.000 0.467 232 I N 1.412 122.040 120.570 0.098 0.000 2.252 232 I HA -0.116 4.054 4.170 -0.001 0.000 0.245 232 I C 2.857 179.127 176.117 0.255 0.000 1.102 232 I CA 1.033 62.446 61.300 0.189 0.000 1.385 232 I CB -0.718 37.426 38.000 0.241 0.000 1.064 232 I HN 0.367 nan 8.210 nan 0.000 0.414 233 A N 0.792 123.723 122.820 0.186 0.000 1.865 233 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 233 A C 2.281 179.950 177.584 0.141 0.000 1.191 233 A CA 1.761 53.908 52.037 0.183 0.000 0.623 233 A CB -0.783 18.282 19.000 0.108 0.000 0.826 233 A HN 0.485 nan 8.150 nan 0.000 0.444 234 Q N -0.931 118.910 119.800 0.069 0.000 2.112 234 Q HA -0.242 4.098 4.340 -0.001 0.000 0.206 234 Q C 2.313 178.297 176.000 -0.027 0.000 0.987 234 Q CA 1.706 57.522 55.803 0.022 0.000 0.858 234 Q CB -0.347 28.392 28.738 0.001 0.000 0.905 234 Q HN 0.728 nan 8.270 nan 0.000 0.420 235 R N 0.359 120.808 120.500 -0.085 0.000 2.170 235 R HA -0.147 4.192 4.340 -0.001 0.000 0.242 235 R C 0.689 176.707 176.300 -0.470 0.000 1.145 235 R CA 1.233 57.158 56.100 -0.292 0.000 0.984 235 R CB -0.021 30.040 30.300 -0.398 0.000 0.869 235 R HN 0.232 nan 8.270 nan 0.000 0.455 236 F N -0.221 119.742 119.950 0.022 0.000 2.647 236 F HA 0.340 4.867 4.527 -0.000 0.000 0.300 236 F C 1.201 177.010 175.800 0.014 0.000 1.106 236 F CA 0.306 58.318 58.000 0.020 0.000 1.313 236 F CB 1.168 40.183 39.000 0.026 0.000 1.007 236 F HN 0.231 nan 8.300 nan 0.000 0.536 237 G N 1.375 110.230 108.800 0.092 0.000 2.198 237 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 237 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 237 G C -0.050 174.895 174.900 0.076 0.000 1.025 237 G CA -0.018 45.123 45.100 0.067 0.000 0.769 237 G HN 0.327 nan 8.290 nan 0.000 0.507 238 L N -0.514 120.766 121.223 0.094 0.000 2.334 238 L HA 0.560 4.900 4.340 -0.001 0.000 0.270 238 L C 0.223 177.123 176.870 0.051 0.000 1.018 238 L CA -1.052 53.831 54.840 0.072 0.000 0.811 238 L CB 1.395 43.505 42.059 0.086 0.000 1.271 238 L HN 0.197 nan 8.230 nan 0.000 0.443 239 D N 1.636 122.057 120.400 0.036 0.000 2.339 239 D HA 0.193 4.832 4.640 -0.001 0.000 0.241 239 D C -1.807 174.510 176.300 0.028 0.000 1.183 239 D CA -1.683 52.333 54.000 0.026 0.000 0.859 239 D CB 1.541 42.352 40.800 0.018 0.000 1.067 239 D HN 0.117 nan 8.370 nan 0.000 0.484 240 P HA -0.215 nan 4.420 nan 0.000 0.219 240 P C 0.631 177.943 177.300 0.021 0.000 1.153 240 P CA 1.149 64.265 63.100 0.027 0.000 0.865 240 P CB 0.210 31.921 31.700 0.018 0.000 0.788 241 D N -0.886 119.523 120.400 0.016 0.000 2.097 241 D HA -0.148 4.492 4.640 -0.001 0.000 0.195 241 D C 1.487 177.796 176.300 0.015 0.000 0.989 241 D CA 1.217 55.225 54.000 0.013 0.000 0.827 241 D CB -0.671 40.135 40.800 0.010 0.000 0.966 241 D HN 0.194 nan 8.370 nan 0.000 0.456 242 D N 0.831 121.239 120.400 0.014 0.000 2.117 242 D HA -0.091 4.549 4.640 -0.001 0.000 0.197 242 D C 2.065 178.371 176.300 0.011 0.000 0.987 242 D CA 1.106 55.112 54.000 0.010 0.000 0.829 242 D CB -0.348 40.457 40.800 0.008 0.000 0.961 242 D HN 0.118 nan 8.370 nan 0.000 0.460 243 A N 0.812 123.646 122.820 0.023 0.000 1.883 243 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 243 A C 2.350 179.957 177.584 0.038 0.000 1.186 243 A CA 1.061 53.117 52.037 0.032 0.000 0.624 243 A CB -0.852 18.180 19.000 0.052 0.000 0.822 243 A HN 0.231 nan 8.150 nan 0.000 0.444 244 L N -0.343 120.904 121.223 0.039 0.000 2.201 244 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 244 L C 2.034 178.931 176.870 0.045 0.000 1.105 244 L CA 0.784 55.653 54.840 0.050 0.000 0.775 244 L CB -0.583 41.496 42.059 0.033 0.000 0.913 244 L HN 0.409 nan 8.230 nan 0.000 0.440 245 N N 0.186 118.902 118.700 0.027 0.000 2.354 245 N HA -0.094 4.646 4.740 -0.001 0.000 0.179 245 N C 1.104 176.615 175.510 0.002 0.000 1.021 245 N CA 0.740 53.802 53.050 0.020 0.000 0.887 245 N CB -0.096 38.397 38.487 0.010 0.000 0.974 245 N HN 0.325 nan 8.380 nan 0.000 0.437 246 N N 0.376 119.068 118.700 -0.014 0.000 2.370 246 N HA 0.038 4.778 4.740 -0.001 0.000 0.198 246 N C -0.582 174.894 175.510 -0.055 0.000 1.156 246 N CA 0.138 53.148 53.050 -0.068 0.000 0.839 246 N CB 0.712 39.153 38.487 -0.078 0.000 0.989 246 N HN -0.052 nan 8.380 nan 0.000 0.468 247 V N 0.935 120.864 119.914 0.026 0.000 2.378 247 V HA 0.524 4.644 4.120 -0.001 0.000 0.288 247 V C -0.111 176.060 176.094 0.128 0.000 1.016 247 V CA -1.335 61.012 62.300 0.079 0.000 0.840 247 V CB 1.332 33.215 31.823 0.100 0.000 0.994 247 V HN 0.079 nan 8.190 nan 0.000 0.431 248 A N 5.273 128.212 122.820 0.199 0.000 2.310 248 A HA 0.601 4.920 4.320 -0.001 0.000 0.300 248 A C -0.898 176.784 177.584 0.162 0.000 1.269 248 A CA -0.193 51.969 52.037 0.208 0.000 0.909 248 A CB -0.099 19.085 19.000 0.308 0.000 1.144 248 A HN 0.831 nan 8.150 nan 0.000 0.540 249 Y N 2.626 122.931 120.300 0.009 0.000 2.342 249 Y HA 0.582 5.132 4.550 -0.001 0.000 0.334 249 Y C -0.057 175.835 175.900 -0.012 0.000 1.067 249 Y CA -0.614 57.452 58.100 -0.056 0.000 1.128 249 Y CB 1.432 39.844 38.460 -0.081 0.000 1.200 249 Y HN 0.865 nan 8.280 nan 0.000 0.464 250 A N 5.978 128.245 122.820 -0.922 0.000 2.437 250 A HA 0.605 4.925 4.320 -0.001 0.000 0.293 250 A C -1.589 175.494 177.584 -0.834 0.000 1.038 250 A CA -0.912 50.698 52.037 -0.711 0.000 0.708 250 A CB 1.024 19.829 19.000 -0.325 0.000 1.251 250 A HN 0.742 nan 8.150 nan 0.000 0.409 251 R N 2.041 122.159 120.500 -0.636 0.000 2.254 251 R HA 0.709 5.049 4.340 -0.001 0.000 0.318 251 R C -0.198 175.853 176.300 -0.415 0.000 1.031 251 R CA 0.467 56.291 56.100 -0.460 0.000 0.905 251 R CB 0.880 31.007 30.300 -0.288 0.000 1.050 251 R HN 1.112 nan 8.270 nan 0.000 0.456 252 A N 4.472 127.009 122.820 -0.472 0.000 2.292 252 A HA 0.406 4.726 4.320 -0.001 0.000 0.319 252 A C -0.835 176.576 177.584 -0.288 0.000 1.206 252 A CA -0.592 51.151 52.037 -0.489 0.000 0.835 252 A CB 0.413 19.137 19.000 -0.460 0.000 1.164 252 A HN 0.914 nan 8.150 nan 0.000 0.505 253 Y N 1.136 121.603 120.300 0.279 0.000 2.449 253 Y HA 0.160 4.710 4.550 -0.001 0.000 0.254 253 Y C 0.606 176.533 175.900 0.044 0.000 1.140 253 Y CA 0.543 58.723 58.100 0.133 0.000 1.272 253 Y CB 0.334 38.863 38.460 0.114 0.000 1.114 253 Y HN 0.911 nan 8.280 nan 0.000 0.525 254 N N -2.792 116.004 118.700 0.160 0.000 3.265 254 N HA 0.380 5.120 4.740 -0.001 0.000 0.235 254 N C 0.249 175.734 175.510 -0.043 0.000 1.343 254 N CA -0.197 52.870 53.050 0.028 0.000 0.904 254 N CB 0.484 39.001 38.487 0.050 0.000 1.492 254 N HN -0.117 nan 8.380 nan 0.000 0.504 255 A N 0.283 123.005 122.820 -0.164 0.000 1.903 255 A HA -0.267 4.052 4.320 -0.001 0.000 0.219 255 A C 1.279 178.820 177.584 -0.070 0.000 1.191 255 A CA 2.189 54.061 52.037 -0.273 0.000 0.638 255 A CB -1.018 17.598 19.000 -0.640 0.000 0.823 255 A HN 0.811 nan 8.150 nan 0.000 0.451 256 D N -1.895 118.516 120.400 0.017 0.000 2.178 256 D HA -0.159 4.481 4.640 -0.001 0.000 0.202 256 D C 1.731 178.128 176.300 0.161 0.000 0.974 256 D CA 1.492 55.577 54.000 0.143 0.000 0.841 256 D CB -0.490 40.381 40.800 0.117 0.000 0.953 256 D HN 0.836 nan 8.370 nan 0.000 0.478 257 H N 0.933 120.012 119.070 0.016 0.000 2.326 257 H HA -0.084 4.471 4.556 -0.001 0.000 0.301 257 H C 2.256 177.590 175.328 0.010 0.000 1.081 257 H CA 1.161 57.223 56.048 0.024 0.000 1.334 257 H CB 0.309 30.098 29.762 0.045 0.000 1.385 257 H HN 0.037 nan 8.280 nan 0.000 0.504 258 Q N 0.207 119.942 119.800 -0.108 0.000 2.152 258 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 258 Q C 2.275 178.293 176.000 0.030 0.000 0.985 258 Q CA 1.652 57.328 55.803 -0.212 0.000 0.863 258 Q CB 0.028 28.530 28.738 -0.393 0.000 0.904 258 Q HN 0.418 nan 8.270 nan 0.000 0.422 259 L N 0.384 121.683 121.223 0.127 0.000 2.179 259 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 259 L C 2.310 179.267 176.870 0.144 0.000 1.096 259 L CA 1.531 56.522 54.840 0.251 0.000 0.779 259 L CB -0.395 41.825 42.059 0.269 0.000 0.922 259 L HN 0.103 nan 8.230 nan 0.000 0.443 260 R N -0.930 119.643 120.500 0.121 0.000 2.092 260 R HA -0.102 4.238 4.340 -0.001 0.000 0.231 260 R C 2.200 178.538 176.300 0.063 0.000 1.119 260 R CA 1.340 57.501 56.100 0.102 0.000 0.970 260 R CB -0.231 30.158 30.300 0.148 0.000 0.864 260 R HN 0.370 nan 8.270 nan 0.000 0.440 261 L N 0.467 121.706 121.223 0.028 0.000 2.131 261 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 261 L C 2.252 179.088 176.870 -0.057 0.000 1.092 261 L CA 0.971 55.788 54.840 -0.039 0.000 0.759 261 L CB -0.310 41.665 42.059 -0.141 0.000 0.903 261 L HN 0.256 nan 8.230 nan 0.000 0.435 262 L N -0.576 120.636 121.223 -0.018 0.000 2.056 262 L HA -0.211 4.128 4.340 -0.001 0.000 0.207 262 L C 2.255 179.073 176.870 -0.086 0.000 1.078 262 L CA 1.142 55.940 54.840 -0.069 0.000 0.749 262 L CB -0.675 41.355 42.059 -0.047 0.000 0.901 262 L HN 0.350 nan 8.230 nan 0.000 0.433 263 D N 0.446 120.826 120.400 -0.032 0.000 2.149 263 D HA -0.184 4.456 4.640 -0.001 0.000 0.198 263 D C 2.154 178.412 176.300 -0.070 0.000 0.990 263 D CA 1.593 55.582 54.000 -0.018 0.000 0.839 263 D CB 0.105 40.918 40.800 0.022 0.000 0.948 263 D HN 0.349 nan 8.370 nan 0.000 0.460 264 A N 1.209 123.980 122.820 -0.081 0.000 1.968 264 A HA 0.066 4.386 4.320 -0.001 0.000 0.217 264 A C 2.352 179.807 177.584 -0.214 0.000 1.169 264 A CA 1.623 53.591 52.037 -0.115 0.000 0.638 264 A CB -0.442 18.515 19.000 -0.072 0.000 0.812 264 A HN 0.227 nan 8.150 nan 0.000 0.446 265 A N 0.116 122.784 122.820 -0.255 0.000 1.933 265 A HA 0.134 4.454 4.320 -0.001 0.000 0.218 265 A C 2.476 179.731 177.584 -0.547 0.000 1.175 265 A CA 2.012 53.801 52.037 -0.414 0.000 0.628 265 A CB -0.960 17.797 19.000 -0.405 0.000 0.814 265 A HN 1.008 nan 8.150 nan 0.000 0.444 266 A N -1.184 121.382 122.820 -0.424 0.000 1.883 266 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 266 A C 2.178 179.445 177.584 -0.529 0.000 1.186 266 A CA 1.779 53.571 52.037 -0.409 0.000 0.624 266 A CB -0.571 18.400 19.000 -0.048 0.000 0.822 266 A HN 0.495 nan 8.150 nan 0.000 0.444 267 Q N -0.739 118.689 119.800 -0.621 0.000 2.014 267 Q HA -0.219 4.120 4.340 -0.001 0.000 0.207 267 Q C 2.285 178.126 176.000 -0.264 0.000 0.993 267 Q CA 2.103 57.596 55.803 -0.517 0.000 0.850 267 Q CB -0.440 28.114 28.738 -0.306 0.000 0.916 267 Q HN 0.773 nan 8.270 nan 0.000 0.417 268 M N -0.387 119.057 119.600 -0.260 0.000 2.082 268 M HA -0.225 4.255 4.480 -0.001 0.000 0.258 268 M C 2.304 178.534 176.300 -0.117 0.000 1.069 268 M CA 1.588 56.793 55.300 -0.158 0.000 1.102 268 M CB -0.315 32.143 32.600 -0.237 0.000 1.336 268 M HN 0.218 nan 8.290 nan 0.000 0.404 269 M N -0.495 118.827 119.600 -0.464 0.000 2.279 269 M HA -0.132 4.347 4.480 -0.001 0.000 0.264 269 M C 2.123 178.467 176.300 0.074 0.000 1.062 269 M CA 1.642 56.702 55.300 -0.400 0.000 1.099 269 M CB -0.555 31.263 32.600 -1.304 0.000 1.394 269 M HN 0.380 nan 8.290 nan 0.000 0.426 270 S N -0.626 115.151 115.700 0.129 0.000 2.527 270 S HA 0.015 4.484 4.470 -0.001 0.000 0.222 270 S C 1.347 176.142 174.600 0.326 0.000 0.985 270 S CA 0.373 58.788 58.200 0.357 0.000 0.921 270 S CB -0.141 63.226 63.200 0.278 0.000 0.772 270 S HN 0.522 nan 8.310 nan 0.000 0.529 271 E N 0.693 121.024 120.200 0.218 0.000 2.340 271 E HA 0.231 4.580 4.350 -0.001 0.000 0.198 271 E C -0.209 176.505 176.600 0.191 0.000 0.961 271 E CA 0.206 56.714 56.400 0.180 0.000 0.905 271 E CB 0.593 30.364 29.700 0.119 0.000 0.884 271 E HN 0.400 nan 8.360 nan 0.000 0.491 272 S N 0.113 115.965 115.700 0.253 0.000 2.569 272 S HA 0.339 4.809 4.470 -0.001 0.000 0.280 272 S C -0.729 174.025 174.600 0.257 0.000 1.111 272 S CA -0.886 57.424 58.200 0.183 0.000 0.887 272 S CB 2.470 65.726 63.200 0.093 0.000 1.095 272 S HN 0.069 nan 8.310 nan 0.000 0.476 273 R N 1.431 122.001 120.500 0.118 0.000 2.296 273 R HA 0.340 4.680 4.340 -0.001 0.000 0.323 273 R C -1.578 174.728 176.300 0.010 0.000 1.067 273 R CA 0.139 56.331 56.100 0.153 0.000 0.946 273 R CB -0.026 30.318 30.300 0.072 0.000 0.991 273 R HN 0.499 nan 8.270 nan 0.000 0.448 274 F N 1.447 121.440 119.950 0.072 0.000 2.458 274 F HA 0.229 4.755 4.527 -0.001 0.000 0.330 274 F C 1.157 176.980 175.800 0.039 0.000 1.082 274 F CA -0.236 57.772 58.000 0.013 0.000 0.995 274 F CB 2.378 41.340 39.000 -0.063 0.000 1.170 274 F HN 0.641 nan 8.300 nan 0.000 0.478 275 S N 0.963 116.758 115.700 0.160 0.000 2.632 275 S HA 0.466 4.936 4.470 -0.001 0.000 0.237 275 S C -0.545 174.107 174.600 0.088 0.000 1.037 275 S CA -0.225 58.040 58.200 0.109 0.000 1.009 275 S CB 0.299 63.526 63.200 0.046 0.000 0.974 275 S HN 0.454 nan 8.310 nan 0.000 0.544 276 L N 0.586 121.874 121.223 0.107 0.000 2.506 276 L HA 0.679 5.019 4.340 -0.001 0.000 0.257 276 L C -2.210 174.683 176.870 0.039 0.000 0.964 276 L CA -0.693 54.178 54.840 0.051 0.000 0.836 276 L CB 1.864 43.934 42.059 0.018 0.000 1.384 276 L HN 0.217 nan 8.230 nan 0.000 0.410 277 I N 4.322 124.869 120.570 -0.039 0.000 2.465 277 I HA 0.621 4.790 4.170 -0.001 0.000 0.291 277 I C -1.054 174.972 176.117 -0.152 0.000 1.014 277 I CA -0.980 60.260 61.300 -0.100 0.000 1.093 277 I CB 2.100 40.017 38.000 -0.137 0.000 1.267 277 I HN 0.296 nan 8.210 nan 0.000 0.431 278 V N 6.756 126.521 119.914 -0.249 0.000 2.540 278 V HA 0.478 4.597 4.120 -0.001 0.000 0.302 278 V C -0.444 175.403 176.094 -0.412 0.000 1.035 278 V CA -0.648 61.412 62.300 -0.399 0.000 0.873 278 V CB 2.464 33.834 31.823 -0.755 0.000 0.992 278 V HN 0.408 nan 8.190 nan 0.000 0.428 279 V N 3.435 123.184 119.914 -0.274 0.000 2.419 279 V HA 0.473 4.592 4.120 -0.001 0.000 0.287 279 V C -1.001 175.011 176.094 -0.137 0.000 1.017 279 V CA -0.417 61.788 62.300 -0.158 0.000 0.844 279 V CB 1.733 33.580 31.823 0.040 0.000 1.011 279 V HN 0.897 nan 8.190 nan 0.000 0.429 280 D N 3.790 124.105 120.400 -0.142 0.000 2.454 280 D HA 0.516 5.156 4.640 -0.001 0.000 0.247 280 D C -0.332 175.967 176.300 -0.002 0.000 1.129 280 D CA 0.008 53.983 54.000 -0.043 0.000 0.877 280 D CB 1.805 42.611 40.800 0.010 0.000 1.082 280 D HN 0.601 nan 8.370 nan 0.000 0.537 281 S N 1.079 116.769 115.700 -0.017 0.000 2.542 281 S HA 0.344 4.814 4.470 -0.001 0.000 0.293 281 S C 1.355 175.935 174.600 -0.032 0.000 1.089 281 S CA -0.528 57.668 58.200 -0.006 0.000 0.961 281 S CB 1.527 64.746 63.200 0.031 0.000 1.062 281 S HN 0.246 nan 8.310 nan 0.000 0.483 282 V N -0.218 119.698 119.914 0.004 0.000 2.720 282 V HA -0.068 4.051 4.120 -0.001 0.000 0.256 282 V C 1.829 177.914 176.094 -0.015 0.000 1.082 282 V CA 1.596 63.891 62.300 -0.007 0.000 1.101 282 V CB -1.069 30.828 31.823 0.122 0.000 0.693 282 V HN 0.822 nan 8.190 nan 0.000 0.479 283 M N 1.292 120.918 119.600 0.043 0.000 2.630 283 M HA 0.322 4.801 4.480 -0.001 0.000 0.254 283 M C 1.999 178.328 176.300 0.047 0.000 1.092 283 M CA 0.997 56.371 55.300 0.124 0.000 1.087 283 M CB -1.130 31.600 32.600 0.216 0.000 1.453 283 M HN 0.495 nan 8.290 nan 0.000 0.509 284 A N -0.418 122.345 122.820 -0.095 0.000 2.076 284 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 284 A C 1.698 179.160 177.584 -0.203 0.000 1.160 284 A CA 0.898 52.810 52.037 -0.208 0.000 0.653 284 A CB -0.932 17.953 19.000 -0.191 0.000 0.801 284 A HN 0.437 nan 8.150 nan 0.000 0.455 285 L N -0.419 120.734 121.223 -0.115 0.000 2.865 285 L HA -0.129 4.211 4.340 -0.001 0.000 0.249 285 L C 0.211 177.103 176.870 0.038 0.000 1.187 285 L CA 1.416 56.207 54.840 -0.082 0.000 0.856 285 L CB -1.920 40.122 42.059 -0.028 0.000 1.023 285 L HN 0.774 nan 8.230 nan 0.000 0.461 286 Y N -1.690 118.564 120.300 -0.077 0.000 2.422 286 Y HA 0.686 5.235 4.550 -0.001 0.000 0.344 286 Y C -0.225 175.648 175.900 -0.046 0.000 1.097 286 Y CA -1.248 56.820 58.100 -0.052 0.000 1.307 286 Y CB 0.318 38.758 38.460 -0.033 0.000 1.102 286 Y HN -0.037 nan 8.280 nan 0.000 0.520 295 E N 1.809 122.020 120.200 0.018 0.000 2.437 295 E HA 0.361 4.711 4.350 -0.001 0.000 0.195 295 E C 1.560 178.177 176.600 0.029 0.000 1.029 295 E CA -0.527 55.888 56.400 0.024 0.000 0.948 295 E CB 0.520 30.236 29.700 0.026 0.000 1.082 295 E HN 0.283 nan 8.360 nan 0.000 0.456 296 L N 1.910 123.146 121.223 0.021 0.000 2.083 296 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 296 L C 2.176 179.059 176.870 0.022 0.000 1.083 296 L CA 2.403 57.254 54.840 0.018 0.000 0.752 296 L CB -0.982 41.077 42.059 -0.000 0.000 0.899 296 L HN 0.360 nan 8.230 nan 0.000 0.433 297 S N 0.253 115.965 115.700 0.020 0.000 2.383 297 S HA -0.176 4.294 4.470 -0.001 0.000 0.229 297 S C 2.173 176.796 174.600 0.038 0.000 1.030 297 S CA 1.137 59.351 58.200 0.023 0.000 1.002 297 S CB -0.771 62.440 63.200 0.018 0.000 0.829 297 S HN 0.512 nan 8.310 nan 0.000 0.467 298 A N 1.872 124.719 122.820 0.046 0.000 1.969 298 A HA 0.076 4.395 4.320 -0.001 0.000 0.218 298 A C 2.330 179.974 177.584 0.101 0.000 1.169 298 A CA 1.334 53.412 52.037 0.069 0.000 0.635 298 A CB -0.524 18.515 19.000 0.065 0.000 0.810 298 A HN 0.405 nan 8.150 nan 0.000 0.445 299 R N -0.005 120.543 120.500 0.079 0.000 2.066 299 R HA -0.073 4.267 4.340 -0.001 0.000 0.232 299 R C 2.381 178.743 176.300 0.103 0.000 1.131 299 R CA 1.889 58.042 56.100 0.087 0.000 0.955 299 R CB -0.645 29.697 30.300 0.070 0.000 0.851 299 R HN 0.726 nan 8.270 nan 0.000 0.432 300 Q N -0.552 119.290 119.800 0.070 0.000 2.124 300 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 300 Q C 2.085 178.131 176.000 0.076 0.000 0.977 300 Q CA 1.683 57.522 55.803 0.060 0.000 0.850 300 Q CB -0.197 28.560 28.738 0.032 0.000 0.901 300 Q HN 0.345 nan 8.270 nan 0.000 0.429 301 M N -0.309 119.336 119.600 0.075 0.000 2.229 301 M HA -0.184 4.295 4.480 -0.001 0.000 0.264 301 M C 2.054 178.397 176.300 0.071 0.000 1.063 301 M CA 1.325 56.660 55.300 0.057 0.000 1.114 301 M CB -0.009 32.614 32.600 0.038 0.000 1.387 301 M HN 0.221 nan 8.290 nan 0.000 0.420 302 H N -0.039 119.057 119.070 0.043 0.000 2.372 302 H HA -0.089 4.467 4.556 -0.001 0.000 0.301 302 H C 1.940 177.319 175.328 0.084 0.000 1.065 302 H CA 1.579 57.660 56.048 0.054 0.000 1.364 302 H CB -0.152 29.631 29.762 0.034 0.000 1.406 302 H HN 0.407 nan 8.280 nan 0.000 0.521 303 L N 1.022 122.385 121.223 0.235 0.000 2.046 303 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 303 L C 2.531 179.513 176.870 0.186 0.000 1.077 303 L CA 2.076 57.034 54.840 0.196 0.000 0.747 303 L CB -1.113 41.022 42.059 0.126 0.000 0.896 303 L HN 0.201 nan 8.230 nan 0.000 0.432 304 A N -0.510 122.382 122.820 0.119 0.000 1.933 304 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 304 A C 2.470 180.094 177.584 0.067 0.000 1.175 304 A CA 1.949 54.032 52.037 0.078 0.000 0.628 304 A CB -0.634 18.395 19.000 0.049 0.000 0.814 304 A HN 0.545 nan 8.150 nan 0.000 0.444 305 K N -1.683 118.757 120.400 0.067 0.000 2.097 305 K HA -0.131 4.189 4.320 -0.001 0.000 0.205 305 K C 1.764 178.409 176.600 0.076 0.000 1.050 305 K CA 1.469 57.774 56.287 0.031 0.000 0.938 305 K CB -0.310 32.166 32.500 -0.040 0.000 0.718 305 K HN 0.374 nan 8.250 nan 0.000 0.442 306 F N 1.299 121.258 119.950 0.014 0.000 2.146 306 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 306 F C 1.955 177.754 175.800 -0.002 0.000 1.096 306 F CA 1.281 59.293 58.000 0.021 0.000 1.275 306 F CB -0.038 38.997 39.000 0.058 0.000 1.008 306 F HN 0.011 nan 8.300 nan 0.000 0.480 307 M N 0.169 119.773 119.600 0.007 0.000 2.175 307 M HA -0.141 4.338 4.480 -0.001 0.000 0.264 307 M C 2.193 178.412 176.300 -0.136 0.000 1.063 307 M CA 1.483 56.728 55.300 -0.091 0.000 1.119 307 M CB -1.217 31.389 32.600 0.010 0.000 1.377 307 M HN 0.173 nan 8.290 nan 0.000 0.415 308 R N 0.120 120.569 120.500 -0.084 0.000 2.073 308 R HA -0.060 4.280 4.340 -0.001 0.000 0.234 308 R C 2.363 178.593 176.300 -0.118 0.000 1.134 308 R CA 1.540 57.594 56.100 -0.076 0.000 0.952 308 R CB -0.750 29.524 30.300 -0.044 0.000 0.850 308 R HN 0.379 nan 8.270 nan 0.000 0.433 309 A N 1.657 124.382 122.820 -0.159 0.000 1.917 309 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 309 A C 2.253 179.693 177.584 -0.240 0.000 1.182 309 A CA 1.393 53.319 52.037 -0.185 0.000 0.633 309 A CB -0.690 18.178 19.000 -0.219 0.000 0.819 309 A HN 0.194 nan 8.150 nan 0.000 0.448 310 L N -1.313 119.686 121.223 -0.373 0.000 2.017 310 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 310 L C 2.882 179.652 176.870 -0.167 0.000 1.073 310 L CA 1.800 56.445 54.840 -0.326 0.000 0.745 310 L CB -0.472 41.351 42.059 -0.393 0.000 0.894 310 L HN 0.472 nan 8.230 nan 0.000 0.432 311 Q N 0.286 120.006 119.800 -0.133 0.000 2.224 311 Q HA -0.191 4.148 4.340 -0.001 0.000 0.203 311 Q C 2.152 178.123 176.000 -0.047 0.000 0.970 311 Q CA 1.442 57.198 55.803 -0.077 0.000 0.865 311 Q CB -0.105 28.593 28.738 -0.068 0.000 0.922 311 Q HN 0.222 nan 8.270 nan 0.000 0.445 312 R N -0.860 119.611 120.500 -0.050 0.000 2.075 312 R HA 0.000 4.340 4.340 -0.001 0.000 0.232 312 R C 2.130 178.457 176.300 0.045 0.000 1.126 312 R CA 1.225 57.321 56.100 -0.007 0.000 0.963 312 R CB -0.208 30.084 30.300 -0.014 0.000 0.858 312 R HN 0.322 nan 8.270 nan 0.000 0.435 313 L N -0.129 121.113 121.223 0.032 0.000 2.131 313 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 313 L C 2.547 179.509 176.870 0.154 0.000 1.092 313 L CA 1.135 56.051 54.840 0.126 0.000 0.759 313 L CB -0.475 41.571 42.059 -0.021 0.000 0.903 313 L HN 0.321 nan 8.230 nan 0.000 0.435 314 A N -0.148 122.707 122.820 0.059 0.000 1.930 314 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 314 A C 1.920 179.566 177.584 0.104 0.000 1.175 314 A CA 1.786 53.864 52.037 0.068 0.000 0.627 314 A CB -0.367 18.644 19.000 0.017 0.000 0.815 314 A HN 0.359 nan 8.150 nan 0.000 0.443 315 D N -0.359 120.092 120.400 0.086 0.000 2.123 315 D HA -0.122 4.517 4.640 -0.001 0.000 0.200 315 D C 2.150 178.584 176.300 0.224 0.000 0.976 315 D CA 1.355 55.429 54.000 0.123 0.000 0.831 315 D CB -0.442 40.367 40.800 0.014 0.000 0.974 315 D HN 0.610 nan 8.370 nan 0.000 0.469 316 Q N -0.819 119.053 119.800 0.120 0.000 2.167 316 Q HA -0.044 4.296 4.340 -0.001 0.000 0.202 316 Q C 1.204 176.919 176.000 -0.475 0.000 0.970 316 Q CA 0.905 56.611 55.803 -0.162 0.000 0.855 316 Q CB 0.066 28.634 28.738 -0.285 0.000 0.911 316 Q HN 0.308 nan 8.270 nan 0.000 0.438 317 F N -1.465 118.458 119.950 -0.046 0.000 2.706 317 F HA 0.314 4.840 4.527 -0.001 0.000 0.313 317 F C 1.026 176.929 175.800 0.171 0.000 1.096 317 F CA 0.148 58.120 58.000 -0.047 0.000 1.219 317 F CB 1.125 40.033 39.000 -0.154 0.000 1.051 317 F HN 0.004 nan 8.300 nan 0.000 0.568 318 G N 2.263 111.223 108.800 0.268 0.000 2.314 318 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.292 318 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.292 318 G C -0.164 174.853 174.900 0.195 0.000 1.059 318 G CA 0.299 45.528 45.100 0.216 0.000 0.982 318 G HN 0.489 nan 8.290 nan 0.000 0.505 319 V N -3.120 116.894 119.914 0.167 0.000 3.103 319 V HA 1.004 5.123 4.120 -0.001 0.000 0.318 319 V C 0.585 176.718 176.094 0.064 0.000 1.114 319 V CA -0.709 61.663 62.300 0.120 0.000 1.020 319 V CB 1.834 33.721 31.823 0.108 0.000 1.085 319 V HN 1.732 nan 8.190 nan 0.000 0.446 320 A N 1.185 124.029 122.820 0.041 0.000 2.293 320 A HA 0.827 5.147 4.320 -0.001 0.000 0.302 320 A C -0.469 177.106 177.584 -0.014 0.000 1.119 320 A CA -0.596 51.448 52.037 0.012 0.000 0.823 320 A CB 1.165 20.168 19.000 0.005 0.000 1.097 320 A HN 1.370 nan 8.150 nan 0.000 0.491 321 V N 2.229 122.124 119.914 -0.032 0.000 2.525 321 V HA 0.452 4.571 4.120 -0.001 0.000 0.299 321 V C -0.677 175.380 176.094 -0.062 0.000 1.034 321 V CA -0.443 61.821 62.300 -0.060 0.000 0.863 321 V CB 1.574 33.353 31.823 -0.074 0.000 0.999 321 V HN 0.675 nan 8.190 nan 0.000 0.423 322 V N 5.530 125.395 119.914 -0.081 0.000 2.540 322 V HA 0.725 4.845 4.120 -0.001 0.000 0.302 322 V C -0.438 175.602 176.094 -0.089 0.000 1.035 322 V CA -0.601 61.653 62.300 -0.077 0.000 0.873 322 V CB 2.199 33.970 31.823 -0.087 0.000 0.992 322 V HN 0.776 nan 8.190 nan 0.000 0.428 323 V N 1.669 121.552 119.914 -0.052 0.000 2.709 323 V HA 0.892 5.012 4.120 -0.001 0.000 0.308 323 V C -0.146 175.942 176.094 -0.010 0.000 1.062 323 V CA -0.408 61.874 62.300 -0.030 0.000 0.901 323 V CB 1.870 33.703 31.823 0.017 0.000 1.003 323 V HN 0.918 nan 8.190 nan 0.000 0.425 324 T N 0.875 115.422 114.554 -0.013 0.000 2.928 324 T HA 0.663 5.013 4.350 -0.001 0.000 0.284 324 T C -0.383 174.355 174.700 0.063 0.000 1.008 324 T CA -0.440 61.666 62.100 0.009 0.000 1.057 324 T CB 1.492 70.353 68.868 -0.012 0.000 1.018 324 T HN 1.053 nan 8.240 nan 0.000 0.493 325 N N 1.638 120.406 118.700 0.113 0.000 2.558 325 N HA 0.167 4.906 4.740 -0.001 0.000 0.285 325 N C -1.098 174.515 175.510 0.173 0.000 1.112 325 N CA -0.487 52.647 53.050 0.140 0.000 0.857 325 N CB 1.332 39.910 38.487 0.151 0.000 1.376 325 N HN 0.524 nan 8.380 nan 0.000 0.526 326 Q N 1.393 121.283 119.800 0.151 0.000 2.314 326 Q HA 0.413 4.752 4.340 -0.001 0.000 0.258 326 Q C 0.318 176.419 176.000 0.168 0.000 0.954 326 Q CA -0.331 55.572 55.803 0.168 0.000 0.890 326 Q CB 1.356 30.185 28.738 0.152 0.000 1.210 326 Q HN 0.502 nan 8.270 nan 0.000 0.410 349 I N 2.436 123.015 120.570 0.016 0.000 2.226 349 I HA -0.210 3.960 4.170 -0.001 0.000 0.245 349 I C 2.326 178.458 176.117 0.025 0.000 1.100 349 I CA 1.408 62.726 61.300 0.029 0.000 1.374 349 I CB -0.184 37.836 38.000 0.033 0.000 1.057 349 I HN 0.712 nan 8.210 nan 0.000 0.413 350 M N 0.000 119.606 119.600 0.009 0.000 2.098 350 M HA -0.058 4.422 4.480 -0.001 0.000 0.262 350 M C 2.607 178.897 176.300 -0.017 0.000 1.072 350 M CA 1.754 57.051 55.300 -0.005 0.000 1.133 350 M CB -1.675 30.919 32.600 -0.011 0.000 1.344 350 M HN 0.294 nan 8.290 nan 0.000 0.414 351 A N -0.486 122.335 122.820 0.002 0.000 1.900 351 A HA -0.260 4.059 4.320 -0.001 0.000 0.225 351 A C 1.001 178.632 177.584 0.079 0.000 1.414 351 A CA 2.098 54.161 52.037 0.044 0.000 0.702 351 A CB -1.077 17.961 19.000 0.063 0.000 0.845 351 A HN 0.570 nan 8.150 nan 0.000 0.478 352 Y N -1.648 118.660 120.300 0.013 0.000 2.628 352 Y HA 0.489 5.039 4.550 -0.001 0.000 0.354 352 Y C 0.844 176.750 175.900 0.010 0.000 1.061 352 Y CA 0.205 58.314 58.100 0.015 0.000 1.251 352 Y CB 1.553 40.019 38.460 0.011 0.000 1.098 352 Y HN 0.205 nan 8.280 nan 0.000 0.626 353 S N 0.290 115.891 115.700 -0.165 0.000 2.612 353 S HA 0.255 4.725 4.470 -0.001 0.000 0.278 353 S C -0.064 174.402 174.600 -0.223 0.000 1.082 353 S CA 0.050 58.196 58.200 -0.090 0.000 1.185 353 S CB 0.213 63.396 63.200 -0.028 0.000 1.077 353 S HN 0.302 nan 8.310 nan 0.000 0.585 354 S N 1.161 116.647 115.700 -0.356 0.000 2.578 354 S HA 0.469 4.938 4.470 -0.001 0.000 0.283 354 S C 0.622 174.797 174.600 -0.708 0.000 1.195 354 S CA -0.413 57.575 58.200 -0.353 0.000 1.050 354 S CB 1.730 64.819 63.200 -0.185 0.000 1.012 354 S HN 0.384 nan 8.310 nan 0.000 0.511 355 T N 1.846 116.142 114.554 -0.429 0.000 2.925 355 T HA 0.098 4.447 4.350 -0.001 0.000 0.245 355 T C 0.362 174.996 174.700 -0.111 0.000 1.025 355 T CA 0.786 62.695 62.100 -0.319 0.000 1.149 355 T CB 0.131 68.953 68.868 -0.077 0.000 0.866 355 T HN 0.579 nan 8.240 nan 0.000 0.437 356 T N 3.369 117.887 114.554 -0.061 0.000 2.791 356 T HA 0.520 4.870 4.350 -0.001 0.000 0.288 356 T C -0.599 174.114 174.700 0.021 0.000 0.999 356 T CA -0.567 61.536 62.100 0.005 0.000 0.952 356 T CB 1.264 70.138 68.868 0.010 0.000 0.938 356 T HN 0.103 nan 8.240 nan 0.000 0.444 357 R N 3.029 123.568 120.500 0.065 0.000 2.343 357 R HA 0.599 4.939 4.340 -0.001 0.000 0.320 357 R C -0.860 175.502 176.300 0.103 0.000 0.956 357 R CA -0.723 55.461 56.100 0.140 0.000 0.836 357 R CB 1.506 31.940 30.300 0.224 0.000 1.151 357 R HN 0.476 nan 8.270 nan 0.000 0.450 358 L N 1.742 122.999 121.223 0.058 0.000 2.322 358 L HA 0.561 4.901 4.340 -0.001 0.000 0.281 358 L C 0.609 177.234 176.870 -0.408 0.000 1.014 358 L CA -0.942 53.836 54.840 -0.104 0.000 0.815 358 L CB 2.067 44.135 42.059 0.015 0.000 1.247 358 L HN 0.702 nan 8.230 nan 0.000 0.421 359 G N 2.023 110.413 108.800 -0.684 0.000 2.343 359 G HA2 0.640 4.600 3.960 -0.001 0.000 0.319 359 G HA3 0.640 4.600 3.960 -0.001 0.000 0.319 359 G C -1.195 173.405 174.900 -0.501 0.000 1.126 359 G CA -0.190 44.292 45.100 -1.030 0.000 0.889 359 G HN 0.239 nan 8.290 nan 0.000 0.457 360 F N 0.767 120.518 119.950 -0.331 0.000 2.469 360 F HA 0.603 5.129 4.527 -0.001 0.000 0.332 360 F C 0.577 176.354 175.800 -0.038 0.000 1.103 360 F CA -0.676 57.274 58.000 -0.084 0.000 0.979 360 F CB 2.681 41.681 39.000 0.000 0.000 1.137 360 F HN 0.194 nan 8.300 nan 0.000 0.463 361 K N 1.424 121.888 120.400 0.107 0.000 2.435 361 K HA 0.378 4.698 4.320 -0.001 0.000 0.251 361 K C -1.087 175.519 176.600 0.010 0.000 0.954 361 K CA -1.258 55.061 56.287 0.054 0.000 0.820 361 K CB 2.992 35.500 32.500 0.013 0.000 1.292 361 K HN 0.469 nan 8.250 nan 0.000 0.436 362 K N 0.762 121.157 120.400 -0.008 0.000 2.249 362 K HA 0.311 4.630 4.320 -0.001 0.000 0.280 362 K C -0.139 176.418 176.600 -0.073 0.000 1.033 362 K CA -0.235 56.017 56.287 -0.057 0.000 0.946 362 K CB 0.908 33.380 32.500 -0.047 0.000 1.005 362 K HN 0.773 nan 8.250 nan 0.000 0.469 363 G N 2.382 111.112 108.800 -0.118 0.000 2.971 363 G HA2 0.270 4.229 3.960 -0.001 0.000 0.235 363 G HA3 0.270 4.229 3.960 -0.001 0.000 0.235 363 G C -1.101 173.745 174.900 -0.091 0.000 1.351 363 G CA -0.590 44.446 45.100 -0.106 0.000 1.039 363 G HN 0.431 nan 8.290 nan 0.000 0.563 364 K N 0.353 120.706 120.400 -0.078 0.000 2.349 364 K HA 0.521 4.840 4.320 -0.001 0.000 0.288 364 K C 0.962 177.521 176.600 -0.069 0.000 1.058 364 K CA 1.225 57.477 56.287 -0.060 0.000 0.953 364 K CB 0.478 32.953 32.500 -0.042 0.000 0.997 364 K HN 1.135 nan 8.250 nan 0.000 0.477 365 G N 2.124 110.888 108.800 -0.060 0.000 2.536 365 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.280 365 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.280 365 G C 1.077 175.920 174.900 -0.095 0.000 1.152 365 G CA 0.173 45.238 45.100 -0.059 0.000 0.970 365 G HN 0.931 nan 8.290 nan 0.000 0.549 366 C N 0.690 119.924 119.300 -0.110 0.000 2.626 366 C HA 0.568 5.028 4.460 -0.001 0.000 0.266 366 C C 1.006 175.834 174.990 -0.270 0.000 1.317 366 C CA 0.194 59.104 59.018 -0.181 0.000 1.716 366 C CB -1.370 26.258 27.740 -0.186 0.000 1.819 366 C HN 0.562 nan 8.230 nan 0.000 0.578 367 Q N 1.623 121.288 119.800 -0.225 0.000 2.327 367 Q HA 0.500 4.839 4.340 -0.001 0.000 0.254 367 Q C -0.224 175.554 176.000 -0.370 0.000 0.952 367 Q CA 0.471 56.104 55.803 -0.283 0.000 0.884 367 Q CB 0.790 29.424 28.738 -0.173 0.000 1.224 367 Q HN 0.517 nan 8.270 nan 0.000 0.422 368 R N 1.605 121.741 120.500 -0.606 0.000 2.771 368 R HA 0.579 4.919 4.340 -0.001 0.000 0.274 368 R C -1.008 174.988 176.300 -0.506 0.000 0.987 368 R CA -0.795 54.905 56.100 -0.667 0.000 0.908 368 R CB 1.235 30.830 30.300 -1.175 0.000 1.213 368 R HN 0.542 nan 8.270 nan 0.000 0.468 369 L N 0.442 121.539 121.223 -0.210 0.000 2.334 369 L HA 0.619 4.959 4.340 -0.001 0.000 0.276 369 L C -0.291 176.531 176.870 -0.080 0.000 1.014 369 L CA -1.018 53.770 54.840 -0.087 0.000 0.815 369 L CB 2.069 44.079 42.059 -0.080 0.000 1.268 369 L HN 0.535 nan 8.230 nan 0.000 0.428 370 C N 3.746 122.963 119.300 -0.137 0.000 2.446 370 C HA 0.473 4.933 4.460 -0.001 0.000 0.329 370 C C -0.482 174.307 174.990 -0.336 0.000 1.166 370 C CA -0.714 58.005 59.018 -0.499 0.000 1.341 370 C CB 1.139 28.468 27.740 -0.687 0.000 1.970 370 C HN 0.905 nan 8.230 nan 0.000 0.452 371 K N 4.822 125.013 120.400 -0.348 0.000 2.259 371 K HA 0.689 5.008 4.320 -0.001 0.000 0.252 371 K C -1.062 175.427 176.600 -0.185 0.000 0.936 371 K CA -0.486 55.681 56.287 -0.200 0.000 0.810 371 K CB 1.825 34.248 32.500 -0.130 0.000 1.143 371 K HN 0.583 nan 8.250 nan 0.000 0.427 372 V N 5.057 124.909 119.914 -0.102 0.000 2.405 372 V HA 0.027 4.146 4.120 -0.001 0.000 0.264 372 V C 1.039 177.130 176.094 -0.004 0.000 1.048 372 V CA -0.174 62.093 62.300 -0.054 0.000 0.966 372 V CB 1.027 32.833 31.823 -0.028 0.000 1.015 372 V HN 0.704 nan 8.190 nan 0.000 0.477 373 V N 3.168 123.104 119.914 0.037 0.000 2.685 373 V HA 0.142 4.262 4.120 -0.001 0.000 0.244 373 V C 0.463 176.630 176.094 0.121 0.000 1.054 373 V CA 1.170 63.539 62.300 0.114 0.000 1.076 373 V CB -0.034 31.947 31.823 0.263 0.000 0.725 373 V HN 0.864 nan 8.190 nan 0.000 0.467 374 D N -0.954 119.519 120.400 0.122 0.000 2.859 374 D HA 0.606 5.246 4.640 -0.001 0.000 0.223 374 D C -1.031 175.340 176.300 0.118 0.000 1.218 374 D CA 0.220 54.300 54.000 0.133 0.000 0.850 374 D CB 2.445 43.350 40.800 0.175 0.000 1.656 374 D HN 0.109 nan 8.370 nan 0.000 0.484 375 S N 0.988 116.766 115.700 0.130 0.000 2.578 375 S HA 0.357 4.827 4.470 -0.001 0.000 0.285 375 S C -2.500 172.171 174.600 0.117 0.000 1.126 375 S CA -0.749 57.521 58.200 0.117 0.000 0.878 375 S CB 1.671 64.910 63.200 0.064 0.000 1.091 375 S HN 0.240 nan 8.310 nan 0.000 0.450 376 P HA 0.244 nan 4.420 nan 0.000 0.251 376 P C 1.016 178.342 177.300 0.042 0.000 1.223 376 P CA 0.483 63.633 63.100 0.083 0.000 0.796 376 P CB -0.352 31.410 31.700 0.103 0.000 1.068 377 C N -3.814 115.508 119.300 0.037 0.000 4.100 377 C HA 0.441 4.901 4.460 -0.001 0.000 0.393 377 C C 0.548 175.543 174.990 0.008 0.000 1.619 377 C CA -0.646 58.377 59.018 0.009 0.000 1.976 377 C CB -0.728 27.008 27.740 -0.006 0.000 2.992 377 C HN -0.069 nan 8.230 nan 0.000 0.694 378 L N 3.455 124.689 121.223 0.018 0.000 2.334 378 L HA 0.524 4.863 4.340 -0.001 0.000 0.277 378 L C -1.943 174.935 176.870 0.012 0.000 1.075 378 L CA -1.435 53.412 54.840 0.012 0.000 0.804 378 L CB 1.118 43.184 42.059 0.010 0.000 1.174 378 L HN 0.102 nan 8.230 nan 0.000 0.438 379 P HA 0.051 nan 4.420 nan 0.000 0.275 379 P C -0.916 176.387 177.300 0.004 0.000 1.228 379 P CA -0.443 62.661 63.100 0.006 0.000 0.786 379 P CB 0.678 32.380 31.700 0.003 0.000 0.927 380 E N 1.197 121.402 120.200 0.008 0.000 1.858 380 E HA 0.299 4.648 4.350 -0.001 0.000 0.278 380 E C 0.237 176.835 176.600 -0.003 0.000 1.172 380 E CA 0.165 56.569 56.400 0.007 0.000 1.127 380 E CB -0.293 29.417 29.700 0.016 0.000 1.084 380 E HN 0.432 nan 8.360 nan 0.000 0.455 381 A N 2.844 125.656 122.820 -0.013 0.000 2.346 381 A HA 0.617 4.937 4.320 -0.001 0.000 0.313 381 A C -0.217 177.344 177.584 -0.038 0.000 1.140 381 A CA -0.795 51.230 52.037 -0.019 0.000 0.826 381 A CB 1.293 20.284 19.000 -0.015 0.000 1.332 381 A HN 0.444 nan 8.150 nan 0.000 0.457 382 E N -1.127 119.050 120.200 -0.037 0.000 2.340 382 E HA 0.627 4.976 4.350 -0.001 0.000 0.273 382 E C -0.578 176.000 176.600 -0.037 0.000 0.891 382 E CA -0.840 55.526 56.400 -0.056 0.000 0.757 382 E CB 1.597 31.263 29.700 -0.056 0.000 1.231 382 E HN 1.103 nan 8.360 nan 0.000 0.439 383 C N -0.193 119.086 119.300 -0.035 0.000 3.256 383 C HA 0.901 5.360 4.460 -0.001 0.000 0.361 383 C C -0.852 174.159 174.990 0.034 0.000 1.665 383 C CA -0.621 58.399 59.018 0.004 0.000 1.445 383 C CB 0.791 28.541 27.740 0.016 0.000 2.144 383 C HN 0.594 nan 8.230 nan 0.000 0.448 384 V N 1.604 121.557 119.914 0.065 0.000 2.588 384 V HA 0.730 4.850 4.120 -0.001 0.000 0.304 384 V C -0.436 175.746 176.094 0.147 0.000 1.042 384 V CA -0.064 62.268 62.300 0.053 0.000 0.877 384 V CB 1.103 32.922 31.823 -0.006 0.000 0.996 384 V HN 0.981 nan 8.190 nan 0.000 0.425 385 F N 2.552 122.483 119.950 -0.033 0.000 2.664 385 F HA 1.050 5.576 4.527 -0.001 0.000 0.329 385 F C -0.172 175.595 175.800 -0.054 0.000 1.090 385 F CA -1.059 56.932 58.000 -0.016 0.000 0.978 385 F CB 1.719 40.724 39.000 0.008 0.000 1.378 385 F HN 0.623 nan 8.300 nan 0.000 0.495 386 A N 0.989 123.778 122.820 -0.053 0.000 2.479 386 A HA 0.835 5.155 4.320 -0.001 0.000 0.296 386 A C -1.843 175.493 177.584 -0.414 0.000 1.121 386 A CA -0.806 50.999 52.037 -0.387 0.000 0.743 386 A CB 1.455 20.196 19.000 -0.432 0.000 1.323 386 A HN 0.631 nan 8.150 nan 0.000 0.415 387 I N 0.757 120.969 120.570 -0.598 0.000 2.404 387 I HA 0.582 4.751 4.170 -0.001 0.000 0.293 387 I C -1.159 174.594 176.117 -0.605 0.000 0.992 387 I CA -0.096 60.961 61.300 -0.405 0.000 1.149 387 I CB 1.187 39.066 38.000 -0.201 0.000 1.315 387 I HN 0.515 nan 8.210 nan 0.000 0.446 388 Y N 2.746 123.070 120.300 0.039 0.000 2.605 388 Y HA 0.328 4.878 4.550 -0.000 0.000 0.343 388 Y C 1.276 177.180 175.900 0.006 0.000 1.036 388 Y CA -0.963 57.146 58.100 0.015 0.000 1.065 388 Y CB 0.948 39.418 38.460 0.016 0.000 1.288 388 Y HN 0.552 nan 8.280 nan 0.000 0.481 389 E N 0.955 121.260 120.200 0.176 0.000 2.273 389 E HA -0.215 4.135 4.350 -0.001 0.000 0.198 389 E C -0.171 176.471 176.600 0.069 0.000 1.002 389 E CA 1.744 58.190 56.400 0.076 0.000 0.828 389 E CB -0.010 29.718 29.700 0.047 0.000 0.747 389 E HN 0.809 nan 8.360 nan 0.000 0.491 390 D N -1.084 119.380 120.400 0.106 0.000 2.643 390 D HA 0.302 4.942 4.640 -0.001 0.000 0.244 390 D C 0.577 176.961 176.300 0.140 0.000 1.257 390 D CA 0.262 54.312 54.000 0.084 0.000 0.831 390 D CB 0.106 40.920 40.800 0.023 0.000 1.043 390 D HN 0.221 nan 8.370 nan 0.000 0.488 391 G N -0.930 107.968 108.800 0.163 0.000 2.566 391 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.599 391 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.599 391 G C -0.798 174.232 174.900 0.217 0.000 1.292 391 G CA -0.544 44.676 45.100 0.199 0.000 0.922 391 G HN 0.298 nan 8.290 nan 0.000 0.514 392 V N 1.295 121.340 119.914 0.218 0.000 2.637 392 V HA 0.608 4.728 4.120 -0.001 0.000 0.296 392 V C 1.388 177.643 176.094 0.269 0.000 1.046 392 V CA 1.585 64.020 62.300 0.226 0.000 1.066 392 V CB 0.730 32.662 31.823 0.181 0.000 0.968 392 V HN 1.988 nan 8.190 nan 0.000 0.483 393 G N 3.563 112.538 108.800 0.290 0.000 2.782 393 G HA2 0.444 4.404 3.960 -0.001 0.000 0.304 393 G HA3 0.444 4.404 3.960 -0.001 0.000 0.304 393 G C -1.604 173.485 174.900 0.316 0.000 1.315 393 G CA -0.613 44.690 45.100 0.339 0.000 0.791 393 G HN 0.520 nan 8.290 nan 0.000 0.519 394 D N 1.061 121.643 120.400 0.304 0.000 2.268 394 D HA 0.427 5.067 4.640 -0.001 0.000 0.249 394 D C -2.095 174.358 176.300 0.255 0.000 1.008 394 D CA -0.783 53.356 54.000 0.231 0.000 0.939 394 D CB 2.020 42.914 40.800 0.157 0.000 1.170 394 D HN 0.125 nan 8.370 nan 0.000 0.468 395 P HA 0.031 nan 4.420 nan 0.000 0.268 395 P C 0.290 177.675 177.300 0.142 0.000 1.205 395 P CA -0.184 63.004 63.100 0.145 0.000 0.771 395 P CB 0.962 32.698 31.700 0.060 0.000 0.858 396 R N 0.000 120.592 120.500 0.153 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 396 R CA 0.000 56.146 56.100 0.077 0.000 0.921 396 R CB 0.000 30.336 30.300 0.060 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535