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 1tlf_1_C DATA FIRST_RESID 61 DATA SEQUENCE SLLIGVATSS LALHAPSQIV AAIKSRADQL GASVVVSMVE RSGVEACKAA DATA SEQUENCE VHNLLAQRVS GLIINYPLDD QDAIAVEAAC TNVPALFLDV SDQTPINSII DATA SEQUENCE FSHEDGTRLG VEHLVALGHQ QIALLAGPLS SVSARLRLAG WHKYLTRNQI DATA SEQUENCE QPIAEREGDW SAMSGFQQTM QMLNEGIVPT AMLVANDQMA LGAMRAITES DATA SEQUENCE GLRVGADISV VGYDDTEDSS CYIPPLTTIK QDFRLLGQTS VDRLLQLSQG DATA SEQUENCE QAVKGNQLLP VSLVKRKTTL APNTQTASPR ALADSLMQLA RQVSRL 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 61 S HA 0.000 nan 4.470 nan 0.000 0.327 61 S C 0.000 174.597 174.600 -0.005 0.000 1.055 61 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 61 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 62 L N 3.388 124.609 121.223 -0.004 0.000 2.536 62 L HA 0.069 nan 4.340 nan 0.000 0.282 62 L C -0.752 176.114 176.870 -0.007 0.000 1.147 62 L CA 0.052 54.889 54.840 -0.005 0.000 0.936 62 L CB -0.425 41.632 42.059 -0.004 0.000 1.279 62 L HN 0.031 8.259 8.230 -0.004 0.000 0.461 63 L N 5.250 126.468 121.223 -0.008 0.000 2.534 63 L HA -0.030 nan 4.340 nan 0.000 0.271 63 L C -1.162 175.700 176.870 -0.013 0.000 1.178 63 L CA 0.344 55.178 54.840 -0.011 0.000 0.907 63 L CB 0.516 42.568 42.059 -0.012 0.000 1.164 63 L HN 0.120 8.346 8.230 -0.008 0.000 0.482 64 I N 5.087 125.648 120.570 -0.015 0.000 2.412 64 I HA 0.466 nan 4.170 nan 0.000 0.296 64 I C -1.379 174.724 176.117 -0.024 0.000 0.987 64 I CA -1.377 59.912 61.300 -0.019 0.000 1.180 64 I CB 2.618 40.608 38.000 -0.016 0.000 1.340 64 I HN 0.759 8.841 8.210 -0.013 0.119 0.455 65 G N 4.525 113.306 108.800 -0.032 0.000 2.478 65 G HA2 0.570 nan 3.960 nan 0.000 0.317 65 G HA3 0.570 nan 3.960 nan 0.000 0.317 65 G C -2.441 172.431 174.900 -0.047 0.000 1.259 65 G CA -1.360 43.719 45.100 -0.036 0.000 0.933 65 G HN 0.039 8.308 8.290 -0.035 0.000 0.478 66 V N 3.743 123.633 119.914 -0.041 0.000 2.384 66 V HA 0.670 nan 4.120 nan 0.000 0.287 66 V C -1.605 174.463 176.094 -0.043 0.000 1.020 66 V CA -2.384 59.891 62.300 -0.043 0.000 0.850 66 V CB 1.628 33.435 31.823 -0.027 0.000 0.987 66 V HN 0.513 8.682 8.190 -0.034 0.000 0.436 67 A N 8.211 130.998 122.820 -0.055 0.000 2.260 67 A HA 0.650 nan 4.320 nan 0.000 0.312 67 A C -2.201 175.381 177.584 -0.003 0.000 1.321 67 A CA -1.506 50.498 52.037 -0.054 0.000 0.928 67 A CB 1.031 19.979 19.000 -0.086 0.000 1.158 67 A HN 0.444 8.551 8.150 -0.072 0.000 0.542 68 T N 4.249 118.810 114.554 0.011 0.000 2.856 68 T HA 0.601 nan 4.350 nan 0.000 0.283 68 T C -1.209 173.566 174.700 0.125 0.000 1.008 68 T CA -2.313 59.824 62.100 0.062 0.000 0.997 68 T CB 1.771 70.651 68.868 0.021 0.000 0.992 68 T HN 0.356 8.588 8.240 -0.013 0.000 0.454 69 S N 5.288 121.122 115.700 0.223 0.000 2.617 69 S HA 0.164 nan 4.470 nan 0.000 0.269 69 S C -0.136 174.543 174.600 0.132 0.000 1.292 69 S CA -1.328 57.057 58.200 0.308 0.000 1.010 69 S CB 0.903 64.252 63.200 0.250 0.000 0.944 69 S HN 0.043 8.456 8.310 0.172 0.000 0.536 70 S N 2.729 118.508 115.700 0.133 0.000 4.045 70 S HA -0.263 nan 4.470 nan 0.000 0.485 70 S C 0.840 175.465 174.600 0.042 0.000 1.097 70 S CA 0.596 58.843 58.200 0.079 0.000 0.930 70 S CB 0.255 63.508 63.200 0.088 0.000 0.685 70 S HN 0.339 8.763 8.310 0.191 0.000 0.484 71 L N 7.255 128.497 121.223 0.032 0.000 2.610 71 L HA -0.121 nan 4.340 nan 0.000 0.232 71 L C 0.865 177.758 176.870 0.039 0.000 1.149 71 L CA 0.862 55.713 54.840 0.017 0.000 0.872 71 L CB -0.758 41.306 42.059 0.008 0.000 0.992 71 L HN 0.575 8.826 8.230 0.035 0.000 0.447 72 A N -0.357 122.496 122.820 0.054 0.000 2.019 72 A HA -0.184 nan 4.320 nan 0.000 0.219 72 A C -0.102 177.557 177.584 0.125 0.000 1.164 72 A CA 2.058 54.143 52.037 0.080 0.000 0.644 72 A CB -0.060 18.982 19.000 0.070 0.000 0.805 72 A HN -0.432 7.664 8.150 0.050 0.084 0.449 73 L N -3.453 117.812 121.223 0.071 0.000 2.395 73 L HA -0.056 nan 4.340 nan 0.000 0.269 73 L C 0.974 177.912 176.870 0.112 0.000 1.133 73 L CA -0.214 54.635 54.840 0.015 0.000 0.812 73 L CB 0.476 42.480 42.059 -0.092 0.000 1.125 73 L HN -0.880 7.344 8.230 0.041 0.030 0.452 74 H N 1.971 120.996 119.070 -0.075 0.000 2.395 74 H HA -0.216 nan 4.556 nan 0.000 0.299 74 H C 1.913 177.123 175.328 -0.196 0.000 1.070 74 H CA 2.026 58.020 56.048 -0.089 0.000 1.356 74 H CB -0.715 29.032 29.762 -0.026 0.000 1.401 74 H HN 0.665 9.162 8.280 -0.205 -0.340 0.524 75 A N 0.039 122.742 122.820 -0.195 0.000 1.865 75 A HA -0.202 nan 4.320 nan 0.000 0.217 75 A C -0.827 176.428 177.584 -0.548 0.000 1.191 75 A CA 4.534 56.223 52.037 -0.580 0.000 0.623 75 A CB -2.450 16.160 19.000 -0.650 0.000 0.826 75 A HN 0.632 8.676 8.150 -0.178 0.000 0.444 76 P HA -0.306 nan 4.420 nan 0.000 0.214 76 P C 1.795 179.005 177.300 -0.149 0.000 1.163 76 P CA 3.225 66.202 63.100 -0.206 0.000 0.889 76 P CB -0.692 30.936 31.700 -0.119 0.000 0.790 77 S N -2.377 113.261 115.700 -0.104 0.000 2.402 77 S HA -0.445 nan 4.470 nan 0.000 0.233 77 S C 2.541 177.094 174.600 -0.078 0.000 1.030 77 S CA 3.790 61.950 58.200 -0.067 0.000 1.003 77 S CB -0.817 62.360 63.200 -0.040 0.000 0.813 77 S HN -0.554 7.704 8.310 -0.087 0.000 0.477 78 Q N 1.675 121.398 119.800 -0.129 0.000 2.245 78 Q HA -0.166 nan 4.340 nan 0.000 0.201 78 Q C 2.723 178.686 176.000 -0.062 0.000 0.955 78 Q CA 2.539 58.290 55.803 -0.087 0.000 0.870 78 Q CB 0.083 28.772 28.738 -0.082 0.000 0.945 78 Q HN -0.355 7.693 8.270 -0.183 0.113 0.461 79 I N 1.003 121.478 120.570 -0.157 0.000 2.141 79 I HA -0.460 nan 4.170 nan 0.000 0.236 79 I C 1.492 177.607 176.117 -0.004 0.000 1.071 79 I CA 4.542 65.814 61.300 -0.047 0.000 1.345 79 I CB 0.005 37.949 38.000 -0.093 0.000 1.066 79 I HN 0.190 8.108 8.210 -0.260 0.135 0.406 80 V N -0.421 119.475 119.914 -0.030 0.000 2.278 80 V HA -0.572 nan 4.120 nan 0.000 0.251 80 V C 1.776 177.869 176.094 -0.002 0.000 1.062 80 V CA 4.615 66.907 62.300 -0.013 0.000 1.038 80 V CB -1.250 30.561 31.823 -0.020 0.000 0.646 80 V HN 0.446 8.501 8.190 -0.059 0.099 0.447 81 A N -2.723 120.094 122.820 -0.005 0.000 1.940 81 A HA -0.340 nan 4.320 nan 0.000 0.219 81 A C 1.821 179.417 177.584 0.020 0.000 1.176 81 A CA 3.299 55.339 52.037 0.004 0.000 0.631 81 A CB -0.953 18.048 19.000 0.000 0.000 0.814 81 A HN -0.183 7.956 8.150 -0.019 0.001 0.446 82 A N -0.845 121.998 122.820 0.039 0.000 1.897 82 A HA -0.243 nan 4.320 nan 0.000 0.215 82 A C 1.974 179.583 177.584 0.042 0.000 1.181 82 A CA 2.726 54.797 52.037 0.056 0.000 0.620 82 A CB -0.798 18.262 19.000 0.101 0.000 0.821 82 A HN -0.322 7.731 8.150 0.040 0.121 0.443 83 I N -1.291 119.300 120.570 0.036 0.000 2.208 83 I HA -0.607 nan 4.170 nan 0.000 0.245 83 I C 1.957 178.082 176.117 0.014 0.000 1.097 83 I CA 4.264 65.578 61.300 0.023 0.000 1.363 83 I CB -0.448 37.561 38.000 0.015 0.000 1.051 83 I HN 0.086 8.230 8.210 0.037 0.088 0.413 84 K N -0.542 119.865 120.400 0.010 0.000 2.103 84 K HA -0.315 nan 4.320 nan 0.000 0.204 84 K C 2.417 179.021 176.600 0.008 0.000 1.052 84 K CA 2.899 59.190 56.287 0.006 0.000 0.945 84 K CB -0.491 32.010 32.500 0.002 0.000 0.722 84 K HN -0.079 8.088 8.250 0.011 0.089 0.443 85 S N -0.131 115.577 115.700 0.013 0.000 2.353 85 S HA -0.299 nan 4.470 nan 0.000 0.222 85 S C 2.493 177.100 174.600 0.013 0.000 1.035 85 S CA 3.314 61.523 58.200 0.014 0.000 1.025 85 S CB -0.104 63.109 63.200 0.021 0.000 0.902 85 S HN -0.151 8.075 8.310 0.017 0.094 0.440 86 R N 1.068 121.578 120.500 0.016 0.000 2.066 86 R HA -0.241 nan 4.340 nan 0.000 0.232 86 R C 1.910 178.215 176.300 0.008 0.000 1.131 86 R CA 2.010 58.118 56.100 0.013 0.000 0.955 86 R CB -0.542 29.768 30.300 0.017 0.000 0.851 86 R HN -0.123 8.160 8.270 0.021 0.000 0.432 87 A N -0.844 121.981 122.820 0.007 0.000 1.903 87 A HA -0.380 nan 4.320 nan 0.000 0.219 87 A C 2.137 179.722 177.584 0.002 0.000 1.191 87 A CA 3.197 55.236 52.037 0.003 0.000 0.638 87 A CB -1.032 17.969 19.000 0.001 0.000 0.823 87 A HN 0.005 8.160 8.150 0.009 0.000 0.451 88 D N -2.983 117.419 120.400 0.003 0.000 2.182 88 D HA -0.273 nan 4.640 nan 0.000 0.201 88 D C 3.307 179.609 176.300 0.002 0.000 0.986 88 D CA 3.107 57.108 54.000 0.002 0.000 0.847 88 D CB -0.511 40.291 40.800 0.002 0.000 0.942 88 D HN -0.267 8.105 8.370 0.004 0.001 0.467 89 Q N -0.256 119.546 119.800 0.004 0.000 2.016 89 Q HA -0.235 nan 4.340 nan 0.000 0.200 89 Q C 1.854 177.855 176.000 0.002 0.000 0.978 89 Q CA 2.478 58.283 55.803 0.003 0.000 0.833 89 Q CB 0.225 28.965 28.738 0.005 0.000 0.895 89 Q HN -0.140 7.982 8.270 0.005 0.150 0.427 90 L N -4.393 116.831 121.223 0.002 0.000 2.675 90 L HA 0.074 nan 4.340 nan 0.000 0.239 90 L C 0.208 177.078 176.870 0.000 0.000 1.151 90 L CA -0.274 54.567 54.840 0.001 0.000 0.905 90 L CB -1.115 40.944 42.059 0.001 0.000 1.057 90 L HN -0.511 7.721 8.230 0.003 0.000 0.435 91 G N -2.664 106.136 108.800 0.000 0.000 2.180 91 G HA2 -0.475 nan 3.960 nan 0.000 0.263 91 G HA3 -0.475 nan 3.960 nan 0.000 0.263 91 G C -0.338 174.561 174.900 -0.002 0.000 0.989 91 G CA 0.611 45.710 45.100 -0.001 0.000 0.692 91 G HN -0.634 7.425 8.290 0.001 0.232 0.526 92 A N 0.762 123.581 122.820 -0.002 0.000 2.296 92 A HA 0.454 nan 4.320 nan 0.000 0.276 92 A C -1.446 176.136 177.584 -0.004 0.000 1.356 92 A CA -0.093 51.942 52.037 -0.003 0.000 0.825 92 A CB 1.458 20.456 19.000 -0.003 0.000 1.308 92 A HN 0.059 8.149 8.150 -0.001 0.060 0.515 93 S N -2.542 113.155 115.700 -0.005 0.000 2.579 93 S HA 0.324 nan 4.470 nan 0.000 0.272 93 S C -1.746 172.849 174.600 -0.008 0.000 1.141 93 S CA -0.885 57.311 58.200 -0.006 0.000 0.843 93 S CB 3.308 66.504 63.200 -0.007 0.000 1.122 93 S HN 0.007 8.314 8.310 -0.006 0.000 0.468 94 V N 1.239 121.148 119.914 -0.009 0.000 2.709 94 V HA 0.655 nan 4.120 nan 0.000 0.308 94 V C -1.550 174.536 176.094 -0.013 0.000 1.062 94 V CA -0.890 61.403 62.300 -0.011 0.000 0.901 94 V CB 2.769 34.587 31.823 -0.009 0.000 1.003 94 V HN 0.320 8.505 8.190 -0.008 0.000 0.425 95 V N 6.347 126.251 119.914 -0.017 0.000 2.531 95 V HA 0.539 nan 4.120 nan 0.000 0.301 95 V C -1.911 174.171 176.094 -0.021 0.000 1.034 95 V CA -1.487 60.802 62.300 -0.018 0.000 0.865 95 V CB 4.294 36.105 31.823 -0.020 0.000 0.995 95 V HN 0.641 8.819 8.190 -0.019 0.000 0.424 96 V N 8.766 128.669 119.914 -0.019 0.000 2.427 96 V HA 0.630 nan 4.120 nan 0.000 0.286 96 V C -1.216 174.864 176.094 -0.023 0.000 1.034 96 V CA -1.564 60.724 62.300 -0.020 0.000 0.893 96 V CB 1.156 32.970 31.823 -0.016 0.000 0.982 96 V HN 0.175 8.355 8.190 -0.017 0.000 0.452 97 S N 5.745 121.429 115.700 -0.028 0.000 2.532 97 S HA 0.359 nan 4.470 nan 0.000 0.299 97 S C -1.341 173.238 174.600 -0.036 0.000 1.105 97 S CA -1.213 56.967 58.200 -0.033 0.000 1.018 97 S CB 2.406 65.582 63.200 -0.041 0.000 1.021 97 S HN 0.753 9.045 8.310 -0.030 0.000 0.483 98 M N 5.718 125.300 119.600 -0.031 0.000 2.063 98 M HA 0.201 nan 4.480 nan 0.000 0.348 98 M C -0.498 175.769 176.300 -0.054 0.000 1.180 98 M CA -0.791 54.494 55.300 -0.026 0.000 1.059 98 M CB 0.939 33.536 32.600 -0.004 0.000 1.544 98 M HN 0.239 8.512 8.290 -0.027 0.000 0.447 99 V N 5.565 125.414 119.914 -0.109 0.000 2.694 99 V HA -0.196 nan 4.120 nan 0.000 0.306 99 V C 0.331 176.361 176.094 -0.108 0.000 1.054 99 V CA 1.034 63.198 62.300 -0.226 0.000 1.161 99 V CB -0.220 31.208 31.823 -0.659 0.000 0.916 99 V HN -0.088 8.048 8.190 -0.090 0.000 0.490 100 E N 5.896 126.044 120.200 -0.087 0.000 2.510 100 E HA -0.242 nan 4.350 nan 0.000 0.202 100 E C -0.351 176.275 176.600 0.045 0.000 1.072 100 E CA 0.760 57.152 56.400 -0.013 0.000 0.883 100 E CB -0.188 29.504 29.700 -0.014 0.000 0.818 100 E HN 0.451 8.737 8.360 -0.124 0.000 0.548 101 R N -5.043 115.513 120.500 0.092 0.000 3.201 101 R HA -0.217 nan 4.340 nan 0.000 0.254 101 R C -0.825 175.606 176.300 0.218 0.000 0.978 101 R CA 0.762 57.023 56.100 0.268 0.000 0.661 101 R CB -2.316 28.110 30.300 0.209 0.000 1.170 101 R HN 0.179 8.324 8.270 -0.006 0.122 0.430 102 S N -2.373 113.450 115.700 0.205 0.000 3.093 102 S HA 0.154 nan 4.470 nan 0.000 0.251 102 S C 0.080 174.770 174.600 0.150 0.000 0.905 102 S CA -0.089 58.196 58.200 0.141 0.000 1.124 102 S CB 1.090 64.334 63.200 0.074 0.000 1.124 102 S HN -0.377 8.041 8.310 0.180 0.000 0.574 103 G N 0.964 109.924 108.800 0.265 0.000 2.627 103 G HA2 -0.266 nan 3.960 nan 0.000 0.214 103 G HA3 -0.266 nan 3.960 nan 0.000 0.214 103 G C -0.015 174.991 174.900 0.176 0.000 1.331 103 G CA -0.526 44.713 45.100 0.231 0.000 0.891 103 G HN -0.564 7.995 8.290 0.448 0.000 0.539 104 V N 0.349 120.341 119.914 0.130 0.000 2.222 104 V HA -0.479 nan 4.120 nan 0.000 0.252 104 V C 1.853 177.973 176.094 0.042 0.000 1.060 104 V CA 3.150 65.504 62.300 0.090 0.000 1.027 104 V CB -0.488 31.373 31.823 0.064 0.000 0.644 104 V HN 0.432 8.694 8.190 0.121 0.000 0.448 105 E N 0.446 120.664 120.200 0.030 0.000 2.086 105 E HA -0.475 nan 4.350 nan 0.000 0.200 105 E C 2.022 178.616 176.600 -0.011 0.000 1.012 105 E CA 3.032 59.438 56.400 0.010 0.000 0.812 105 E CB -1.280 28.428 29.700 0.013 0.000 0.743 105 E HN 0.218 8.602 8.360 0.039 0.000 0.453 106 A N -0.494 122.311 122.820 -0.024 0.000 1.873 106 A HA -0.197 nan 4.320 nan 0.000 0.215 106 A C 2.360 179.850 177.584 -0.156 0.000 1.186 106 A CA 2.984 54.976 52.037 -0.074 0.000 0.616 106 A CB -0.964 17.993 19.000 -0.072 0.000 0.823 106 A HN -0.419 7.732 8.150 0.002 0.000 0.442 107 C N -1.122 118.055 119.300 -0.205 0.000 2.432 107 C HA -0.378 nan 4.460 nan 0.000 0.277 107 C C 2.045 176.973 174.990 -0.102 0.000 1.249 107 C CA 3.757 62.619 59.018 -0.260 0.000 1.725 107 C CB -1.701 25.963 27.740 -0.127 0.000 2.028 107 C HN 0.055 8.142 8.230 -0.130 0.065 0.477 108 K N -0.942 119.437 120.400 -0.036 0.000 2.097 108 K HA -0.381 nan 4.320 nan 0.000 0.206 108 K C 2.378 178.982 176.600 0.007 0.000 1.049 108 K CA 3.381 59.665 56.287 -0.006 0.000 0.933 108 K CB -0.204 32.295 32.500 -0.002 0.000 0.717 108 K HN 0.533 8.554 8.250 -0.031 0.210 0.442 109 A N -1.595 121.227 122.820 0.003 0.000 1.969 109 A HA -0.132 nan 4.320 nan 0.000 0.218 109 A C 1.804 179.409 177.584 0.034 0.000 1.169 109 A CA 2.701 54.764 52.037 0.044 0.000 0.635 109 A CB -0.930 18.082 19.000 0.020 0.000 0.810 109 A HN -0.110 8.029 8.150 -0.020 0.000 0.445 110 A N -1.273 121.531 122.820 -0.026 0.000 1.858 110 A HA -0.299 nan 4.320 nan 0.000 0.216 110 A C 1.999 179.572 177.584 -0.019 0.000 1.190 110 A CA 3.238 55.248 52.037 -0.045 0.000 0.617 110 A CB -0.674 18.264 19.000 -0.104 0.000 0.827 110 A HN -0.494 7.609 8.150 -0.056 0.014 0.443 111 V N -1.004 118.903 119.914 -0.011 0.000 2.332 111 V HA -0.558 nan 4.120 nan 0.000 0.248 111 V C 1.612 177.748 176.094 0.069 0.000 1.055 111 V CA 4.920 67.223 62.300 0.005 0.000 1.038 111 V CB -1.278 30.544 31.823 -0.001 0.000 0.651 111 V HN -0.363 7.811 8.190 -0.027 0.000 0.450 112 H N -0.036 119.015 119.070 -0.032 0.000 2.387 112 H HA -0.469 nan 4.556 nan 0.000 0.299 112 H C 2.038 177.351 175.328 -0.024 0.000 1.099 112 H CA 3.489 59.524 56.048 -0.022 0.000 1.315 112 H CB 0.091 29.842 29.762 -0.018 0.000 1.380 112 H HN -0.222 8.143 8.280 0.154 0.008 0.513 113 N N -0.434 118.257 118.700 -0.015 0.000 2.142 113 N HA -0.294 nan 4.740 nan 0.000 0.186 113 N C 2.302 177.774 175.510 -0.063 0.000 1.023 113 N CA 2.921 55.920 53.050 -0.086 0.000 0.852 113 N CB -0.451 38.003 38.487 -0.055 0.000 0.998 113 N HN -0.402 7.908 8.380 0.041 0.095 0.424 114 L N -1.011 120.193 121.223 -0.032 0.000 2.083 114 L HA -0.385 nan 4.340 nan 0.000 0.209 114 L C 1.677 178.534 176.870 -0.023 0.000 1.083 114 L CA 3.006 57.829 54.840 -0.029 0.000 0.752 114 L CB -0.259 41.782 42.059 -0.029 0.000 0.899 114 L HN -0.197 7.947 8.230 -0.019 0.075 0.433 115 L N -2.327 118.893 121.223 -0.005 0.000 2.017 115 L HA -0.394 nan 4.340 nan 0.000 0.208 115 L C 2.145 179.005 176.870 -0.016 0.000 1.073 115 L CA 3.009 57.853 54.840 0.008 0.000 0.745 115 L CB -0.617 41.478 42.059 0.060 0.000 0.894 115 L HN 0.016 8.238 8.230 0.011 0.014 0.432 116 A N -2.697 120.091 122.820 -0.053 0.000 2.186 116 A HA -0.259 nan 4.320 nan 0.000 0.219 116 A C 1.250 178.803 177.584 -0.051 0.000 1.159 116 A CA 2.524 54.517 52.037 -0.073 0.000 0.680 116 A CB -0.962 17.955 19.000 -0.140 0.000 0.787 116 A HN -0.315 7.791 8.150 -0.074 0.000 0.467 117 Q N -1.982 117.793 119.800 -0.041 0.000 2.451 117 Q HA -0.068 nan 4.340 nan 0.000 0.206 117 Q C 0.174 176.160 176.000 -0.023 0.000 0.947 117 Q CA -0.149 55.635 55.803 -0.032 0.000 0.937 117 Q CB 0.499 29.219 28.738 -0.031 0.000 1.025 117 Q HN -0.593 7.446 8.270 -0.040 0.208 0.511 118 R N -4.180 116.308 120.500 -0.019 0.000 3.773 118 R HA -0.390 nan 4.340 nan 0.000 0.382 118 R C -1.807 174.486 176.300 -0.011 0.000 1.115 118 R CA 0.205 56.297 56.100 -0.013 0.000 0.949 118 R CB -1.672 28.620 30.300 -0.012 0.000 1.576 118 R HN -0.150 7.952 8.270 -0.019 0.156 0.515 119 V N -0.366 119.540 119.914 -0.013 0.000 2.557 119 V HA -0.149 nan 4.120 nan 0.000 0.301 119 V C 1.099 177.187 176.094 -0.011 0.000 1.026 119 V CA 1.502 63.794 62.300 -0.014 0.000 1.137 119 V CB 0.148 31.960 31.823 -0.018 0.000 0.917 119 V HN -0.231 7.916 8.190 -0.015 0.034 0.484 120 S N 7.504 123.197 115.700 -0.011 0.000 2.395 120 S HA 0.013 nan 4.470 nan 0.000 0.225 120 S C -0.051 174.544 174.600 -0.009 0.000 1.027 120 S CA 1.877 60.072 58.200 -0.008 0.000 0.965 120 S CB 0.903 64.098 63.200 -0.007 0.000 0.812 120 S HN 0.489 8.792 8.310 -0.012 0.000 0.482 121 G N -2.412 106.379 108.800 -0.015 0.000 2.649 121 G HA2 0.528 nan 3.960 nan 0.000 0.290 121 G HA3 0.528 nan 3.960 nan 0.000 0.290 121 G C -3.350 171.529 174.900 -0.036 0.000 1.426 121 G CA 0.235 45.322 45.100 -0.021 0.000 0.794 121 G HN -0.859 7.421 8.290 -0.018 0.000 0.483 122 L N -1.454 119.735 121.223 -0.056 0.000 2.401 122 L HA 0.881 nan 4.340 nan 0.000 0.266 122 L C -1.560 175.238 176.870 -0.121 0.000 0.991 122 L CA -0.769 54.017 54.840 -0.089 0.000 0.818 122 L CB 4.625 46.615 42.059 -0.115 0.000 1.321 122 L HN 0.808 9.006 8.230 -0.053 0.000 0.413 123 I N 1.669 122.169 120.570 -0.116 0.000 2.389 123 I HA 0.488 nan 4.170 nan 0.000 0.288 123 I C -1.224 174.802 176.117 -0.152 0.000 0.999 123 I CA -0.559 60.670 61.300 -0.117 0.000 1.129 123 I CB 2.360 40.328 38.000 -0.054 0.000 1.288 123 I HN 0.826 8.979 8.210 -0.095 0.000 0.444 124 I N 7.045 127.468 120.570 -0.245 0.000 2.479 124 I HA 0.130 nan 4.170 nan 0.000 0.279 124 I C -1.175 174.927 176.117 -0.025 0.000 1.102 124 I CA -1.089 60.078 61.300 -0.222 0.000 1.196 124 I CB -0.540 37.124 38.000 -0.559 0.000 1.427 124 I HN 1.032 8.960 8.210 -0.295 0.105 0.503 125 N N 8.200 126.920 118.700 0.033 0.000 2.739 125 N HA 0.016 nan 4.740 nan 0.000 0.266 125 N C -2.400 173.216 175.510 0.178 0.000 1.168 125 N CA -0.269 52.832 53.050 0.085 0.000 1.055 125 N CB 0.182 38.696 38.487 0.045 0.000 1.393 125 N HN -0.053 8.330 8.380 0.005 0.000 0.514 126 Y N 3.993 124.324 120.300 0.051 0.000 2.480 126 Y HA 0.177 nan 4.550 nan 0.000 0.329 126 Y C -2.655 173.309 175.900 0.106 0.000 1.127 126 Y CA -2.246 55.893 58.100 0.064 0.000 1.037 126 Y CB 3.890 42.384 38.460 0.056 0.000 1.320 126 Y HN -0.472 7.914 8.280 0.225 0.030 0.446 127 P HA 0.030 nan 4.420 nan 0.000 0.268 127 P C -1.791 175.444 177.300 -0.109 0.000 1.282 127 P CA 0.279 63.228 63.100 -0.252 0.000 0.880 127 P CB -0.440 31.082 31.700 -0.297 0.000 0.971 128 L N 6.033 127.283 121.223 0.045 0.000 2.349 128 L HA 0.114 nan 4.340 nan 0.000 0.278 128 L C -1.153 175.727 176.870 0.017 0.000 0.996 128 L CA -1.034 53.860 54.840 0.089 0.000 0.825 128 L CB 2.201 44.370 42.059 0.185 0.000 1.243 128 L HN -0.080 8.184 8.230 0.058 0.000 0.412 129 D N 3.151 123.557 120.400 0.010 0.000 2.378 129 D HA -0.101 nan 4.640 nan 0.000 0.238 129 D C 0.401 176.679 176.300 -0.036 0.000 1.180 129 D CA 0.376 54.366 54.000 -0.017 0.000 0.895 129 D CB 1.245 42.040 40.800 -0.009 0.000 1.192 129 D HN 0.080 8.468 8.370 0.031 0.000 0.438 130 D N 1.158 121.527 120.400 -0.052 0.000 2.205 130 D HA -0.399 nan 4.640 nan 0.000 0.190 130 D C 2.106 178.366 176.300 -0.068 0.000 1.002 130 D CA 4.663 58.620 54.000 -0.071 0.000 0.848 130 D CB 0.065 40.831 40.800 -0.057 0.000 0.975 130 D HN 0.202 8.543 8.370 -0.047 0.000 0.449 131 Q N -3.096 116.680 119.800 -0.041 0.000 2.133 131 Q HA -0.296 nan 4.340 nan 0.000 0.208 131 Q C 2.157 178.144 176.000 -0.022 0.000 0.991 131 Q CA 3.192 58.978 55.803 -0.029 0.000 0.867 131 Q CB -0.550 28.179 28.738 -0.016 0.000 0.911 131 Q HN 0.475 8.723 8.270 -0.035 0.000 0.417 132 D N -2.428 117.967 120.400 -0.008 0.000 2.277 132 D HA -0.124 nan 4.640 nan 0.000 0.208 132 D C 1.179 177.489 176.300 0.016 0.000 0.962 132 D CA 2.389 56.402 54.000 0.023 0.000 0.865 132 D CB -0.524 40.309 40.800 0.055 0.000 0.939 132 D HN -0.474 7.879 8.370 -0.009 0.012 0.510 133 A N 0.434 123.216 122.820 -0.065 0.000 1.854 133 A HA -0.143 nan 4.320 nan 0.000 0.214 133 A C 2.022 179.451 177.584 -0.259 0.000 1.192 133 A CA 3.098 54.998 52.037 -0.228 0.000 0.611 133 A CB -0.479 18.312 19.000 -0.348 0.000 0.832 133 A HN -0.109 7.833 8.150 -0.068 0.167 0.442 134 I N -5.105 115.365 120.570 -0.167 0.000 2.361 134 I HA -0.473 nan 4.170 nan 0.000 0.251 134 I C 1.516 177.621 176.117 -0.021 0.000 1.133 134 I CA 3.084 64.322 61.300 -0.104 0.000 1.413 134 I CB -0.920 37.037 38.000 -0.073 0.000 1.073 134 I HN -0.106 8.020 8.210 -0.141 0.000 0.424 135 A N 0.690 123.510 122.820 0.001 0.000 1.825 135 A HA -0.290 nan 4.320 nan 0.000 0.214 135 A C 1.921 179.549 177.584 0.073 0.000 1.206 135 A CA 3.317 55.372 52.037 0.030 0.000 0.609 135 A CB -0.803 18.213 19.000 0.026 0.000 0.851 135 A HN -0.547 7.569 8.150 -0.015 0.025 0.445 136 V N -0.665 119.323 119.914 0.123 0.000 2.317 136 V HA -0.526 nan 4.120 nan 0.000 0.251 136 V C 2.241 178.480 176.094 0.241 0.000 1.065 136 V CA 4.236 66.647 62.300 0.184 0.000 1.049 136 V CB -1.200 30.803 31.823 0.301 0.000 0.651 136 V HN -0.429 7.829 8.190 0.113 0.000 0.450 137 E N -0.967 119.433 120.200 0.333 0.000 2.031 137 E HA -0.340 nan 4.350 nan 0.000 0.193 137 E C 2.488 179.182 176.600 0.156 0.000 0.994 137 E CA 3.049 59.655 56.400 0.343 0.000 0.800 137 E CB -0.325 29.513 29.700 0.230 0.000 0.752 137 E HN -0.326 8.189 8.360 0.265 0.004 0.447 138 A N -1.316 121.558 122.820 0.091 0.000 2.125 138 A HA -0.150 nan 4.320 nan 0.000 0.219 138 A C 1.027 178.634 177.584 0.038 0.000 1.156 138 A CA 2.251 54.318 52.037 0.049 0.000 0.671 138 A CB -0.633 18.383 19.000 0.026 0.000 0.794 138 A HN 0.153 8.165 8.150 0.081 0.187 0.459 139 A N -3.925 118.923 122.820 0.046 0.000 2.016 139 A HA 0.047 nan 4.320 nan 0.000 0.217 139 A C 0.639 178.236 177.584 0.022 0.000 1.162 139 A CA 1.064 53.111 52.037 0.016 0.000 0.662 139 A CB 0.581 19.584 19.000 0.006 0.000 0.812 139 A HN -0.380 7.630 8.150 0.073 0.184 0.450 140 C N 0.883 120.210 119.300 0.045 0.000 3.329 140 C HA -0.016 nan 4.460 nan 0.000 0.537 140 C C 0.166 175.175 174.990 0.031 0.000 1.034 140 C CA -1.362 57.677 59.018 0.035 0.000 1.086 140 C CB -3.210 24.551 27.740 0.035 0.000 1.392 140 C HN -0.319 7.801 8.230 0.071 0.152 0.612 141 T N 2.131 116.701 114.554 0.026 0.000 2.409 141 T HA -0.309 nan 4.350 nan 0.000 0.211 141 T C -0.430 174.283 174.700 0.022 0.000 1.195 141 T CA 1.137 63.251 62.100 0.023 0.000 3.342 141 T CB -1.743 67.140 68.868 0.025 0.000 0.851 141 T HN 0.236 8.433 8.240 0.025 0.058 0.302 142 N N -3.960 114.754 118.700 0.022 0.000 2.672 142 N HA -0.491 nan 4.740 nan 0.000 0.247 142 N C -0.461 175.060 175.510 0.019 0.000 1.137 142 N CA 1.098 54.160 53.050 0.020 0.000 0.825 142 N CB -1.190 37.306 38.487 0.016 0.000 1.165 142 N HN 0.294 8.688 8.380 0.024 0.000 0.578 143 V N 1.343 121.268 119.914 0.018 0.000 2.461 143 V HA 0.206 nan 4.120 nan 0.000 0.275 143 V C -1.605 174.496 176.094 0.012 0.000 1.047 143 V CA -2.383 59.924 62.300 0.011 0.000 0.955 143 V CB 0.271 32.098 31.823 0.006 0.000 0.988 143 V HN -0.188 7.800 8.190 0.021 0.215 0.471 144 P HA -0.078 nan 4.420 nan 0.000 0.260 144 P C -1.975 175.323 177.300 -0.003 0.000 1.207 144 P CA 0.413 63.521 63.100 0.013 0.000 0.780 144 P CB 0.019 31.724 31.700 0.009 0.000 0.789 145 A N 5.054 127.883 122.820 0.014 0.000 2.303 145 A HA 0.654 nan 4.320 nan 0.000 0.320 145 A C -2.497 175.087 177.584 0.001 0.000 1.192 145 A CA -1.281 50.725 52.037 -0.050 0.000 0.821 145 A CB 1.959 20.932 19.000 -0.045 0.000 1.188 145 A HN 0.249 8.431 8.150 0.053 0.000 0.492 146 L N 2.511 123.676 121.223 -0.096 0.000 2.333 146 L HA 0.668 nan 4.340 nan 0.000 0.280 146 L C -2.424 174.392 176.870 -0.090 0.000 1.004 146 L CA -1.555 53.292 54.840 0.012 0.000 0.820 146 L CB 3.575 45.633 42.059 -0.001 0.000 1.247 146 L HN 0.442 8.570 8.230 -0.170 0.000 0.416 147 F N 5.766 125.728 119.950 0.020 0.000 2.420 147 F HA 0.411 nan 4.527 nan 0.000 0.342 147 F C -0.277 175.539 175.800 0.027 0.000 1.113 147 F CA -0.315 57.703 58.000 0.031 0.000 1.059 147 F CB 1.389 40.408 39.000 0.032 0.000 1.128 147 F HN 0.831 9.290 8.300 0.443 0.106 0.475 148 L N 1.417 122.748 121.223 0.180 0.000 2.693 148 L HA 0.169 nan 4.340 nan 0.000 0.235 148 L C -0.155 176.802 176.870 0.145 0.000 1.127 148 L CA 0.028 54.947 54.840 0.132 0.000 0.914 148 L CB 0.378 42.495 42.059 0.097 0.000 1.193 148 L HN -0.116 8.096 8.230 0.149 0.108 0.502 149 D N -0.423 120.076 120.400 0.165 0.000 2.656 149 D HA 0.170 nan 4.640 nan 0.000 0.303 149 D C -1.729 174.629 176.300 0.095 0.000 1.199 149 D CA -0.232 53.835 54.000 0.112 0.000 0.797 149 D CB 0.790 41.629 40.800 0.065 0.000 1.170 149 D HN -0.413 8.096 8.370 0.231 0.000 0.509 150 V N -6.075 113.883 119.914 0.073 0.000 3.856 150 V HA 0.730 nan 4.120 nan 0.000 0.302 150 V C -2.151 173.922 176.094 -0.036 0.000 1.389 150 V CA -3.538 58.768 62.300 0.009 0.000 0.964 150 V CB 3.073 34.879 31.823 -0.028 0.000 1.227 150 V HN -0.540 7.700 8.190 0.083 0.000 0.474 151 S N 0.316 115.979 115.700 -0.061 0.000 2.503 151 S HA 0.346 nan 4.470 nan 0.000 0.301 151 S C 0.362 174.941 174.600 -0.035 0.000 1.087 151 S CA -2.477 55.674 58.200 -0.082 0.000 1.042 151 S CB 1.648 64.796 63.200 -0.088 0.000 1.043 151 S HN 0.050 8.318 8.310 -0.070 0.000 0.489 152 D N 5.004 125.408 120.400 0.007 0.000 2.379 152 D HA -0.134 nan 4.640 nan 0.000 0.243 152 D C 0.194 176.513 176.300 0.032 0.000 1.088 152 D CA 1.279 55.310 54.000 0.052 0.000 0.925 152 D CB -1.219 39.660 40.800 0.131 0.000 0.888 152 D HN 0.585 8.946 8.370 -0.015 0.000 0.529 153 Q N -3.492 116.311 119.800 0.004 0.000 2.217 153 Q HA 0.158 nan 4.340 nan 0.000 0.217 153 Q C 0.295 176.277 176.000 -0.029 0.000 0.844 153 Q CA -0.756 55.045 55.803 -0.004 0.000 0.957 153 Q CB 1.154 29.890 28.738 -0.003 0.000 1.127 153 Q HN -0.685 7.450 8.270 -0.015 0.127 0.503 154 T N 5.293 119.818 114.554 -0.049 0.000 2.806 154 T HA 0.392 nan 4.350 nan 0.000 0.290 154 T C -1.643 173.012 174.700 -0.075 0.000 0.966 154 T CA -1.218 60.833 62.100 -0.083 0.000 1.060 154 T CB 0.237 69.021 68.868 -0.141 0.000 0.927 154 T HN -0.273 7.887 8.240 -0.044 0.054 0.485 155 P HA 0.249 nan 4.420 nan 0.000 0.237 155 P C -1.787 175.476 177.300 -0.062 0.000 1.788 155 P CA 0.108 63.178 63.100 -0.050 0.000 1.061 155 P CB -1.680 29.996 31.700 -0.039 0.000 1.967 156 I N -3.649 116.886 120.570 -0.059 0.000 3.149 156 I HA 0.336 nan 4.170 nan 0.000 0.310 156 I C -2.341 173.796 176.117 0.034 0.000 1.343 156 I CA -2.076 59.202 61.300 -0.036 0.000 0.955 156 I CB 3.457 41.339 38.000 -0.197 0.000 1.309 156 I HN -0.489 7.656 8.210 -0.048 0.036 0.478 157 N N 1.962 120.732 118.700 0.117 0.000 2.442 157 N HA 0.169 nan 4.740 nan 0.000 0.265 157 N C -0.733 174.878 175.510 0.167 0.000 1.138 157 N CA 0.856 53.977 53.050 0.118 0.000 0.956 157 N CB 0.229 38.784 38.487 0.114 0.000 1.067 157 N HN 0.494 8.971 8.380 0.161 0.000 0.474 158 S N 2.169 117.929 115.700 0.100 0.000 2.579 158 S HA 0.796 nan 4.470 nan 0.000 0.272 158 S C -1.705 172.921 174.600 0.043 0.000 1.141 158 S CA -0.896 57.367 58.200 0.105 0.000 0.843 158 S CB 3.340 66.597 63.200 0.095 0.000 1.122 158 S HN 0.526 8.874 8.310 0.063 0.000 0.468 159 I N 1.203 121.786 120.570 0.021 0.000 2.512 159 I HA 0.637 nan 4.170 nan 0.000 0.287 159 I C -1.277 174.791 176.117 -0.082 0.000 1.069 159 I CA -0.186 61.084 61.300 -0.051 0.000 1.056 159 I CB 2.795 40.747 38.000 -0.080 0.000 1.229 159 I HN -0.346 7.892 8.210 0.048 0.000 0.429 160 I N -1.913 118.591 120.570 -0.111 0.000 3.191 160 I HA 0.567 nan 4.170 nan 0.000 0.313 160 I C -2.086 173.933 176.117 -0.164 0.000 1.193 160 I CA -2.355 58.894 61.300 -0.085 0.000 0.968 160 I CB 4.250 42.286 38.000 0.061 0.000 1.262 160 I HN 0.766 8.810 8.210 -0.098 0.107 0.456 161 F N -1.036 118.977 119.950 0.104 0.000 2.371 161 F HA 0.331 nan 4.527 nan 0.000 0.329 161 F C 0.214 176.091 175.800 0.128 0.000 1.107 161 F CA -0.527 57.526 58.000 0.088 0.000 1.137 161 F CB 1.235 40.281 39.000 0.077 0.000 1.214 161 F HN -0.043 8.448 8.300 0.319 0.000 0.536 162 S N 0.706 116.559 115.700 0.254 0.000 2.509 162 S HA -0.112 nan 4.470 nan 0.000 0.287 162 S C 0.918 175.634 174.600 0.193 0.000 1.248 162 S CA 0.160 58.450 58.200 0.150 0.000 1.089 162 S CB 0.416 63.652 63.200 0.059 0.000 0.900 162 S HN 0.429 8.887 8.310 0.246 0.000 0.496 163 H N 5.122 124.274 119.070 0.138 0.000 2.551 163 H HA 0.151 nan 4.556 nan 0.000 0.266 163 H C 1.527 176.920 175.328 0.108 0.000 0.964 163 H CA 0.812 56.940 56.048 0.133 0.000 1.180 163 H CB -0.018 29.788 29.762 0.073 0.000 1.408 163 H HN 0.452 8.847 8.280 0.190 0.000 0.563 164 E N 0.438 120.475 120.200 -0.271 0.000 2.060 164 E HA -0.210 nan 4.350 nan 0.000 0.189 164 E C 1.624 178.138 176.600 -0.143 0.000 0.974 164 E CA 2.607 58.935 56.400 -0.120 0.000 0.808 164 E CB -0.063 29.569 29.700 -0.113 0.000 0.768 164 E HN -0.519 7.566 8.360 -0.370 0.054 0.453 165 D N -0.296 120.042 120.400 -0.104 0.000 2.078 165 D HA -0.217 nan 4.640 nan 0.000 0.193 165 D C 2.345 178.581 176.300 -0.107 0.000 0.990 165 D CA 3.346 57.277 54.000 -0.115 0.000 0.827 165 D CB -0.370 40.396 40.800 -0.056 0.000 0.975 165 D HN -0.341 7.982 8.370 -0.079 0.000 0.451 166 G N -1.683 107.109 108.800 -0.014 0.000 2.553 166 G HA2 -0.419 nan 3.960 nan 0.000 0.218 166 G HA3 -0.419 nan 3.960 nan 0.000 0.218 166 G C 1.046 176.030 174.900 0.139 0.000 1.195 166 G CA 2.685 47.798 45.100 0.022 0.000 0.779 166 G HN -0.342 7.965 8.290 0.028 0.000 0.577 167 T N -1.543 113.125 114.554 0.189 0.000 2.962 167 T HA -0.211 nan 4.350 nan 0.000 0.270 167 T C 1.975 176.683 174.700 0.014 0.000 1.088 167 T CA 2.998 65.251 62.100 0.255 0.000 1.127 167 T CB -0.404 68.531 68.868 0.113 0.000 0.883 167 T HN -0.571 7.762 8.240 0.156 0.000 0.493 168 R N 2.220 122.492 120.500 -0.380 0.000 2.057 168 R HA -0.115 nan 4.340 nan 0.000 0.224 168 R C 1.752 177.930 176.300 -0.204 0.000 1.136 168 R CA 2.810 58.523 56.100 -0.644 0.000 0.968 168 R CB 0.064 29.817 30.300 -0.911 0.000 0.863 168 R HN -0.350 7.561 8.270 -0.325 0.164 0.433 169 L N -2.210 118.932 121.223 -0.135 0.000 2.081 169 L HA -0.414 nan 4.340 nan 0.000 0.212 169 L C 2.363 179.228 176.870 -0.008 0.000 1.080 169 L CA 2.823 57.621 54.840 -0.070 0.000 0.754 169 L CB -0.542 41.456 42.059 -0.103 0.000 0.893 169 L HN 0.587 8.611 8.230 -0.160 0.110 0.433 170 G N -1.872 106.945 108.800 0.029 0.000 2.434 170 G HA2 -0.342 nan 3.960 nan 0.000 0.214 170 G HA3 -0.342 nan 3.960 nan 0.000 0.214 170 G C 1.004 175.959 174.900 0.093 0.000 1.202 170 G CA 2.086 47.231 45.100 0.075 0.000 0.788 170 G HN -0.477 7.824 8.290 0.035 0.010 0.539 171 V N 2.670 122.644 119.914 0.100 0.000 2.233 171 V HA -0.522 nan 4.120 nan 0.000 0.247 171 V C 2.217 178.369 176.094 0.096 0.000 1.050 171 V CA 4.259 66.617 62.300 0.097 0.000 1.010 171 V CB -0.626 31.303 31.823 0.177 0.000 0.637 171 V HN -0.610 7.661 8.190 0.136 0.000 0.444 172 E N -1.952 118.302 120.200 0.091 0.000 2.147 172 E HA -0.522 nan 4.350 nan 0.000 0.199 172 E C 2.045 178.709 176.600 0.107 0.000 1.005 172 E CA 3.388 59.840 56.400 0.088 0.000 0.810 172 E CB -0.441 29.296 29.700 0.062 0.000 0.736 172 E HN 0.094 8.493 8.360 0.065 0.000 0.460 173 H N 0.452 119.529 119.070 0.012 0.000 2.299 173 H HA -0.219 nan 4.556 nan 0.000 0.302 173 H C 2.386 177.742 175.328 0.046 0.000 1.078 173 H CA 3.275 59.332 56.048 0.015 0.000 1.323 173 H CB 0.486 30.245 29.762 -0.006 0.000 1.381 173 H HN -0.572 7.806 8.280 0.187 0.014 0.498 174 L N -2.756 118.468 121.223 0.001 0.000 2.131 174 L HA -0.366 nan 4.340 nan 0.000 0.210 174 L C 2.366 179.278 176.870 0.068 0.000 1.092 174 L CA 2.770 57.602 54.840 -0.014 0.000 0.759 174 L CB -0.050 41.983 42.059 -0.044 0.000 0.903 174 L HN -0.176 8.127 8.230 0.122 0.000 0.435 175 V N -4.358 115.581 119.914 0.043 0.000 2.346 175 V HA -0.231 nan 4.120 nan 0.000 0.244 175 V C 2.054 178.149 176.094 0.001 0.000 1.037 175 V CA 3.119 65.442 62.300 0.038 0.000 1.029 175 V CB -1.238 30.616 31.823 0.052 0.000 0.663 175 V HN 0.471 8.584 8.190 0.050 0.107 0.454 176 A N 0.468 123.286 122.820 -0.003 0.000 2.131 176 A HA -0.252 nan 4.320 nan 0.000 0.220 176 A C 1.382 178.931 177.584 -0.058 0.000 1.158 176 A CA 2.795 54.822 52.037 -0.017 0.000 0.665 176 A CB -0.674 18.331 19.000 0.008 0.000 0.795 176 A HN 0.330 8.376 8.150 0.014 0.113 0.460 177 L N -4.825 116.339 121.223 -0.099 0.000 2.416 177 L HA 0.046 nan 4.340 nan 0.000 0.216 177 L C 0.454 177.201 176.870 -0.204 0.000 1.098 177 L CA 0.514 55.265 54.840 -0.149 0.000 0.840 177 L CB 0.841 42.795 42.059 -0.176 0.000 0.981 177 L HN -0.359 7.650 8.230 -0.086 0.170 0.462 178 G N -2.988 105.710 108.800 -0.171 0.000 2.141 178 G HA2 -0.331 nan 3.960 nan 0.000 0.164 178 G HA3 -0.331 nan 3.960 nan 0.000 0.164 178 G C -0.627 174.130 174.900 -0.238 0.000 1.009 178 G CA -0.520 44.468 45.100 -0.186 0.000 0.677 178 G HN -0.236 7.861 8.290 -0.096 0.136 0.508 179 H N 0.018 119.054 119.070 -0.057 0.000 2.610 179 H HA 0.037 nan 4.556 nan 0.000 0.336 179 H C -0.409 174.898 175.328 -0.035 0.000 1.087 179 H CA 0.524 56.542 56.048 -0.051 0.000 1.405 179 H CB 1.041 30.764 29.762 -0.065 0.000 1.460 179 H HN -0.303 7.961 8.280 -0.027 0.000 0.538 180 Q N 3.310 123.160 119.800 0.084 0.000 2.580 180 Q HA 0.136 nan 4.340 nan 0.000 0.239 180 Q C -0.328 175.696 176.000 0.039 0.000 0.873 180 Q CA 1.072 56.901 55.803 0.043 0.000 0.951 180 Q CB 0.882 29.630 28.738 0.018 0.000 1.172 180 Q HN 0.456 8.784 8.270 0.098 0.000 0.616 181 Q N 0.654 120.478 119.800 0.042 0.000 2.406 181 Q HA 0.118 nan 4.340 nan 0.000 0.242 181 Q C -1.326 174.675 176.000 0.003 0.000 1.036 181 Q CA -0.027 55.788 55.803 0.020 0.000 0.904 181 Q CB 0.021 28.769 28.738 0.016 0.000 1.244 181 Q HN 0.063 8.366 8.270 0.055 0.000 0.478 182 I N 3.163 123.718 120.570 -0.025 0.000 2.646 182 I HA 0.712 nan 4.170 nan 0.000 0.299 182 I C -2.186 173.878 176.117 -0.088 0.000 1.036 182 I CA -1.687 59.566 61.300 -0.078 0.000 1.074 182 I CB 4.208 42.154 38.000 -0.090 0.000 1.258 182 I HN -0.032 8.169 8.210 -0.015 0.000 0.430 183 A N 3.537 126.282 122.820 -0.125 0.000 2.374 183 A HA 0.968 nan 4.320 nan 0.000 0.317 183 A C -2.324 175.152 177.584 -0.180 0.000 1.094 183 A CA -2.207 49.761 52.037 -0.115 0.000 0.765 183 A CB 2.966 21.913 19.000 -0.088 0.000 1.268 183 A HN 0.491 8.549 8.150 -0.154 0.000 0.438 184 L N 0.199 121.341 121.223 -0.135 0.000 2.317 184 L HA 0.857 nan 4.340 nan 0.000 0.281 184 L C -1.423 175.416 176.870 -0.051 0.000 1.024 184 L CA -1.183 53.563 54.840 -0.156 0.000 0.810 184 L CB 2.150 44.220 42.059 0.018 0.000 1.240 184 L HN 0.652 8.725 8.230 -0.076 0.112 0.427 185 L N 4.164 125.357 121.223 -0.051 0.000 2.442 185 L HA 0.473 nan 4.340 nan 0.000 0.261 185 L C -2.485 174.477 176.870 0.154 0.000 1.000 185 L CA -1.174 53.682 54.840 0.026 0.000 0.882 185 L CB 2.463 44.514 42.059 -0.014 0.000 1.207 185 L HN 0.239 8.350 8.230 -0.198 0.000 0.443 186 A N 5.968 128.887 122.820 0.164 0.000 2.287 186 A HA 0.306 nan 4.320 nan 0.000 0.273 186 A C -0.903 176.593 177.584 -0.146 0.000 1.091 186 A CA -1.272 50.836 52.037 0.118 0.000 0.817 186 A CB 2.153 21.189 19.000 0.060 0.000 1.069 186 A HN 0.711 8.836 8.150 0.111 0.092 0.492 187 G N -2.605 105.950 108.800 -0.409 0.000 2.588 187 G HA2 0.202 nan 3.960 nan 0.000 0.278 187 G HA3 0.202 nan 3.960 nan 0.000 0.278 187 G C -2.213 172.238 174.900 -0.748 0.000 1.307 187 G CA -2.245 42.209 45.100 -1.077 0.000 1.016 187 G HN 0.183 8.283 8.290 -0.317 0.000 0.503 188 P HA -0.074 nan 4.420 nan 0.000 0.267 188 P C -0.073 177.050 177.300 -0.295 0.000 1.205 188 P CA 0.077 62.922 63.100 -0.424 0.000 0.765 188 P CB 0.695 32.182 31.700 -0.356 0.000 0.828 189 L N 2.097 123.211 121.223 -0.181 0.000 2.633 189 L HA -0.309 nan 4.340 nan 0.000 0.235 189 L C 1.189 178.003 176.870 -0.092 0.000 1.163 189 L CA 1.907 56.672 54.840 -0.124 0.000 0.859 189 L CB -1.332 40.677 42.059 -0.082 0.000 0.973 189 L HN 0.165 8.387 8.230 -0.158 -0.087 0.451 190 S N -2.953 112.691 115.700 -0.093 0.000 2.436 190 S HA -0.175 nan 4.470 nan 0.000 0.228 190 S C 0.513 175.085 174.600 -0.046 0.000 1.014 190 S CA 0.631 58.798 58.200 -0.054 0.000 0.950 190 S CB -0.143 63.034 63.200 -0.038 0.000 0.784 190 S HN -0.252 7.896 8.310 -0.122 0.089 0.504 191 S N 2.351 118.020 115.700 -0.051 0.000 2.545 191 S HA 0.088 nan 4.470 nan 0.000 0.275 191 S C 1.188 175.781 174.600 -0.011 0.000 1.299 191 S CA -1.367 56.836 58.200 0.005 0.000 1.048 191 S CB 1.189 64.483 63.200 0.157 0.000 0.938 191 S HN -0.473 7.641 8.310 -0.097 0.138 0.496 192 V N 6.344 126.250 119.914 -0.013 0.000 2.220 192 V HA -0.416 nan 4.120 nan 0.000 0.246 192 V C 1.706 177.771 176.094 -0.050 0.000 1.049 192 V CA 3.272 65.548 62.300 -0.041 0.000 1.003 192 V CB -0.410 31.387 31.823 -0.042 0.000 0.634 192 V HN 0.694 8.876 8.190 -0.013 0.000 0.444 193 S N 0.056 115.754 115.700 -0.005 0.000 2.372 193 S HA -0.509 nan 4.470 nan 0.000 0.227 193 S C 1.657 176.243 174.600 -0.025 0.000 1.044 193 S CA 3.296 61.494 58.200 -0.003 0.000 1.050 193 S CB -0.379 62.864 63.200 0.073 0.000 0.901 193 S HN -0.136 8.187 8.310 0.021 0.000 0.447 194 A N 0.700 123.558 122.820 0.063 0.000 1.859 194 A HA -0.319 nan 4.320 nan 0.000 0.217 194 A C 2.053 179.527 177.584 -0.183 0.000 1.198 194 A CA 2.866 54.855 52.037 -0.079 0.000 0.629 194 A CB -0.677 18.190 19.000 -0.222 0.000 0.830 194 A HN -0.577 7.668 8.150 0.157 0.000 0.446 195 R N -2.113 118.307 120.500 -0.134 0.000 2.105 195 R HA -0.366 nan 4.340 nan 0.000 0.239 195 R C 2.782 178.999 176.300 -0.138 0.000 1.135 195 R CA 3.183 59.211 56.100 -0.120 0.000 0.967 195 R CB -0.247 30.002 30.300 -0.085 0.000 0.861 195 R HN -0.603 7.607 8.270 -0.101 0.000 0.442 196 L N -1.691 119.437 121.223 -0.158 0.000 2.131 196 L HA -0.334 nan 4.340 nan 0.000 0.210 196 L C 2.501 179.276 176.870 -0.159 0.000 1.092 196 L CA 2.983 57.720 54.840 -0.170 0.000 0.759 196 L CB -0.584 41.286 42.059 -0.315 0.000 0.903 196 L HN 0.274 8.327 8.230 -0.148 0.089 0.435 197 R N -1.299 119.001 120.500 -0.334 0.000 2.080 197 R HA -0.188 nan 4.340 nan 0.000 0.222 197 R C 2.285 177.961 176.300 -1.040 0.000 1.107 197 R CA 3.252 58.936 56.100 -0.693 0.000 0.980 197 R CB -0.052 29.707 30.300 -0.900 0.000 0.879 197 R HN -0.026 7.932 8.270 -0.305 0.129 0.439 198 L N -0.439 120.371 121.223 -0.688 0.000 2.127 198 L HA -0.286 nan 4.340 nan 0.000 0.211 198 L C 1.781 178.636 176.870 -0.026 0.000 1.089 198 L CA 2.970 57.605 54.840 -0.342 0.000 0.757 198 L CB -0.348 41.674 42.059 -0.062 0.000 0.899 198 L HN 0.361 8.188 8.230 -0.495 0.105 0.434 199 A N -2.141 120.653 122.820 -0.043 0.000 1.855 199 A HA -0.248 nan 4.320 nan 0.000 0.215 199 A C 1.817 179.475 177.584 0.123 0.000 1.191 199 A CA 3.256 55.341 52.037 0.081 0.000 0.613 199 A CB -0.954 18.070 19.000 0.040 0.000 0.829 199 A HN 0.155 8.213 8.150 -0.131 0.013 0.442 200 G N -0.945 107.887 108.800 0.052 0.000 2.514 200 G HA2 -0.337 nan 3.960 nan 0.000 0.217 200 G HA3 -0.337 nan 3.960 nan 0.000 0.217 200 G C 1.152 176.259 174.900 0.345 0.000 1.198 200 G CA 2.026 47.255 45.100 0.214 0.000 0.780 200 G HN -0.552 7.713 8.290 -0.042 0.000 0.565 201 W N 0.340 121.759 121.300 0.199 0.000 2.341 201 W HA -0.255 nan 4.660 nan 0.000 0.283 201 W C 2.706 179.250 176.519 0.041 0.000 1.215 201 W CA 1.631 59.035 57.345 0.098 0.000 1.211 201 W CB -0.974 28.472 29.460 -0.022 0.000 1.131 201 W HN 0.088 8.057 8.180 -0.352 0.000 0.552 202 H N -0.542 118.700 119.070 0.286 0.000 2.415 202 H HA -0.177 nan 4.556 nan 0.000 0.297 202 H C 1.642 177.029 175.328 0.098 0.000 1.048 202 H CA 3.877 60.025 56.048 0.168 0.000 1.365 202 H CB 0.610 30.435 29.762 0.105 0.000 1.421 202 H HN -0.447 7.871 8.280 0.323 0.156 0.533 203 K N 1.106 121.613 120.400 0.178 0.000 2.025 203 K HA -0.366 nan 4.320 nan 0.000 0.207 203 K C 2.517 179.014 176.600 -0.171 0.000 1.049 203 K CA 3.504 59.752 56.287 -0.066 0.000 0.933 203 K CB 0.012 32.372 32.500 -0.234 0.000 0.714 203 K HN 0.078 8.380 8.250 0.228 0.085 0.438 204 Y N -2.970 117.406 120.300 0.127 0.000 2.337 204 Y HA -0.228 nan 4.550 nan 0.000 0.293 204 Y C 2.217 178.181 175.900 0.106 0.000 1.123 204 Y CA 3.288 61.455 58.100 0.112 0.000 1.201 204 Y CB 0.043 38.578 38.460 0.125 0.000 1.011 204 Y HN -0.138 8.344 8.280 0.336 0.000 0.545 205 L N -1.292 120.077 121.223 0.244 0.000 1.970 205 L HA -0.493 nan 4.340 nan 0.000 0.212 205 L C 2.330 179.270 176.870 0.115 0.000 1.071 205 L CA 3.322 58.257 54.840 0.157 0.000 0.751 205 L CB -0.344 41.784 42.059 0.116 0.000 0.889 205 L HN -0.446 7.955 8.230 0.284 0.000 0.432 206 T N -3.870 110.750 114.554 0.110 0.000 2.803 206 T HA -0.324 nan 4.350 nan 0.000 0.269 206 T C 2.685 177.414 174.700 0.048 0.000 1.052 206 T CA 3.276 65.422 62.100 0.076 0.000 1.136 206 T CB -0.790 68.123 68.868 0.075 0.000 0.864 206 T HN -0.356 7.967 8.240 0.138 0.000 0.467 207 R N 1.442 121.962 120.500 0.034 0.000 2.091 207 R HA -0.244 nan 4.340 nan 0.000 0.238 207 R C 1.930 178.260 176.300 0.050 0.000 1.136 207 R CA 2.576 58.687 56.100 0.018 0.000 0.959 207 R CB -0.083 30.210 30.300 -0.010 0.000 0.856 207 R HN -0.366 7.845 8.270 0.033 0.079 0.437 208 N N -3.432 115.314 118.700 0.078 0.000 2.322 208 N HA 0.089 nan 4.740 nan 0.000 0.216 208 N C -1.388 174.155 175.510 0.056 0.000 1.144 208 N CA 0.136 53.229 53.050 0.072 0.000 0.830 208 N CB -0.038 38.503 38.487 0.090 0.000 1.034 208 N HN -0.566 7.775 8.380 0.098 0.099 0.484 209 Q N -4.959 114.871 119.800 0.050 0.000 2.439 209 Q HA -0.416 nan 4.340 nan 0.000 0.247 209 Q C -1.052 174.976 176.000 0.046 0.000 0.899 209 Q CA 1.199 57.027 55.803 0.042 0.000 1.201 209 Q CB -1.666 27.091 28.738 0.031 0.000 1.608 209 Q HN 0.108 8.167 8.270 0.048 0.240 0.563 210 I N -0.369 120.235 120.570 0.057 0.000 2.428 210 I HA -0.071 nan 4.170 nan 0.000 0.296 210 I C -1.056 175.099 176.117 0.063 0.000 0.985 210 I CA -0.339 60.993 61.300 0.053 0.000 1.260 210 I CB 0.921 38.951 38.000 0.050 0.000 1.389 210 I HN -0.062 8.036 8.210 0.066 0.152 0.484 211 Q N 5.223 125.056 119.800 0.054 0.000 2.333 211 Q HA 0.325 nan 4.340 nan 0.000 0.268 211 Q C -2.443 173.584 176.000 0.045 0.000 1.007 211 Q CA -3.931 51.912 55.803 0.067 0.000 0.810 211 Q CB 1.263 30.039 28.738 0.063 0.000 1.264 211 Q HN 0.040 8.336 8.270 0.043 0.000 0.452 212 P HA 0.118 nan 4.420 nan 0.000 0.267 212 P C 0.020 177.333 177.300 0.022 0.000 1.209 212 P CA -0.055 63.047 63.100 0.004 0.000 0.763 212 P CB 0.394 32.075 31.700 -0.033 0.000 0.816 213 I N -1.844 118.728 120.570 0.004 0.000 2.676 213 I HA 0.023 nan 4.170 nan 0.000 0.259 213 I C -0.384 175.737 176.117 0.006 0.000 1.194 213 I CA 0.942 62.246 61.300 0.007 0.000 1.473 213 I CB 0.298 38.297 38.000 -0.001 0.000 1.096 213 I HN 0.111 8.315 8.210 -0.011 0.000 0.443 214 A N -1.186 121.633 122.820 -0.002 0.000 2.594 214 A HA 0.252 nan 4.320 nan 0.000 0.295 214 A C -2.800 174.784 177.584 0.001 0.000 1.071 214 A CA -0.374 51.662 52.037 -0.001 0.000 0.685 214 A CB 2.769 21.759 19.000 -0.017 0.000 1.285 214 A HN -0.605 7.504 8.150 -0.013 0.034 0.405 215 E N 0.214 120.425 120.200 0.019 0.000 2.372 215 E HA 0.732 nan 4.350 nan 0.000 0.279 215 E C -1.980 174.638 176.600 0.030 0.000 0.946 215 E CA -1.314 55.109 56.400 0.039 0.000 0.769 215 E CB 2.839 32.595 29.700 0.094 0.000 1.230 215 E HN 0.246 8.617 8.360 0.019 0.000 0.442 216 R N 1.953 122.470 120.500 0.030 0.000 2.774 216 R HA 0.290 nan 4.340 nan 0.000 0.279 216 R C -1.487 174.814 176.300 0.001 0.000 1.022 216 R CA -0.426 55.680 56.100 0.009 0.000 0.855 216 R CB 1.621 31.917 30.300 -0.007 0.000 1.279 216 R HN 0.410 8.707 8.270 0.044 0.000 0.485 217 E N 1.014 121.197 120.200 -0.027 0.000 2.356 217 E HA 0.673 5.025 4.350 0.004 0.000 0.275 217 E C -1.401 175.151 176.600 -0.080 0.000 0.904 217 E CA -0.703 55.657 56.400 -0.065 0.000 0.757 217 E CB 3.310 32.950 29.700 -0.101 0.000 1.232 217 E HN 0.086 nan 8.360 nan 0.000 0.442 218 G N 0.765 109.499 108.800 -0.110 0.000 2.857 218 G HA2 0.370 nan 3.960 nan 0.000 0.217 218 G HA3 0.370 nan 3.960 nan 0.000 0.217 218 G C -1.388 173.403 174.900 -0.182 0.000 1.357 218 G CA -0.312 44.732 45.100 -0.093 0.000 1.033 218 G HN 0.202 8.413 8.290 -0.131 0.000 0.571 219 D N -2.615 117.710 120.400 -0.125 0.000 2.623 219 D HA 0.173 nan 4.640 nan 0.000 0.252 219 D C 0.074 176.372 176.300 -0.004 0.000 1.294 219 D CA -2.251 51.655 54.000 -0.158 0.000 0.824 219 D CB -0.093 40.685 40.800 -0.037 0.000 1.070 219 D HN -0.330 8.014 8.370 -0.044 0.000 0.487 220 W N -5.097 116.206 121.300 0.005 0.000 1.273 220 W HA -0.452 nan 4.660 nan 0.000 0.240 220 W C -0.539 175.967 176.519 -0.021 0.000 0.987 220 W CA 0.784 58.126 57.345 -0.006 0.000 0.393 220 W CB -1.790 27.658 29.460 -0.020 0.000 1.994 220 W HN -0.540 7.594 8.180 -0.077 0.000 1.170 221 S N -2.225 113.587 115.700 0.188 0.000 2.617 221 S HA 0.330 nan 4.470 nan 0.000 0.283 221 S C 0.846 175.492 174.600 0.077 0.000 1.189 221 S CA -1.658 56.600 58.200 0.097 0.000 1.036 221 S CB 2.493 65.738 63.200 0.075 0.000 1.014 221 S HN -0.582 7.968 8.310 0.153 -0.148 0.522 222 A N 4.560 127.405 122.820 0.042 0.000 1.873 222 A HA -0.290 nan 4.320 nan 0.000 0.218 222 A C 2.095 179.720 177.584 0.069 0.000 1.193 222 A CA 3.246 55.308 52.037 0.042 0.000 0.629 222 A CB -0.699 18.300 19.000 -0.002 0.000 0.826 222 A HN 0.877 9.035 8.150 0.013 0.000 0.447 223 M N -3.126 116.501 119.600 0.045 0.000 2.435 223 M HA -0.229 nan 4.480 nan 0.000 0.262 223 M C 1.974 178.355 176.300 0.134 0.000 1.065 223 M CA 1.826 57.163 55.300 0.062 0.000 1.076 223 M CB -0.739 31.868 32.600 0.011 0.000 1.403 223 M HN -0.008 8.298 8.290 0.026 0.000 0.454 224 S N -0.792 114.968 115.700 0.101 0.000 2.406 224 S HA -0.096 nan 4.470 nan 0.000 0.224 224 S C 2.122 176.772 174.600 0.084 0.000 1.030 224 S CA 3.808 62.057 58.200 0.081 0.000 0.958 224 S CB -0.397 62.833 63.200 0.051 0.000 0.811 224 S HN 0.060 8.226 8.310 0.085 0.195 0.489 225 G N 1.163 110.023 108.800 0.099 0.000 2.402 225 G HA2 -0.266 nan 3.960 nan 0.000 0.216 225 G HA3 -0.266 nan 3.960 nan 0.000 0.216 225 G C 1.014 175.966 174.900 0.087 0.000 1.162 225 G CA 2.046 47.194 45.100 0.080 0.000 0.777 225 G HN -0.262 7.997 8.290 0.107 0.095 0.539 226 F N 3.410 123.358 119.950 -0.004 0.000 2.102 226 F HA -0.377 nan 4.527 nan 0.000 0.298 226 F C 1.135 176.931 175.800 -0.008 0.000 1.105 226 F CA 3.395 61.389 58.000 -0.009 0.000 1.239 226 F CB 0.446 39.439 39.000 -0.011 0.000 0.991 226 F HN -0.198 8.263 8.300 0.259 -0.005 0.474 227 Q N -1.688 118.227 119.800 0.193 0.000 2.002 227 Q HA -0.465 nan 4.340 nan 0.000 0.204 227 Q C 2.253 178.230 176.000 -0.038 0.000 0.988 227 Q CA 2.966 58.820 55.803 0.085 0.000 0.843 227 Q CB -0.706 28.095 28.738 0.105 0.000 0.908 227 Q HN 0.088 8.331 8.270 0.258 0.182 0.420 228 Q N -0.942 118.845 119.800 -0.022 0.000 2.030 228 Q HA -0.262 nan 4.340 nan 0.000 0.204 228 Q C 3.139 179.094 176.000 -0.074 0.000 0.986 228 Q CA 2.534 58.313 55.803 -0.040 0.000 0.843 228 Q CB -0.531 28.194 28.738 -0.023 0.000 0.904 228 Q HN -0.051 8.226 8.270 0.012 0.000 0.420 229 T N 3.016 117.514 114.554 -0.094 0.000 2.881 229 T HA -0.220 nan 4.350 nan 0.000 0.270 229 T C 2.372 176.961 174.700 -0.185 0.000 1.068 229 T CA 4.269 66.295 62.100 -0.122 0.000 1.131 229 T CB -0.629 68.171 68.868 -0.114 0.000 0.871 229 T HN 0.202 8.398 8.240 -0.073 0.000 0.479 230 M N 1.512 120.945 119.600 -0.278 0.000 2.134 230 M HA -0.197 nan 4.480 nan 0.000 0.262 230 M C 1.750 177.949 176.300 -0.167 0.000 1.076 230 M CA 1.999 57.113 55.300 -0.310 0.000 1.143 230 M CB -1.166 31.142 32.600 -0.487 0.000 1.346 230 M HN -0.347 7.648 8.290 -0.296 0.117 0.421 231 Q N -1.078 118.647 119.800 -0.125 0.000 2.112 231 Q HA -0.410 nan 4.340 nan 0.000 0.206 231 Q C 2.549 178.511 176.000 -0.063 0.000 0.987 231 Q CA 3.179 58.938 55.803 -0.074 0.000 0.858 231 Q CB -0.160 28.548 28.738 -0.049 0.000 0.905 231 Q HN -0.149 8.039 8.270 -0.136 0.000 0.420 232 M N -0.121 119.439 119.600 -0.067 0.000 2.084 232 M HA -0.401 nan 4.480 nan 0.000 0.259 232 M C 1.864 178.132 176.300 -0.053 0.000 1.072 232 M CA 3.866 59.134 55.300 -0.054 0.000 1.107 232 M CB 0.035 32.602 32.600 -0.056 0.000 1.299 232 M HN -0.301 7.942 8.290 -0.079 0.000 0.413 233 L N -2.565 118.618 121.223 -0.068 0.000 2.081 233 L HA -0.520 nan 4.340 nan 0.000 0.212 233 L C 2.351 179.191 176.870 -0.050 0.000 1.080 233 L CA 2.820 57.623 54.840 -0.060 0.000 0.754 233 L CB -0.775 41.239 42.059 -0.074 0.000 0.893 233 L HN -0.613 7.566 8.230 -0.085 0.000 0.433 234 N N -0.006 118.661 118.700 -0.055 0.000 2.104 234 N HA -0.315 nan 4.740 nan 0.000 0.190 234 N C 1.374 176.865 175.510 -0.031 0.000 1.024 234 N CA 2.409 55.434 53.050 -0.042 0.000 0.853 234 N CB -0.331 38.131 38.487 -0.042 0.000 1.008 234 N HN -0.125 8.204 8.380 -0.069 0.010 0.424 235 E N -1.804 118.377 120.200 -0.031 0.000 2.515 235 E HA -0.137 nan 4.350 nan 0.000 0.201 235 E C 0.396 176.984 176.600 -0.020 0.000 1.071 235 E CA 0.091 56.477 56.400 -0.023 0.000 0.880 235 E CB -0.443 29.244 29.700 -0.022 0.000 0.828 235 E HN -0.370 7.859 8.360 -0.037 0.108 0.540 236 G N -1.831 106.955 108.800 -0.023 0.000 2.148 236 G HA2 -0.438 nan 3.960 nan 0.000 0.254 236 G HA3 -0.438 nan 3.960 nan 0.000 0.254 236 G C -0.497 174.391 174.900 -0.019 0.000 0.981 236 G CA 0.628 45.716 45.100 -0.020 0.000 0.670 236 G HN 0.123 8.151 8.290 -0.028 0.246 0.528 237 I N 1.643 122.199 120.570 -0.023 0.000 2.297 237 I HA -0.071 nan 4.170 nan 0.000 0.291 237 I C -1.609 174.491 176.117 -0.028 0.000 1.033 237 I CA -0.027 61.259 61.300 -0.022 0.000 1.253 237 I CB 0.261 38.247 38.000 -0.023 0.000 1.396 237 I HN -0.637 7.513 8.210 -0.027 0.043 0.476 238 V N 8.516 128.415 119.914 -0.024 0.000 2.305 238 V HA 0.464 nan 4.120 nan 0.000 0.275 238 V C -1.751 174.330 176.094 -0.021 0.000 1.020 238 V CA -4.131 58.153 62.300 -0.026 0.000 0.811 238 V CB 1.174 32.985 31.823 -0.021 0.000 1.031 238 V HN 0.173 8.352 8.190 -0.018 0.000 0.439 239 P HA 0.321 nan 4.420 nan 0.000 0.273 239 P C -0.808 176.483 177.300 -0.015 0.000 1.250 239 P CA -0.446 62.636 63.100 -0.029 0.000 0.793 239 P CB 1.703 33.368 31.700 -0.058 0.000 1.011 240 T N -7.135 107.427 114.554 0.013 0.000 3.057 240 T HA 0.074 nan 4.350 nan 0.000 0.254 240 T C -0.463 174.228 174.700 -0.016 0.000 1.094 240 T CA 0.279 62.423 62.100 0.074 0.000 1.088 240 T CB 0.652 69.647 68.868 0.210 0.000 0.934 240 T HN 0.457 8.599 8.240 0.016 0.109 0.497 241 A N 0.525 123.260 122.820 -0.142 0.000 2.587 241 A HA 0.836 nan 4.320 nan 0.000 0.293 241 A C -2.967 174.486 177.584 -0.220 0.000 1.087 241 A CA -0.333 51.512 52.037 -0.320 0.000 0.692 241 A CB 2.759 21.357 19.000 -0.670 0.000 1.291 241 A HN -0.572 7.482 8.150 -0.091 0.041 0.407 242 M N -1.042 118.423 119.600 -0.224 0.000 2.386 242 M HA 0.571 nan 4.480 nan 0.000 0.293 242 M C -1.743 174.397 176.300 -0.267 0.000 1.120 242 M CA -0.355 54.818 55.300 -0.212 0.000 0.909 242 M CB 4.582 37.095 32.600 -0.145 0.000 1.661 242 M HN 0.460 8.608 8.290 -0.236 0.000 0.452 243 L N 3.081 124.058 121.223 -0.410 0.000 2.276 243 L HA 0.650 nan 4.340 nan 0.000 0.286 243 L C -1.755 174.730 176.870 -0.641 0.000 1.024 243 L CA -0.800 53.663 54.840 -0.628 0.000 0.826 243 L CB 0.907 42.286 42.059 -1.134 0.000 1.211 243 L HN 0.653 8.629 8.230 -0.423 0.000 0.422 244 V N 4.040 123.797 119.914 -0.261 0.000 2.612 244 V HA 0.389 nan 4.120 nan 0.000 0.301 244 V C -0.902 175.372 176.094 0.300 0.000 1.046 244 V CA -1.853 60.442 62.300 -0.009 0.000 0.946 244 V CB 1.316 33.177 31.823 0.063 0.000 1.003 244 V HN 0.442 8.544 8.190 -0.147 0.000 0.459 245 A N 2.830 125.922 122.820 0.454 0.000 2.015 245 A HA -0.168 nan 4.320 nan 0.000 0.219 245 A C -1.486 176.405 177.584 0.511 0.000 1.163 245 A CA 2.472 54.840 52.037 0.552 0.000 0.646 245 A CB 0.854 20.090 19.000 0.395 0.000 0.806 245 A HN 0.451 8.794 8.150 0.322 0.000 0.448 246 N N -6.802 112.170 118.700 0.453 0.000 2.825 246 N HA 0.075 nan 4.740 nan 0.000 0.253 246 N C 0.031 175.704 175.510 0.272 0.000 1.426 246 N CA -1.175 52.095 53.050 0.367 0.000 0.851 246 N CB 2.098 40.764 38.487 0.299 0.000 1.470 246 N HN -0.912 7.696 8.380 0.380 0.000 0.517 247 D N 0.357 120.882 120.400 0.209 0.000 2.117 247 D HA -0.317 nan 4.640 nan 0.000 0.197 247 D C 1.843 178.310 176.300 0.277 0.000 0.987 247 D CA 3.741 57.864 54.000 0.205 0.000 0.829 247 D CB -0.268 40.604 40.800 0.120 0.000 0.961 247 D HN 0.106 8.587 8.370 0.185 0.000 0.460 248 Q N -0.835 119.076 119.800 0.186 0.000 2.030 248 Q HA -0.289 nan 4.340 nan 0.000 0.204 248 Q C 2.516 178.590 176.000 0.123 0.000 0.986 248 Q CA 3.296 59.169 55.803 0.117 0.000 0.843 248 Q CB -0.257 28.455 28.738 -0.043 0.000 0.904 248 Q HN 0.144 8.494 8.270 0.133 0.000 0.420 249 M N -1.342 118.351 119.600 0.155 0.000 2.213 249 M HA -0.355 nan 4.480 nan 0.000 0.263 249 M C 1.821 178.196 176.300 0.125 0.000 1.062 249 M CA 3.261 58.644 55.300 0.137 0.000 1.105 249 M CB -0.072 32.622 32.600 0.157 0.000 1.385 249 M HN -0.517 8.149 8.290 0.193 -0.259 0.417 250 A N 0.147 123.061 122.820 0.157 0.000 1.902 250 A HA -0.248 nan 4.320 nan 0.000 0.217 250 A C 1.800 179.463 177.584 0.132 0.000 1.181 250 A CA 3.008 55.133 52.037 0.147 0.000 0.623 250 A CB -0.940 18.170 19.000 0.184 0.000 0.818 250 A HN -0.448 7.721 8.150 0.189 0.095 0.443 251 L N -1.401 119.899 121.223 0.129 0.000 2.046 251 L HA -0.303 nan 4.340 nan 0.000 0.208 251 L C 2.185 179.047 176.870 -0.013 0.000 1.077 251 L CA 2.490 57.289 54.840 -0.068 0.000 0.747 251 L CB -0.497 41.373 42.059 -0.314 0.000 0.896 251 L HN -0.055 8.199 8.230 0.194 0.093 0.432 252 G N -2.458 106.373 108.800 0.052 0.000 2.418 252 G HA2 -0.412 nan 3.960 nan 0.000 0.217 252 G HA3 -0.412 nan 3.960 nan 0.000 0.217 252 G C 0.773 175.759 174.900 0.143 0.000 1.158 252 G CA 1.987 47.162 45.100 0.125 0.000 0.771 252 G HN -0.198 8.052 8.290 0.061 0.077 0.545 253 A N 1.950 124.816 122.820 0.077 0.000 1.930 253 A HA -0.201 nan 4.320 nan 0.000 0.217 253 A C 2.076 179.674 177.584 0.024 0.000 1.175 253 A CA 2.790 54.844 52.037 0.028 0.000 0.627 253 A CB -0.608 18.400 19.000 0.012 0.000 0.815 253 A HN -0.067 8.044 8.150 0.077 0.085 0.443 254 M N -2.369 117.256 119.600 0.042 0.000 2.296 254 M HA -0.356 nan 4.480 nan 0.000 0.265 254 M C 2.201 178.530 176.300 0.048 0.000 1.064 254 M CA 3.678 59.000 55.300 0.037 0.000 1.109 254 M CB -0.076 32.550 32.600 0.043 0.000 1.396 254 M HN -0.196 8.124 8.290 0.051 0.000 0.430 255 R N -0.138 120.414 120.500 0.087 0.000 2.119 255 R HA -0.143 nan 4.340 nan 0.000 0.222 255 R C 1.559 177.985 176.300 0.211 0.000 1.088 255 R CA 2.127 58.324 56.100 0.161 0.000 0.984 255 R CB -0.611 29.820 30.300 0.218 0.000 0.884 255 R HN -0.395 7.799 8.270 0.089 0.129 0.447 256 A N -0.709 122.164 122.820 0.088 0.000 2.072 256 A HA -0.032 nan 4.320 nan 0.000 0.216 256 A C 1.747 179.266 177.584 -0.108 0.000 1.156 256 A CA 2.514 54.442 52.037 -0.183 0.000 0.701 256 A CB -0.669 18.085 19.000 -0.411 0.000 0.816 256 A HN -0.328 7.772 8.150 0.090 0.105 0.458 257 I N -1.966 118.579 120.570 -0.043 0.000 2.235 257 I HA -0.501 nan 4.170 nan 0.000 0.241 257 I C 1.619 177.730 176.117 -0.010 0.000 1.085 257 I CA 4.651 65.932 61.300 -0.032 0.000 1.378 257 I CB 0.064 38.053 38.000 -0.017 0.000 1.076 257 I HN 0.021 8.192 8.210 -0.017 0.029 0.415 258 T N -1.464 113.098 114.554 0.013 0.000 2.788 258 T HA -0.341 nan 4.350 nan 0.000 0.268 258 T C 2.567 177.283 174.700 0.026 0.000 1.044 258 T CA 4.147 66.260 62.100 0.022 0.000 1.139 258 T CB -0.811 68.076 68.868 0.032 0.000 0.867 258 T HN -0.475 7.778 8.240 0.022 0.000 0.454 259 E N 1.942 122.168 120.200 0.043 0.000 2.171 259 E HA -0.162 nan 4.350 nan 0.000 0.197 259 E C 1.435 178.041 176.600 0.010 0.000 0.997 259 E CA 2.464 58.897 56.400 0.054 0.000 0.810 259 E CB -0.613 29.143 29.700 0.094 0.000 0.738 259 E HN -0.238 8.158 8.360 0.058 -0.001 0.467 260 S N -2.807 112.883 115.700 -0.018 0.000 2.631 260 S HA -0.002 nan 4.470 nan 0.000 0.217 260 S C -0.177 174.415 174.600 -0.013 0.000 0.958 260 S CA 0.093 58.276 58.200 -0.027 0.000 0.920 260 S CB 0.404 63.574 63.200 -0.049 0.000 0.776 260 S HN -0.705 7.446 8.310 -0.025 0.144 0.517 261 G N 0.553 109.352 108.800 -0.002 0.000 2.176 261 G HA2 -0.404 nan 3.960 nan 0.000 0.252 261 G HA3 -0.404 nan 3.960 nan 0.000 0.252 261 G C -1.168 173.732 174.900 -0.000 0.000 1.024 261 G CA 0.812 45.912 45.100 0.001 0.000 0.755 261 G HN 0.047 8.132 8.290 0.004 0.208 0.507 262 L N -2.384 118.837 121.223 -0.002 0.000 2.303 262 L HA 0.316 nan 4.340 nan 0.000 0.266 262 L C -1.114 175.758 176.870 0.005 0.000 1.011 262 L CA -2.148 52.692 54.840 -0.001 0.000 0.818 262 L CB 1.991 44.046 42.059 -0.008 0.000 1.326 262 L HN -0.573 7.630 8.230 -0.003 0.025 0.435 263 R N -0.390 120.115 120.500 0.008 0.000 2.668 263 R HA 0.244 nan 4.340 nan 0.000 0.279 263 R C -1.341 174.968 176.300 0.015 0.000 0.976 263 R CA -0.970 55.138 56.100 0.013 0.000 0.978 263 R CB 1.881 32.190 30.300 0.014 0.000 1.133 263 R HN -0.391 8.098 8.270 0.007 -0.216 0.484 264 V N 0.781 120.706 119.914 0.020 0.000 2.607 264 V HA 0.205 nan 4.120 nan 0.000 0.289 264 V C 1.249 177.360 176.094 0.028 0.000 1.053 264 V CA 0.697 63.011 62.300 0.022 0.000 0.996 264 V CB -0.049 31.792 31.823 0.030 0.000 0.995 264 V HN 0.359 8.562 8.190 0.022 0.000 0.476 265 G N 6.848 115.666 108.800 0.031 0.000 5.353 265 G HA2 -0.451 nan 3.960 nan 0.000 0.283 265 G HA3 -0.451 nan 3.960 nan 0.000 0.283 265 G C 0.089 175.016 174.900 0.045 0.000 1.457 265 G CA 1.250 46.376 45.100 0.043 0.000 0.951 265 G HN 0.320 8.521 8.290 0.022 0.102 0.731 266 A N 3.501 126.340 122.820 0.033 0.000 1.948 266 A HA -0.242 nan 4.320 nan 0.000 0.220 266 A C 0.321 177.922 177.584 0.027 0.000 1.177 266 A CA 2.521 54.574 52.037 0.026 0.000 0.636 266 A CB -0.116 18.895 19.000 0.019 0.000 0.815 266 A HN -0.084 8.043 8.150 0.030 0.041 0.449 267 D N -4.146 116.269 120.400 0.025 0.000 2.856 267 D HA 0.140 nan 4.640 nan 0.000 0.283 267 D C -0.609 175.708 176.300 0.028 0.000 1.051 267 D CA 2.455 56.468 54.000 0.022 0.000 0.965 267 D CB 3.096 43.902 40.800 0.010 0.000 1.201 267 D HN -0.632 7.654 8.370 0.023 0.097 0.474 268 I N -0.695 119.884 120.570 0.015 0.000 2.478 268 I HA 0.212 nan 4.170 nan 0.000 0.287 268 I C -1.301 174.802 176.117 -0.022 0.000 1.042 268 I CA -1.277 60.018 61.300 -0.007 0.000 1.067 268 I CB 2.725 40.710 38.000 -0.025 0.000 1.233 268 I HN -0.393 7.824 8.210 0.012 0.000 0.431 269 S N 8.029 123.689 115.700 -0.066 0.000 2.565 269 S HA 0.429 nan 4.470 nan 0.000 0.274 269 S C -1.621 172.911 174.600 -0.113 0.000 1.309 269 S CA -0.181 57.963 58.200 -0.093 0.000 1.043 269 S CB 0.630 63.704 63.200 -0.210 0.000 0.939 269 S HN 0.322 8.577 8.310 -0.092 0.000 0.504 270 V N 3.338 123.219 119.914 -0.056 0.000 2.577 270 V HA 0.497 nan 4.120 nan 0.000 0.303 270 V C -1.749 174.334 176.094 -0.018 0.000 1.042 270 V CA -0.463 61.810 62.300 -0.046 0.000 0.872 270 V CB 2.877 34.698 31.823 -0.003 0.000 0.998 270 V HN -0.021 8.157 8.190 -0.020 0.000 0.423 271 V N 6.074 125.964 119.914 -0.041 0.000 2.417 271 V HA 0.637 nan 4.120 nan 0.000 0.291 271 V C -0.546 175.563 176.094 0.024 0.000 1.024 271 V CA -1.924 60.368 62.300 -0.015 0.000 0.861 271 V CB 1.857 33.663 31.823 -0.029 0.000 0.985 271 V HN 0.281 8.419 8.190 -0.087 0.000 0.436 272 G N 6.357 115.187 108.800 0.050 0.000 2.714 272 G HA2 0.567 nan 3.960 nan 0.000 0.197 272 G HA3 0.567 nan 3.960 nan 0.000 0.197 272 G C -2.035 172.994 174.900 0.216 0.000 1.449 272 G CA -1.233 43.943 45.100 0.127 0.000 1.065 272 G HN 0.530 8.717 8.290 0.011 0.109 0.575 273 Y N -1.074 119.280 120.300 0.090 0.000 2.273 273 Y HA -0.032 nan 4.550 nan 0.000 0.316 273 Y C -2.567 173.363 175.900 0.051 0.000 1.294 273 Y CA 0.656 58.814 58.100 0.096 0.000 1.198 273 Y CB 2.425 41.016 38.460 0.218 0.000 1.299 273 Y HN -0.223 8.428 8.280 0.210 -0.245 0.413 274 D N 5.380 125.792 120.400 0.020 0.000 2.282 274 D HA -0.229 nan 4.640 nan 0.000 0.257 274 D C -1.458 174.780 176.300 -0.103 0.000 0.625 274 D CA 1.673 55.694 54.000 0.034 0.000 1.554 274 D CB 0.441 41.375 40.800 0.225 0.000 1.374 274 D HN 0.864 8.977 8.370 -0.259 0.103 0.738 275 D N -0.317 120.058 120.400 -0.042 0.000 2.845 275 D HA -0.292 nan 4.640 nan 0.000 0.247 275 D C -1.176 175.129 176.300 0.008 0.000 1.062 275 D CA 0.708 54.660 54.000 -0.079 0.000 0.774 275 D CB -0.315 40.395 40.800 -0.149 0.000 1.064 275 D HN 0.158 8.853 8.370 -0.000 -0.325 0.433 276 T N -3.694 110.902 114.554 0.070 0.000 2.919 276 T HA 0.094 nan 4.350 nan 0.000 0.302 276 T C 1.281 176.004 174.700 0.037 0.000 1.031 276 T CA -0.650 61.526 62.100 0.125 0.000 1.127 276 T CB 0.805 69.772 68.868 0.165 0.000 0.952 276 T HN -0.270 8.289 8.240 0.055 -0.286 0.540 277 E N 4.231 124.460 120.200 0.047 0.000 2.240 277 E HA -0.579 nan 4.350 nan 0.000 0.236 277 E C 1.430 178.015 176.600 -0.024 0.000 1.085 277 E CA 4.403 60.808 56.400 0.008 0.000 0.979 277 E CB -0.277 29.431 29.700 0.013 0.000 0.845 277 E HN 0.665 9.237 8.360 0.079 -0.164 0.483 278 D N -2.012 118.397 120.400 0.015 0.000 2.228 278 D HA -0.205 nan 4.640 nan 0.000 0.203 278 D C 2.487 178.678 176.300 -0.181 0.000 0.988 278 D CA 2.612 56.645 54.000 0.055 0.000 0.864 278 D CB -0.793 40.191 40.800 0.306 0.000 0.928 278 D HN 0.270 8.676 8.370 0.060 0.000 0.469 279 S N -0.452 114.936 115.700 -0.520 0.000 2.419 279 S HA -0.297 nan 4.470 nan 0.000 0.235 279 S C 1.588 175.938 174.600 -0.417 0.000 1.019 279 S CA 3.444 61.108 58.200 -0.892 0.000 0.982 279 S CB -0.517 62.308 63.200 -0.625 0.000 0.789 279 S HN -0.141 7.931 8.310 -0.330 0.040 0.490 280 S N 0.444 116.024 115.700 -0.199 0.000 2.382 280 S HA -0.201 nan 4.470 nan 0.000 0.228 280 S C 0.651 175.223 174.600 -0.046 0.000 1.027 280 S CA 2.409 60.550 58.200 -0.098 0.000 0.991 280 S CB 0.023 63.189 63.200 -0.056 0.000 0.823 280 S HN -0.522 7.650 8.310 -0.175 0.032 0.469 281 C N -0.367 118.923 119.300 -0.018 0.000 2.478 281 C HA 0.257 nan 4.460 nan 0.000 0.379 281 C C -1.821 173.312 174.990 0.238 0.000 1.470 281 C CA 0.007 59.082 59.018 0.095 0.000 2.066 281 C CB 1.286 29.104 27.740 0.130 0.000 2.001 281 C HN -0.537 7.533 8.230 -0.061 0.123 0.550 282 Y N -3.170 117.145 120.300 0.026 0.000 2.904 282 Y HA -0.157 nan 4.550 nan 0.000 0.385 282 Y C -1.570 174.345 175.900 0.025 0.000 0.974 282 Y CA 0.029 58.147 58.100 0.031 0.000 1.935 282 Y CB 0.209 38.689 38.460 0.034 0.000 1.752 282 Y HN -0.130 8.304 8.280 0.257 0.000 0.667 283 I N 3.142 123.797 120.570 0.143 0.000 2.439 283 I HA 0.370 nan 4.170 nan 0.000 0.283 283 I C -2.202 173.959 176.117 0.074 0.000 1.023 283 I CA -2.721 58.633 61.300 0.090 0.000 1.100 283 I CB 1.451 39.483 38.000 0.053 0.000 1.238 283 I HN 0.077 8.333 8.210 0.077 0.000 0.445 284 P HA 0.384 nan 4.420 nan 0.000 0.278 284 P C -2.662 174.702 177.300 0.107 0.000 1.266 284 P CA -2.222 60.925 63.100 0.078 0.000 0.807 284 P CB -0.281 31.453 31.700 0.057 0.000 1.094 285 P HA -0.147 nan 4.420 nan 0.000 0.260 285 P C -1.624 175.704 177.300 0.048 0.000 1.172 285 P CA 0.458 63.595 63.100 0.061 0.000 0.760 285 P CB 0.146 31.861 31.700 0.026 0.000 0.773 286 L N 6.648 127.885 121.223 0.023 0.000 2.369 286 L HA 0.222 nan 4.340 nan 0.000 0.279 286 L C -1.132 175.714 176.870 -0.040 0.000 1.108 286 L CA -0.579 54.266 54.840 0.010 0.000 0.852 286 L CB 0.520 42.561 42.059 -0.030 0.000 1.169 286 L HN -0.263 7.957 8.230 -0.017 0.000 0.452 287 T N 10.046 124.588 114.554 -0.020 0.000 2.851 287 T HA 0.323 nan 4.350 nan 0.000 0.298 287 T C -1.528 173.125 174.700 -0.079 0.000 0.977 287 T CA -0.075 61.987 62.100 -0.063 0.000 1.126 287 T CB 0.915 69.753 68.868 -0.050 0.000 0.916 287 T HN 0.409 8.656 8.240 0.012 0.000 0.529 288 T N 7.705 122.184 114.554 -0.124 0.000 2.731 288 T HA 0.530 nan 4.350 nan 0.000 0.300 288 T C -2.148 172.425 174.700 -0.212 0.000 1.283 288 T CA -1.187 60.835 62.100 -0.130 0.000 1.005 288 T CB 3.014 71.819 68.868 -0.104 0.000 1.420 288 T HN 0.476 8.629 8.240 -0.145 0.000 0.503 289 I N 1.951 122.338 120.570 -0.305 0.000 2.307 289 I HA 0.488 nan 4.170 nan 0.000 0.287 289 I C -1.145 174.719 176.117 -0.421 0.000 1.054 289 I CA -2.089 58.945 61.300 -0.444 0.000 1.218 289 I CB -0.576 36.909 38.000 -0.857 0.000 1.398 289 I HN 0.443 8.483 8.210 -0.283 0.000 0.475 290 K N 8.203 128.411 120.400 -0.321 0.000 2.368 290 K HA -0.003 nan 4.320 nan 0.000 0.282 290 K C -1.329 175.002 176.600 -0.448 0.000 1.035 290 K CA 0.221 56.309 56.287 -0.332 0.000 0.973 290 K CB 0.730 33.084 32.500 -0.243 0.000 0.957 290 K HN 0.487 8.574 8.250 -0.272 0.000 0.474 291 Q N 6.218 125.596 119.800 -0.704 0.000 2.327 291 Q HA 0.148 nan 4.340 nan 0.000 0.270 291 Q C -1.745 173.543 176.000 -1.186 0.000 1.022 291 Q CA -1.399 53.682 55.803 -1.203 0.000 0.773 291 Q CB 2.987 30.624 28.738 -1.836 0.000 1.251 291 Q HN 0.517 8.297 8.270 -0.680 0.083 0.457 292 D N 4.181 124.286 120.400 -0.491 0.000 2.344 292 D HA -0.023 nan 4.640 nan 0.000 0.253 292 D C -0.009 176.257 176.300 -0.058 0.000 1.255 292 D CA -0.693 53.171 54.000 -0.227 0.000 0.894 292 D CB 0.055 40.845 40.800 -0.017 0.000 1.067 292 D HN 0.402 8.660 8.370 -0.187 0.000 0.492 293 F N 4.783 124.807 119.950 0.124 0.000 2.811 293 F HA 0.004 nan 4.527 nan 0.000 0.301 293 F C 1.370 177.240 175.800 0.118 0.000 1.151 293 F CA 0.891 58.995 58.000 0.173 0.000 1.412 293 F CB -0.264 38.781 39.000 0.075 0.000 1.113 293 F HN -0.158 7.981 8.300 -0.268 0.000 0.579 294 R N 0.024 120.642 120.500 0.196 0.000 2.161 294 R HA -0.140 nan 4.340 nan 0.000 0.213 294 R C 1.797 178.158 176.300 0.102 0.000 1.055 294 R CA 2.873 59.049 56.100 0.126 0.000 0.996 294 R CB 0.164 30.510 30.300 0.076 0.000 0.901 294 R HN -0.610 7.879 8.270 0.133 -0.139 0.456 295 L N 1.051 122.339 121.223 0.107 0.000 2.007 295 L HA -0.173 nan 4.340 nan 0.000 0.205 295 L C 1.360 178.265 176.870 0.058 0.000 1.073 295 L CA 3.023 57.905 54.840 0.069 0.000 0.744 295 L CB -0.388 41.713 42.059 0.070 0.000 0.898 295 L HN -0.287 7.942 8.230 0.122 0.075 0.435 296 L N -2.572 118.714 121.223 0.106 0.000 2.129 296 L HA -0.268 nan 4.340 nan 0.000 0.212 296 L C 2.083 179.001 176.870 0.080 0.000 1.087 296 L CA 3.031 57.897 54.840 0.044 0.000 0.757 296 L CB -1.210 40.985 42.059 0.228 0.000 0.896 296 L HN -0.146 8.216 8.230 0.220 0.000 0.434 297 G N -2.706 106.168 108.800 0.124 0.000 2.464 297 G HA2 -0.412 nan 3.960 nan 0.000 0.214 297 G HA3 -0.412 nan 3.960 nan 0.000 0.214 297 G C 0.884 175.812 174.900 0.047 0.000 1.218 297 G CA 1.827 46.980 45.100 0.087 0.000 0.794 297 G HN -0.515 7.771 8.290 0.169 0.106 0.542 298 Q N 1.251 121.076 119.800 0.041 0.000 2.050 298 Q HA -0.328 nan 4.340 nan 0.000 0.202 298 Q C 2.479 178.485 176.000 0.010 0.000 0.980 298 Q CA 2.857 58.673 55.803 0.022 0.000 0.840 298 Q CB -0.786 27.963 28.738 0.020 0.000 0.898 298 Q HN -0.280 8.022 8.270 0.053 0.000 0.424 299 T N -1.779 112.777 114.554 0.002 0.000 2.624 299 T HA -0.422 nan 4.350 nan 0.000 0.268 299 T C 2.230 176.924 174.700 -0.010 0.000 1.041 299 T CA 4.245 66.337 62.100 -0.013 0.000 1.159 299 T CB -0.926 67.921 68.868 -0.037 0.000 0.863 299 T HN 0.503 8.747 8.240 0.007 0.000 0.434 300 S N 2.227 117.922 115.700 -0.007 0.000 2.382 300 S HA -0.283 nan 4.470 nan 0.000 0.228 300 S C 1.929 176.529 174.600 -0.000 0.000 1.027 300 S CA 3.510 61.708 58.200 -0.003 0.000 0.991 300 S CB -0.536 62.666 63.200 0.003 0.000 0.823 300 S HN -0.468 7.839 8.310 -0.004 0.000 0.469 301 V N 4.070 123.987 119.914 0.004 0.000 2.307 301 V HA -0.416 nan 4.120 nan 0.000 0.245 301 V C 2.167 178.261 176.094 0.000 0.000 1.045 301 V CA 4.571 66.872 62.300 0.002 0.000 1.024 301 V CB -0.880 30.946 31.823 0.006 0.000 0.651 301 V HN -0.052 8.064 8.190 0.009 0.079 0.449 302 D N -0.684 119.717 120.400 0.001 0.000 2.092 302 D HA -0.289 nan 4.640 nan 0.000 0.193 302 D C 2.295 178.595 176.300 -0.000 0.000 0.994 302 D CA 3.849 57.849 54.000 0.000 0.000 0.828 302 D CB -0.460 40.340 40.800 -0.000 0.000 0.963 302 D HN 0.139 8.511 8.370 0.002 0.000 0.450 303 R N 0.016 120.515 120.500 -0.001 0.000 2.080 303 R HA -0.282 nan 4.340 nan 0.000 0.236 303 R C 2.329 178.631 176.300 0.003 0.000 1.137 303 R CA 3.154 59.255 56.100 0.001 0.000 0.943 303 R CB 0.067 30.367 30.300 0.001 0.000 0.846 303 R HN 0.141 8.301 8.270 -0.003 0.108 0.431 304 L N 0.232 121.455 121.223 0.000 0.000 2.081 304 L HA -0.287 nan 4.340 nan 0.000 0.212 304 L C 2.191 179.060 176.870 -0.002 0.000 1.080 304 L CA 3.124 57.962 54.840 -0.002 0.000 0.754 304 L CB -0.741 41.312 42.059 -0.010 0.000 0.893 304 L HN 0.125 8.242 8.230 -0.001 0.112 0.433 305 L N -1.378 119.844 121.223 -0.001 0.000 2.027 305 L HA -0.437 nan 4.340 nan 0.000 0.206 305 L C 2.188 179.059 176.870 0.001 0.000 1.074 305 L CA 3.390 58.230 54.840 -0.001 0.000 0.745 305 L CB -1.080 40.979 42.059 -0.000 0.000 0.898 305 L HN 0.098 8.221 8.230 -0.001 0.107 0.433 306 Q N -0.867 118.935 119.800 0.002 0.000 2.030 306 Q HA -0.406 nan 4.340 nan 0.000 0.204 306 Q C 2.633 178.636 176.000 0.005 0.000 0.986 306 Q CA 3.418 59.223 55.803 0.003 0.000 0.843 306 Q CB -0.121 28.619 28.738 0.004 0.000 0.904 306 Q HN -0.110 8.085 8.270 0.002 0.077 0.420 307 L N -1.185 120.042 121.223 0.007 0.000 2.043 307 L HA -0.381 nan 4.340 nan 0.000 0.212 307 L C 2.285 179.160 176.870 0.008 0.000 1.075 307 L CA 3.032 57.878 54.840 0.011 0.000 0.752 307 L CB -0.259 41.808 42.059 0.014 0.000 0.891 307 L HN 0.441 8.675 8.230 0.006 0.000 0.432 308 S N -1.623 114.080 115.700 0.005 0.000 2.345 308 S HA -0.238 nan 4.470 nan 0.000 0.220 308 S C 2.146 176.748 174.600 0.004 0.000 1.031 308 S CA 2.712 60.914 58.200 0.003 0.000 0.996 308 S CB 0.130 63.330 63.200 0.000 0.000 0.882 308 S HN -0.229 7.877 8.310 0.004 0.206 0.445 309 Q N 0.975 120.777 119.800 0.003 0.000 2.642 309 Q HA -0.021 nan 4.340 nan 0.000 0.319 309 Q C 0.252 176.255 176.000 0.004 0.000 1.030 309 Q CA -0.762 55.043 55.803 0.003 0.000 0.943 309 Q CB -1.088 27.651 28.738 0.002 0.000 1.323 309 Q HN -0.009 8.071 8.270 0.003 0.191 0.419 310 G N -1.050 107.754 108.800 0.006 0.000 2.230 310 G HA2 -0.411 nan 3.960 nan 0.000 0.270 310 G HA3 -0.411 nan 3.960 nan 0.000 0.270 310 G C -0.146 174.758 174.900 0.006 0.000 0.987 310 G CA 0.651 45.754 45.100 0.006 0.000 0.664 310 G HN -0.264 7.931 8.290 0.006 0.098 0.539 311 Q N 2.001 121.804 119.800 0.006 0.000 2.513 311 Q HA -0.071 nan 4.340 nan 0.000 0.227 311 Q C -1.039 174.965 176.000 0.007 0.000 1.257 311 Q CA -1.379 54.427 55.803 0.006 0.000 0.915 311 Q CB -0.459 28.282 28.738 0.004 0.000 1.507 311 Q HN -0.218 7.962 8.270 0.006 0.092 0.543 312 A N 6.579 129.404 122.820 0.008 0.000 2.537 312 A HA -0.065 nan 4.320 nan 0.000 0.260 312 A C -0.469 177.120 177.584 0.009 0.000 1.082 312 A CA 1.231 53.274 52.037 0.010 0.000 0.765 312 A CB 0.332 19.337 19.000 0.009 0.000 1.019 312 A HN 0.024 8.157 8.150 0.007 0.021 0.507 313 V N -2.783 117.138 119.914 0.012 0.000 3.350 313 V HA 0.026 nan 4.120 nan 0.000 0.246 313 V C 0.732 176.834 176.094 0.014 0.000 1.363 313 V CA -0.061 62.246 62.300 0.011 0.000 1.162 313 V CB 0.355 32.184 31.823 0.010 0.000 0.947 313 V HN 0.151 8.350 8.190 0.014 0.000 0.454 314 K N -0.506 119.905 120.400 0.019 0.000 11.017 314 K HA -0.484 nan 4.320 nan 0.000 0.514 314 K C 0.837 177.452 176.600 0.025 0.000 0.416 314 K CA 2.160 58.460 56.287 0.022 0.000 1.853 314 K CB -2.245 30.265 32.500 0.016 0.000 0.797 314 K HN 0.136 8.398 8.250 0.020 0.000 1.242 315 G N 0.101 108.911 108.800 0.017 0.000 2.277 315 G HA2 -0.270 nan 3.960 nan 0.000 0.379 315 G HA3 -0.270 nan 3.960 nan 0.000 0.379 315 G C -0.890 174.022 174.900 0.019 0.000 1.354 315 G CA -0.440 44.669 45.100 0.015 0.000 1.158 315 G HN -0.157 8.141 8.290 0.014 0.000 0.629 316 N N -0.875 117.833 118.700 0.015 0.000 2.456 316 N HA 0.226 nan 4.740 nan 0.000 0.296 316 N C -1.407 174.109 175.510 0.010 0.000 1.102 316 N CA -0.736 52.324 53.050 0.017 0.000 0.924 316 N CB 1.908 40.406 38.487 0.017 0.000 1.186 316 N HN 0.020 8.407 8.380 0.012 0.000 0.492 317 Q N 0.803 120.604 119.800 0.002 0.000 2.331 317 Q HA 0.309 nan 4.340 nan 0.000 0.272 317 Q C -2.112 173.872 176.000 -0.027 0.000 1.062 317 Q CA -1.180 54.614 55.803 -0.014 0.000 0.806 317 Q CB 3.877 32.600 28.738 -0.025 0.000 1.312 317 Q HN 0.229 8.410 8.270 0.004 0.091 0.431 318 L N 3.397 124.607 121.223 -0.022 0.000 2.322 318 L HA 0.685 nan 4.340 nan 0.000 0.281 318 L C -1.242 175.596 176.870 -0.053 0.000 1.014 318 L CA -1.234 53.594 54.840 -0.019 0.000 0.815 318 L CB 1.640 43.712 42.059 0.021 0.000 1.247 318 L HN 0.245 8.465 8.230 -0.015 0.000 0.421 319 L N 3.374 124.535 121.223 -0.103 0.000 2.325 319 L HA 0.481 nan 4.340 nan 0.000 0.279 319 L C -1.174 175.728 176.870 0.054 0.000 1.054 319 L CA -2.733 52.042 54.840 -0.109 0.000 0.804 319 L CB 0.540 42.340 42.059 -0.432 0.000 1.200 319 L HN 0.667 8.730 8.230 -0.103 0.105 0.436 320 P HA -0.294 nan 4.420 nan 0.000 0.219 320 P C -0.983 176.358 177.300 0.068 0.000 1.159 320 P CA 2.591 65.722 63.100 0.053 0.000 0.944 320 P CB 0.048 31.766 31.700 0.030 0.000 0.792 321 V N -3.496 116.478 119.914 0.099 0.000 3.620 321 V HA -0.294 nan 4.120 nan 0.000 0.517 321 V C -1.583 174.465 176.094 -0.077 0.000 0.682 321 V CA 0.768 63.060 62.300 -0.013 0.000 2.072 321 V CB -0.012 31.816 31.823 0.009 0.000 2.489 321 V HN -0.106 8.181 8.190 0.161 0.000 0.513 322 S N 3.025 118.638 115.700 -0.145 0.000 2.588 322 S HA 0.267 nan 4.470 nan 0.000 0.269 322 S C -2.709 171.783 174.600 -0.180 0.000 1.157 322 S CA -0.871 57.247 58.200 -0.137 0.000 0.824 322 S CB 3.329 66.463 63.200 -0.111 0.000 1.126 322 S HN 0.214 8.402 8.310 -0.204 0.000 0.464 323 L N 1.679 122.805 121.223 -0.162 0.000 2.276 323 L HA 0.494 nan 4.340 nan 0.000 0.286 323 L C -1.722 175.040 176.870 -0.180 0.000 1.024 323 L CA -0.736 53.986 54.840 -0.196 0.000 0.826 323 L CB 1.200 43.132 42.059 -0.212 0.000 1.211 323 L HN 0.133 8.283 8.230 -0.132 0.000 0.422 324 V N 9.560 129.364 119.914 -0.183 0.000 2.334 324 V HA 0.146 nan 4.120 nan 0.000 0.267 324 V C -1.111 174.890 176.094 -0.155 0.000 1.040 324 V CA -0.837 61.374 62.300 -0.148 0.000 0.866 324 V CB 0.009 31.749 31.823 -0.138 0.000 1.019 324 V HN 0.794 8.863 8.190 -0.201 0.000 0.468 325 K N 7.956 128.274 120.400 -0.137 0.000 2.249 325 K HA 0.163 nan 4.320 nan 0.000 0.280 325 K C -1.069 175.498 176.600 -0.055 0.000 1.033 325 K CA 0.552 56.770 56.287 -0.115 0.000 0.946 325 K CB 0.849 33.304 32.500 -0.075 0.000 1.005 325 K HN 0.346 8.526 8.250 -0.117 0.000 0.469 326 R N 1.537 122.020 120.500 -0.028 0.000 2.905 326 R HA 0.382 nan 4.340 nan 0.000 0.095 326 R C 0.270 176.583 176.300 0.022 0.000 0.614 326 R CA -0.844 55.251 56.100 -0.007 0.000 0.416 326 R CB 1.736 32.023 30.300 -0.021 0.000 0.410 326 R HN 0.147 8.405 8.270 -0.021 0.000 0.325 327 K N -1.597 118.821 120.400 0.030 0.000 2.402 327 K HA 0.284 nan 4.320 nan 0.000 0.204 327 K C 0.540 177.170 176.600 0.051 0.000 1.056 327 K CA -0.167 56.145 56.287 0.042 0.000 1.069 327 K CB 1.535 34.057 32.500 0.038 0.000 0.888 327 K HN 0.512 8.657 8.250 0.025 0.120 0.546 328 T N -4.667 109.920 114.554 0.054 0.000 3.129 328 T HA 0.110 nan 4.350 nan 0.000 0.251 328 T C -0.758 173.974 174.700 0.054 0.000 1.117 328 T CA -0.058 62.074 62.100 0.053 0.000 1.034 328 T CB 0.133 69.034 68.868 0.055 0.000 0.968 328 T HN -0.663 7.606 8.240 0.049 0.000 0.526 329 T N 3.199 117.802 114.554 0.082 0.000 2.809 329 T HA 0.437 nan 4.350 nan 0.000 0.284 329 T C -1.484 173.278 174.700 0.102 0.000 0.992 329 T CA -0.261 61.905 62.100 0.110 0.000 0.957 329 T CB 0.269 69.281 68.868 0.239 0.000 0.942 329 T HN -0.497 7.706 8.240 0.082 0.086 0.439 330 L N 6.489 127.779 121.223 0.113 0.000 2.491 330 L HA 0.490 nan 4.340 nan 0.000 0.254 330 L C -2.230 174.704 176.870 0.107 0.000 1.048 330 L CA -0.990 53.895 54.840 0.074 0.000 0.855 330 L CB 4.848 46.937 42.059 0.050 0.000 1.466 330 L HN -0.314 8.005 8.230 0.147 0.000 0.409 331 A N -0.171 122.619 122.820 -0.051 0.000 2.480 331 A HA 0.486 nan 4.320 nan 0.000 0.289 331 A C -2.898 174.462 177.584 -0.375 0.000 1.044 331 A CA -0.819 51.023 52.037 -0.326 0.000 0.761 331 A CB 1.411 20.101 19.000 -0.517 0.000 1.289 331 A HN -0.002 8.114 8.150 -0.057 0.000 0.401 332 P HA 0.408 nan 4.420 nan 0.000 0.314 332 P C -2.137 175.113 177.300 -0.085 0.000 1.401 332 P CA -1.956 60.982 63.100 -0.271 0.000 1.175 332 P CB 2.915 34.395 31.700 -0.367 0.000 1.676 333 N N 0.590 119.286 118.700 -0.007 0.000 2.440 333 N HA -0.112 nan 4.740 nan 0.000 0.265 333 N C 1.502 177.003 175.510 -0.016 0.000 1.239 333 N CA 0.952 53.998 53.050 -0.008 0.000 0.909 333 N CB 0.659 39.151 38.487 0.009 0.000 1.066 333 N HN 0.288 8.694 8.380 0.043 0.000 0.474 334 T N 1.031 115.572 114.554 -0.022 0.000 2.896 334 T HA 0.016 nan 4.350 nan 0.000 0.263 334 T C 0.419 175.111 174.700 -0.013 0.000 1.050 334 T CA 0.816 62.903 62.100 -0.021 0.000 1.140 334 T CB 0.077 68.930 68.868 -0.024 0.000 0.877 334 T HN 0.442 8.668 8.240 -0.024 0.000 0.457 335 Q N 0.340 120.135 119.800 -0.010 0.000 2.364 335 Q HA 0.366 nan 4.340 nan 0.000 0.204 335 Q C -1.146 174.852 176.000 -0.004 0.000 1.002 335 Q CA -0.599 55.200 55.803 -0.007 0.000 1.012 335 Q CB 1.821 30.555 28.738 -0.006 0.000 1.188 335 Q HN -0.364 8.066 8.270 -0.010 -0.165 0.522 336 T N -2.473 112.079 114.554 -0.003 0.000 3.003 336 T HA 0.089 nan 4.350 nan 0.000 0.354 336 T C -2.175 172.523 174.700 -0.003 0.000 1.651 336 T CA 0.590 62.689 62.100 -0.003 0.000 1.103 336 T CB 0.460 69.326 68.868 -0.003 0.000 1.450 336 T HN -0.032 8.206 8.240 -0.004 0.000 0.484 337 A N 6.108 128.927 122.820 -0.002 0.000 2.540 337 A HA 0.082 nan 4.320 nan 0.000 0.239 337 A C -0.370 177.213 177.584 -0.002 0.000 1.061 337 A CA 0.388 52.424 52.037 -0.002 0.000 0.758 337 A CB 0.303 19.302 19.000 -0.001 0.000 0.991 337 A HN 0.474 8.622 8.150 -0.002 0.000 0.502 338 S N 2.465 118.163 115.700 -0.002 0.000 2.693 338 S HA 0.223 nan 4.470 nan 0.000 0.276 338 S C -1.001 173.598 174.600 -0.002 0.000 1.192 338 S CA -2.521 55.678 58.200 -0.002 0.000 0.994 338 S CB 0.890 64.088 63.200 -0.002 0.000 1.012 338 S HN -0.093 8.216 8.310 -0.002 0.000 0.550 339 P HA -0.190 nan 4.420 nan 0.000 0.216 339 P C 1.461 178.760 177.300 -0.001 0.000 1.150 339 P CA 2.843 65.942 63.100 -0.002 0.000 0.843 339 P CB -0.072 31.627 31.700 -0.002 0.000 0.787 340 R N -3.239 117.260 120.500 -0.001 0.000 2.083 340 R HA -0.261 nan 4.340 nan 0.000 0.237 340 R C 2.116 178.415 176.300 -0.001 0.000 1.137 340 R CA 2.643 58.742 56.100 -0.001 0.000 0.951 340 R CB -1.261 29.038 30.300 -0.001 0.000 0.851 340 R HN 0.405 8.663 8.270 -0.002 0.011 0.434 341 A N -0.688 122.131 122.820 -0.001 0.000 1.902 341 A HA -0.194 nan 4.320 nan 0.000 0.217 341 A C 2.433 180.017 177.584 -0.000 0.000 1.181 341 A CA 2.921 54.958 52.037 -0.000 0.000 0.623 341 A CB -0.837 18.163 19.000 -0.001 0.000 0.818 341 A HN -0.655 7.411 8.150 -0.001 0.083 0.443 342 L N -2.214 119.009 121.223 -0.001 0.000 2.056 342 L HA -0.404 nan 4.340 nan 0.000 0.207 342 L C 2.265 179.135 176.870 -0.000 0.000 1.078 342 L CA 2.812 57.652 54.840 -0.000 0.000 0.749 342 L CB -0.581 41.478 42.059 -0.001 0.000 0.901 342 L HN -0.022 8.208 8.230 -0.001 0.000 0.433 343 A N -0.600 122.219 122.820 -0.000 0.000 1.908 343 A HA -0.477 nan 4.320 nan 0.000 0.218 343 A C 2.004 179.588 177.584 0.000 0.000 1.181 343 A CA 3.446 55.483 52.037 -0.000 0.000 0.627 343 A CB -1.135 17.865 19.000 -0.000 0.000 0.818 343 A HN 0.612 8.762 8.150 -0.001 0.000 0.445 344 D N -0.983 119.417 120.400 0.000 0.000 2.103 344 D HA -0.350 nan 4.640 nan 0.000 0.190 344 D C 2.524 178.824 176.300 0.001 0.000 0.997 344 D CA 3.419 57.420 54.000 0.001 0.000 0.833 344 D CB -0.471 40.329 40.800 0.000 0.000 0.961 344 D HN -0.130 8.240 8.370 0.000 0.000 0.447 345 S N 0.812 116.513 115.700 0.001 0.000 2.365 345 S HA -0.328 nan 4.470 nan 0.000 0.225 345 S C 2.287 176.888 174.600 0.002 0.000 1.039 345 S CA 3.729 61.929 58.200 0.002 0.000 1.033 345 S CB -0.179 63.022 63.200 0.002 0.000 0.887 345 S HN -0.467 7.843 8.310 0.001 0.000 0.447 346 L N 0.489 121.713 121.223 0.001 0.000 2.079 346 L HA -0.437 nan 4.340 nan 0.000 0.210 346 L C 2.040 178.911 176.870 0.001 0.000 1.081 346 L CA 3.073 57.914 54.840 0.001 0.000 0.752 346 L CB -0.402 41.658 42.059 0.001 0.000 0.896 346 L HN 0.338 8.511 8.230 0.001 0.057 0.433 347 M N -1.710 117.891 119.600 0.001 0.000 2.065 347 M HA -0.455 nan 4.480 nan 0.000 0.259 347 M C 2.340 178.641 176.300 0.001 0.000 1.071 347 M CA 3.108 58.408 55.300 0.001 0.000 1.109 347 M CB -1.267 31.334 32.600 0.001 0.000 1.313 347 M HN 0.158 8.220 8.290 0.001 0.229 0.408 348 Q N -0.837 118.964 119.800 0.002 0.000 2.167 348 Q HA -0.246 nan 4.340 nan 0.000 0.202 348 Q C 2.786 178.787 176.000 0.002 0.000 0.970 348 Q CA 2.715 58.519 55.803 0.002 0.000 0.855 348 Q CB -0.422 28.317 28.738 0.002 0.000 0.911 348 Q HN -0.336 7.935 8.270 0.002 0.000 0.438 349 L N -0.136 121.088 121.223 0.002 0.000 2.093 349 L HA -0.243 nan 4.340 nan 0.000 0.208 349 L C 2.231 179.102 176.870 0.002 0.000 1.085 349 L CA 2.010 56.852 54.840 0.003 0.000 0.755 349 L CB -1.690 40.371 42.059 0.003 0.000 0.904 349 L HN 0.349 8.565 8.230 0.002 0.016 0.435 350 A N -0.168 122.653 122.820 0.002 0.000 1.858 350 A HA -0.359 nan 4.320 nan 0.000 0.216 350 A C 2.277 179.862 177.584 0.002 0.000 1.190 350 A CA 3.345 55.383 52.037 0.002 0.000 0.617 350 A CB -0.776 18.225 19.000 0.002 0.000 0.827 350 A HN 0.604 8.558 8.150 0.002 0.198 0.443 351 R N -1.800 118.701 120.500 0.002 0.000 2.094 351 R HA -0.409 nan 4.340 nan 0.000 0.239 351 R C 2.687 178.988 176.300 0.002 0.000 1.137 351 R CA 2.957 59.058 56.100 0.002 0.000 0.943 351 R CB -0.681 29.620 30.300 0.002 0.000 0.850 351 R HN 0.111 8.382 8.270 0.002 0.000 0.433 352 Q N -1.024 118.777 119.800 0.002 0.000 2.096 352 Q HA -0.298 nan 4.340 nan 0.000 0.204 352 Q C 2.618 178.619 176.000 0.002 0.000 0.982 352 Q CA 3.213 59.017 55.803 0.002 0.000 0.850 352 Q CB -0.108 28.631 28.738 0.003 0.000 0.901 352 Q HN 0.142 8.305 8.270 0.002 0.108 0.422 353 V N -0.299 119.616 119.914 0.002 0.000 2.407 353 V HA -0.318 nan 4.120 nan 0.000 0.248 353 V C 2.055 178.151 176.094 0.002 0.000 1.055 353 V CA 3.199 65.500 62.300 0.002 0.000 1.049 353 V CB -0.673 31.151 31.823 0.002 0.000 0.662 353 V HN 0.009 8.122 8.190 0.002 0.078 0.455 354 S N -0.592 115.109 115.700 0.002 0.000 2.348 354 S HA -0.203 nan 4.470 nan 0.000 0.221 354 S C 1.843 176.444 174.600 0.002 0.000 1.033 354 S CA 2.570 60.771 58.200 0.002 0.000 1.010 354 S CB 0.305 63.506 63.200 0.001 0.000 0.891 354 S HN -0.138 8.071 8.310 0.002 0.103 0.442 355 R N -0.691 119.810 120.500 0.002 0.000 2.113 355 R HA -0.296 nan 4.340 nan 0.000 0.244 355 R C 1.207 177.508 176.300 0.002 0.000 1.142 355 R CA 1.952 58.053 56.100 0.002 0.000 0.953 355 R CB 0.113 30.414 30.300 0.002 0.000 0.860 355 R HN -0.241 8.030 8.270 0.002 0.000 0.438 356 L N 0.000 121.224 121.223 0.002 0.000 2.949 356 L HA 0.000 nan 4.340 nan 0.000 0.249 356 L CA 0.000 54.841 54.840 0.002 0.000 0.813 356 L CB 0.000 42.060 42.059 0.002 0.000 0.961 356 L HN 0.000 8.220 8.230 0.002 0.011 0.502