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_A 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 0.000 174.594 174.600 -0.009 0.000 1.055 61 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 61 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 62 L N -0.358 120.859 121.223 -0.010 0.000 2.470 62 L HA 0.383 nan 4.340 nan 0.000 0.243 62 L C -1.300 175.561 176.870 -0.014 0.000 1.227 62 L CA 0.420 55.253 54.840 -0.012 0.000 0.824 62 L CB 0.715 42.767 42.059 -0.012 0.000 1.175 62 L HN -0.131 8.094 8.230 -0.009 0.000 0.503 63 L N -0.873 120.340 121.223 -0.017 0.000 2.385 63 L HA 0.619 nan 4.340 nan 0.000 0.273 63 L C -1.968 174.888 176.870 -0.025 0.000 0.990 63 L CA -0.891 53.937 54.840 -0.020 0.000 0.821 63 L CB 2.704 44.751 42.059 -0.021 0.000 1.279 63 L HN -0.390 7.830 8.230 -0.017 0.000 0.412 64 I N 4.785 125.340 120.570 -0.026 0.000 2.354 64 I HA 0.515 nan 4.170 nan 0.000 0.292 64 I C -1.450 174.644 176.117 -0.038 0.000 0.989 64 I CA -1.366 59.914 61.300 -0.032 0.000 1.188 64 I CB 2.328 40.311 38.000 -0.029 0.000 1.342 64 I HN 1.042 9.112 8.210 -0.024 0.126 0.457 65 G N 5.962 114.734 108.800 -0.047 0.000 2.343 65 G HA2 0.556 nan 3.960 nan 0.000 0.319 65 G HA3 0.556 nan 3.960 nan 0.000 0.319 65 G C -2.373 172.490 174.900 -0.062 0.000 1.126 65 G CA -1.488 43.580 45.100 -0.054 0.000 0.889 65 G HN 0.766 9.027 8.290 -0.049 0.000 0.457 66 V N 3.769 123.649 119.914 -0.056 0.000 2.409 66 V HA 0.641 nan 4.120 nan 0.000 0.291 66 V C -1.746 174.314 176.094 -0.057 0.000 1.020 66 V CA -2.025 60.240 62.300 -0.057 0.000 0.848 66 V CB 2.069 33.867 31.823 -0.042 0.000 0.990 66 V HN 0.748 8.907 8.190 -0.051 0.000 0.430 67 A N 8.388 131.169 122.820 -0.065 0.000 2.280 67 A HA 0.679 nan 4.320 nan 0.000 0.320 67 A C -2.108 175.467 177.584 -0.015 0.000 1.366 67 A CA -1.693 50.308 52.037 -0.061 0.000 0.938 67 A CB 0.901 19.850 19.000 -0.085 0.000 1.157 67 A HN 0.838 8.941 8.150 -0.078 0.000 0.536 68 T N 4.465 119.018 114.554 -0.002 0.000 2.918 68 T HA 0.594 nan 4.350 nan 0.000 0.286 68 T C -1.145 173.615 174.700 0.101 0.000 1.026 68 T CA -2.428 59.697 62.100 0.042 0.000 1.031 68 T CB 1.966 70.838 68.868 0.007 0.000 1.046 68 T HN 0.823 9.050 8.240 -0.022 0.000 0.479 69 S N 4.079 119.883 115.700 0.174 0.000 2.671 69 S HA 0.188 nan 4.470 nan 0.000 0.272 69 S C -0.227 174.434 174.600 0.101 0.000 1.174 69 S CA -1.214 57.134 58.200 0.246 0.000 1.004 69 S CB 0.989 64.316 63.200 0.211 0.000 1.077 69 S HN 0.178 8.561 8.310 0.121 0.000 0.553 70 S N 0.593 116.351 115.700 0.096 0.000 2.885 70 S HA -0.170 nan 4.470 nan 0.000 0.334 70 S C 0.522 175.136 174.600 0.025 0.000 1.224 70 S CA 0.473 58.707 58.200 0.057 0.000 1.080 70 S CB 0.149 63.389 63.200 0.067 0.000 0.801 70 S HN 0.225 8.617 8.310 0.137 0.000 0.510 71 L N 7.621 128.857 121.223 0.023 0.000 2.675 71 L HA -0.091 nan 4.340 nan 0.000 0.239 71 L C 0.129 177.023 176.870 0.039 0.000 1.151 71 L CA 0.208 55.057 54.840 0.015 0.000 0.905 71 L CB -1.171 40.893 42.059 0.009 0.000 1.057 71 L HN 0.601 8.847 8.230 0.027 0.000 0.435 72 A N -0.598 122.251 122.820 0.048 0.000 2.021 72 A HA -0.068 nan 4.320 nan 0.000 0.216 72 A C -0.120 177.523 177.584 0.098 0.000 1.163 72 A CA 1.240 53.321 52.037 0.074 0.000 0.676 72 A CB 0.352 19.389 19.000 0.062 0.000 0.818 72 A HN -0.574 7.483 8.150 0.040 0.117 0.453 73 L N -2.948 118.295 121.223 0.033 0.000 2.395 73 L HA 0.036 nan 4.340 nan 0.000 0.269 73 L C 0.876 177.764 176.870 0.030 0.000 1.133 73 L CA -0.567 54.238 54.840 -0.058 0.000 0.812 73 L CB 0.310 42.299 42.059 -0.116 0.000 1.125 73 L HN -0.753 7.464 8.230 0.018 0.023 0.452 74 H N 2.624 121.663 119.070 -0.052 0.000 2.363 74 H HA -0.208 nan 4.556 nan 0.000 0.301 74 H C 1.551 176.768 175.328 -0.185 0.000 1.074 74 H CA 2.118 58.121 56.048 -0.075 0.000 1.354 74 H CB -0.583 29.169 29.762 -0.016 0.000 1.397 74 H HN 0.177 8.449 8.280 -0.505 -0.295 0.516 75 A N -0.326 122.389 122.820 -0.176 0.000 1.873 75 A HA -0.228 nan 4.320 nan 0.000 0.218 75 A C -0.761 176.518 177.584 -0.507 0.000 1.193 75 A CA 4.593 56.326 52.037 -0.507 0.000 0.629 75 A CB -2.557 16.162 19.000 -0.469 0.000 0.826 75 A HN 0.551 8.605 8.150 -0.160 0.000 0.447 76 P HA -0.283 nan 4.420 nan 0.000 0.214 76 P C 1.940 179.147 177.300 -0.154 0.000 1.163 76 P CA 3.530 66.505 63.100 -0.209 0.000 0.883 76 P CB -0.367 31.253 31.700 -0.135 0.000 0.788 77 S N -1.500 114.141 115.700 -0.099 0.000 2.400 77 S HA -0.426 nan 4.470 nan 0.000 0.232 77 S C 2.432 176.981 174.600 -0.084 0.000 1.025 77 S CA 3.721 61.885 58.200 -0.061 0.000 0.993 77 S CB -0.326 62.863 63.200 -0.019 0.000 0.808 77 S HN -0.610 7.657 8.310 -0.073 0.000 0.478 78 Q N 1.352 121.067 119.800 -0.142 0.000 2.123 78 Q HA -0.245 nan 4.340 nan 0.000 0.199 78 Q C 2.529 178.458 176.000 -0.118 0.000 0.966 78 Q CA 3.085 58.814 55.803 -0.124 0.000 0.845 78 Q CB 0.092 28.741 28.738 -0.148 0.000 0.907 78 Q HN 0.027 8.073 8.270 -0.187 0.112 0.439 79 I N 0.789 121.224 120.570 -0.224 0.000 2.163 79 I HA -0.494 nan 4.170 nan 0.000 0.240 79 I C 1.684 177.779 176.117 -0.036 0.000 1.081 79 I CA 4.696 65.934 61.300 -0.103 0.000 1.353 79 I CB -0.127 37.796 38.000 -0.129 0.000 1.054 79 I HN 0.252 8.167 8.210 -0.325 0.099 0.407 80 V N -0.530 119.352 119.914 -0.054 0.000 2.282 80 V HA -0.551 nan 4.120 nan 0.000 0.249 80 V C 1.723 177.807 176.094 -0.017 0.000 1.057 80 V CA 4.644 66.926 62.300 -0.031 0.000 1.032 80 V CB -1.438 30.365 31.823 -0.033 0.000 0.645 80 V HN 0.167 8.307 8.190 -0.083 0.000 0.447 81 A N -1.643 121.166 122.820 -0.018 0.000 1.883 81 A HA -0.409 nan 4.320 nan 0.000 0.217 81 A C 1.713 179.303 177.584 0.010 0.000 1.186 81 A CA 3.427 55.461 52.037 -0.005 0.000 0.624 81 A CB -0.917 18.081 19.000 -0.004 0.000 0.822 81 A HN -0.140 7.991 8.150 -0.031 0.000 0.444 82 A N -1.541 121.295 122.820 0.027 0.000 1.902 82 A HA -0.314 nan 4.320 nan 0.000 0.217 82 A C 2.076 179.678 177.584 0.030 0.000 1.181 82 A CA 2.924 54.988 52.037 0.045 0.000 0.623 82 A CB -0.801 18.252 19.000 0.089 0.000 0.818 82 A HN -0.370 7.723 8.150 0.025 0.073 0.443 83 I N -1.361 119.221 120.570 0.019 0.000 2.163 83 I HA -0.636 nan 4.170 nan 0.000 0.243 83 I C 1.766 177.884 176.117 0.002 0.000 1.085 83 I CA 4.194 65.498 61.300 0.008 0.000 1.347 83 I CB -0.370 37.629 38.000 -0.003 0.000 1.044 83 I HN 0.096 8.231 8.210 0.018 0.086 0.408 84 K N -0.130 120.270 120.400 -0.001 0.000 2.057 84 K HA -0.400 nan 4.320 nan 0.000 0.207 84 K C 2.569 179.169 176.600 0.000 0.000 1.049 84 K CA 3.666 59.951 56.287 -0.003 0.000 0.931 84 K CB -0.314 32.182 32.500 -0.005 0.000 0.714 84 K HN -0.072 8.177 8.250 -0.001 0.000 0.440 85 S N -0.338 115.365 115.700 0.005 0.000 2.370 85 S HA -0.332 nan 4.470 nan 0.000 0.226 85 S C 2.191 176.794 174.600 0.006 0.000 1.033 85 S CA 3.902 62.106 58.200 0.006 0.000 1.011 85 S CB -0.466 62.742 63.200 0.012 0.000 0.852 85 S HN -0.269 8.046 8.310 0.008 0.000 0.457 86 R N 1.421 121.925 120.500 0.007 0.000 2.075 86 R HA -0.279 nan 4.340 nan 0.000 0.230 86 R C 1.851 178.151 176.300 0.000 0.000 1.140 86 R CA 2.227 58.330 56.100 0.005 0.000 0.928 86 R CB -0.827 29.477 30.300 0.007 0.000 0.834 86 R HN -0.606 7.671 8.270 0.010 0.000 0.429 87 A N -1.266 121.553 122.820 -0.002 0.000 1.884 87 A HA -0.376 nan 4.320 nan 0.000 0.219 87 A C 2.481 180.062 177.584 -0.005 0.000 1.197 87 A CA 3.187 55.221 52.037 -0.006 0.000 0.637 87 A CB -1.110 17.885 19.000 -0.009 0.000 0.827 87 A HN -0.077 8.072 8.150 -0.002 0.000 0.450 88 D N -1.472 118.925 120.400 -0.004 0.000 2.154 88 D HA -0.377 nan 4.640 nan 0.000 0.190 88 D C 3.160 179.458 176.300 -0.003 0.000 1.003 88 D CA 3.224 57.221 54.000 -0.004 0.000 0.849 88 D CB -0.556 40.243 40.800 -0.002 0.000 0.942 88 D HN -0.011 8.361 8.370 -0.003 -0.004 0.446 89 Q N -0.610 119.189 119.800 -0.001 0.000 2.061 89 Q HA -0.287 nan 4.340 nan 0.000 0.204 89 Q C 2.311 178.310 176.000 -0.002 0.000 0.984 89 Q CA 2.710 58.513 55.803 -0.001 0.000 0.846 89 Q CB 0.199 28.937 28.738 0.000 0.000 0.902 89 Q HN -0.612 7.583 8.270 -0.000 0.075 0.421 90 L N -4.765 116.457 121.223 -0.003 0.000 2.660 90 L HA 0.057 nan 4.340 nan 0.000 0.238 90 L C 0.245 177.112 176.870 -0.005 0.000 1.161 90 L CA -0.321 54.517 54.840 -0.004 0.000 0.937 90 L CB -0.635 41.422 42.059 -0.004 0.000 1.122 90 L HN -0.485 7.666 8.230 -0.003 0.077 0.435 91 G N -2.521 106.276 108.800 -0.005 0.000 2.180 91 G HA2 -0.430 nan 3.960 nan 0.000 0.263 91 G HA3 -0.430 nan 3.960 nan 0.000 0.263 91 G C -0.559 174.337 174.900 -0.007 0.000 0.989 91 G CA 0.452 45.548 45.100 -0.006 0.000 0.692 91 G HN -0.291 7.779 8.290 -0.004 0.217 0.526 92 A N -0.009 122.806 122.820 -0.008 0.000 2.296 92 A HA 0.239 nan 4.320 nan 0.000 0.264 92 A C -1.515 176.062 177.584 -0.011 0.000 1.097 92 A CA -0.079 51.952 52.037 -0.010 0.000 0.811 92 A CB 1.294 20.287 19.000 -0.011 0.000 1.072 92 A HN -0.399 7.691 8.150 -0.007 0.056 0.495 93 S N -1.891 113.801 115.700 -0.013 0.000 2.664 93 S HA 0.425 nan 4.470 nan 0.000 0.304 93 S C -1.635 172.954 174.600 -0.018 0.000 1.099 93 S CA -1.597 56.594 58.200 -0.015 0.000 1.003 93 S CB 2.374 65.565 63.200 -0.015 0.000 1.092 93 S HN -0.038 8.166 8.310 -0.014 0.097 0.525 94 V N 0.228 120.131 119.914 -0.019 0.000 2.668 94 V HA 0.506 nan 4.120 nan 0.000 0.304 94 V C -1.575 174.504 176.094 -0.024 0.000 1.071 94 V CA -0.507 61.779 62.300 -0.022 0.000 0.894 94 V CB 2.939 34.750 31.823 -0.020 0.000 1.008 94 V HN -0.121 8.058 8.190 -0.017 0.000 0.425 95 V N 8.391 128.287 119.914 -0.030 0.000 2.444 95 V HA 0.558 nan 4.120 nan 0.000 0.294 95 V C -2.110 173.962 176.094 -0.036 0.000 1.022 95 V CA -1.268 61.013 62.300 -0.032 0.000 0.850 95 V CB 3.021 34.823 31.823 -0.036 0.000 0.992 95 V HN 0.834 9.004 8.190 -0.032 0.000 0.426 96 V N 8.771 128.665 119.914 -0.033 0.000 2.481 96 V HA 0.633 nan 4.120 nan 0.000 0.286 96 V C -1.085 174.986 176.094 -0.038 0.000 1.042 96 V CA -1.277 61.002 62.300 -0.034 0.000 0.928 96 V CB 0.613 32.420 31.823 -0.027 0.000 0.986 96 V HN 0.286 8.459 8.190 -0.030 0.000 0.462 97 S N 5.517 121.191 115.700 -0.043 0.000 2.594 97 S HA 0.394 nan 4.470 nan 0.000 0.296 97 S C -1.672 172.901 174.600 -0.045 0.000 1.124 97 S CA -1.166 57.005 58.200 -0.049 0.000 1.011 97 S CB 2.740 65.901 63.200 -0.066 0.000 1.016 97 S HN 0.878 9.162 8.310 -0.044 0.000 0.485 98 M N 5.578 125.156 119.600 -0.037 0.000 2.264 98 M HA 0.588 nan 4.480 nan 0.000 0.352 98 M C -0.637 175.633 176.300 -0.049 0.000 1.173 98 M CA -0.143 55.142 55.300 -0.025 0.000 1.075 98 M CB 1.488 34.085 32.600 -0.005 0.000 1.621 98 M HN 0.151 8.421 8.290 -0.035 0.000 0.457 99 V N 4.239 124.116 119.914 -0.062 0.000 2.732 99 V HA 0.201 nan 4.120 nan 0.000 0.310 99 V C -1.312 174.772 176.094 -0.016 0.000 1.053 99 V CA -1.816 60.386 62.300 -0.163 0.000 0.957 99 V CB 1.404 32.884 31.823 -0.572 0.000 1.018 99 V HN 0.758 8.943 8.190 -0.009 0.000 0.452 100 E N 1.955 122.142 120.200 -0.022 0.000 2.283 100 E HA 0.173 nan 4.350 nan 0.000 0.271 100 E C 0.868 177.592 176.600 0.208 0.000 1.031 100 E CA -1.479 54.970 56.400 0.081 0.000 0.868 100 E CB 1.124 30.850 29.700 0.044 0.000 1.094 100 E HN 0.124 8.423 8.360 -0.103 0.000 0.401 101 R N 2.180 122.811 120.500 0.219 0.000 2.395 101 R HA -0.216 nan 4.340 nan 0.000 0.203 101 R C 0.353 176.786 176.300 0.222 0.000 1.076 101 R CA 1.367 57.614 56.100 0.245 0.000 1.059 101 R CB -1.341 29.046 30.300 0.144 0.000 0.860 101 R HN 0.498 8.861 8.270 0.156 0.000 0.476 102 S N -2.414 113.400 115.700 0.190 0.000 2.423 102 S HA -0.141 nan 4.470 nan 0.000 0.231 102 S C 0.685 175.386 174.600 0.168 0.000 1.014 102 S CA 1.299 59.579 58.200 0.134 0.000 0.965 102 S CB 0.220 63.467 63.200 0.078 0.000 0.785 102 S HN -0.346 7.944 8.310 0.160 0.116 0.495 103 G N -2.017 106.964 108.800 0.303 0.000 2.482 103 G HA2 -0.336 nan 3.960 nan 0.000 0.214 103 G HA3 -0.336 nan 3.960 nan 0.000 0.214 103 G C 0.141 175.163 174.900 0.204 0.000 1.271 103 G CA -0.641 44.658 45.100 0.332 0.000 0.944 103 G HN -0.494 8.019 8.290 0.417 0.028 0.568 104 V N 1.691 121.702 119.914 0.163 0.000 2.279 104 V HA -0.591 nan 4.120 nan 0.000 0.258 104 V C 1.927 178.052 176.094 0.052 0.000 1.078 104 V CA 3.694 66.055 62.300 0.102 0.000 1.096 104 V CB -0.678 31.186 31.823 0.068 0.000 0.740 104 V HN 0.397 8.686 8.190 0.166 0.000 0.465 105 E N 0.439 120.661 120.200 0.036 0.000 2.047 105 E HA -0.319 nan 4.350 nan 0.000 0.191 105 E C 1.659 178.251 176.600 -0.014 0.000 0.987 105 E CA 2.586 58.991 56.400 0.009 0.000 0.799 105 E CB -0.900 28.805 29.700 0.008 0.000 0.752 105 E HN -0.001 8.387 8.360 0.047 0.000 0.449 106 A N -0.405 122.399 122.820 -0.027 0.000 1.902 106 A HA -0.260 nan 4.320 nan 0.000 0.217 106 A C 2.311 179.799 177.584 -0.161 0.000 1.181 106 A CA 3.181 55.172 52.037 -0.076 0.000 0.623 106 A CB -0.977 17.977 19.000 -0.076 0.000 0.818 106 A HN -0.226 7.925 8.150 0.002 0.000 0.443 107 C N -1.773 117.386 119.300 -0.235 0.000 2.446 107 C HA -0.334 nan 4.460 nan 0.000 0.277 107 C C 1.905 176.842 174.990 -0.089 0.000 1.275 107 C CA 3.663 62.508 59.018 -0.288 0.000 1.727 107 C CB -1.706 25.891 27.740 -0.237 0.000 2.010 107 C HN 0.067 8.190 8.230 -0.171 0.004 0.486 108 K N -0.404 119.985 120.400 -0.019 0.000 2.063 108 K HA -0.436 nan 4.320 nan 0.000 0.208 108 K C 2.119 178.755 176.600 0.059 0.000 1.048 108 K CA 3.706 60.007 56.287 0.025 0.000 0.928 108 K CB -0.254 32.257 32.500 0.019 0.000 0.713 108 K HN 0.077 8.140 8.250 -0.017 0.177 0.442 109 A N -1.878 120.974 122.820 0.053 0.000 1.978 109 A HA -0.227 nan 4.320 nan 0.000 0.220 109 A C 1.982 179.668 177.584 0.169 0.000 1.170 109 A CA 2.869 55.014 52.037 0.179 0.000 0.636 109 A CB -0.995 18.054 19.000 0.083 0.000 0.810 109 A HN 0.359 8.327 8.150 0.005 0.185 0.448 110 A N -1.256 121.570 122.820 0.009 0.000 1.841 110 A HA -0.273 nan 4.320 nan 0.000 0.214 110 A C 2.018 179.573 177.584 -0.048 0.000 1.195 110 A CA 3.089 55.094 52.037 -0.054 0.000 0.611 110 A CB -0.707 18.222 19.000 -0.118 0.000 0.835 110 A HN -0.437 7.577 8.150 -0.036 0.115 0.443 111 V N -0.058 119.843 119.914 -0.021 0.000 2.282 111 V HA -0.535 nan 4.120 nan 0.000 0.249 111 V C 1.778 177.878 176.094 0.009 0.000 1.057 111 V CA 4.929 67.221 62.300 -0.013 0.000 1.032 111 V CB -1.356 30.471 31.823 0.008 0.000 0.645 111 V HN 0.156 8.333 8.190 -0.021 0.000 0.447 112 H N -1.630 117.422 119.070 -0.030 0.000 2.387 112 H HA -0.386 nan 4.556 nan 0.000 0.299 112 H C 1.919 177.232 175.328 -0.024 0.000 1.099 112 H CA 4.029 60.064 56.048 -0.022 0.000 1.315 112 H CB -0.594 29.158 29.762 -0.017 0.000 1.380 112 H HN 0.424 8.820 8.280 0.194 0.000 0.513 113 N N 0.335 118.668 118.700 -0.612 0.000 2.120 113 N HA -0.274 nan 4.740 nan 0.000 0.188 113 N C 2.301 177.659 175.510 -0.254 0.000 1.024 113 N CA 2.686 55.417 53.050 -0.531 0.000 0.852 113 N CB -0.444 37.851 38.487 -0.321 0.000 1.003 113 N HN -0.463 7.595 8.380 -0.347 0.115 0.424 114 L N -1.272 119.853 121.223 -0.164 0.000 2.109 114 L HA -0.253 nan 4.340 nan 0.000 0.207 114 L C 2.590 179.412 176.870 -0.080 0.000 1.086 114 L CA 2.668 57.447 54.840 -0.103 0.000 0.760 114 L CB -0.015 41.995 42.059 -0.082 0.000 0.910 114 L HN -0.437 7.605 8.230 -0.154 0.096 0.437 115 L N -0.611 120.571 121.223 -0.068 0.000 2.079 115 L HA -0.396 nan 4.340 nan 0.000 0.210 115 L C 1.934 178.779 176.870 -0.041 0.000 1.081 115 L CA 2.962 57.781 54.840 -0.036 0.000 0.752 115 L CB -0.730 41.328 42.059 -0.002 0.000 0.896 115 L HN 0.200 8.305 8.230 -0.074 0.080 0.433 116 A N -2.794 119.985 122.820 -0.070 0.000 2.119 116 A HA -0.169 nan 4.320 nan 0.000 0.217 116 A C 1.005 178.555 177.584 -0.058 0.000 1.153 116 A CA 2.148 54.149 52.037 -0.061 0.000 0.692 116 A CB -0.610 18.335 19.000 -0.091 0.000 0.799 116 A HN -0.283 7.797 8.150 -0.110 0.004 0.458 117 Q N -1.873 117.887 119.800 -0.067 0.000 2.253 117 Q HA -0.033 nan 4.340 nan 0.000 0.210 117 Q C -0.326 175.649 176.000 -0.040 0.000 0.907 117 Q CA -0.946 54.824 55.803 -0.055 0.000 0.948 117 Q CB -0.230 28.470 28.738 -0.063 0.000 1.033 117 Q HN -0.462 7.545 8.270 -0.079 0.216 0.471 118 R N -3.334 117.145 120.500 -0.034 0.000 1.305 118 R HA -0.521 nan 4.340 nan 0.000 0.021 118 R C -1.248 175.036 176.300 -0.027 0.000 0.959 118 R CA 1.754 57.839 56.100 -0.025 0.000 1.968 118 R CB -1.302 28.984 30.300 -0.022 0.000 0.170 118 R HN -0.468 7.672 8.270 -0.035 0.109 0.730 119 V N 0.803 120.699 119.914 -0.030 0.000 3.726 119 V HA -0.325 nan 4.120 nan 0.000 0.523 119 V C 0.609 176.687 176.094 -0.026 0.000 0.682 119 V CA 1.352 63.633 62.300 -0.031 0.000 2.072 119 V CB 0.033 31.831 31.823 -0.040 0.000 2.478 119 V HN -0.157 7.984 8.190 -0.030 0.031 0.514 120 S N 5.028 120.713 115.700 -0.024 0.000 2.458 120 S HA 0.074 nan 4.470 nan 0.000 0.223 120 S C -0.398 174.189 174.600 -0.022 0.000 1.019 120 S CA 1.748 59.937 58.200 -0.020 0.000 0.937 120 S CB 1.211 64.400 63.200 -0.017 0.000 0.788 120 S HN 0.829 9.014 8.310 -0.026 0.109 0.511 121 G N -2.715 106.067 108.800 -0.030 0.000 2.646 121 G HA2 0.487 nan 3.960 nan 0.000 0.291 121 G HA3 0.487 nan 3.960 nan 0.000 0.291 121 G C -3.466 171.402 174.900 -0.054 0.000 1.445 121 G CA 0.455 45.533 45.100 -0.037 0.000 0.814 121 G HN -0.898 7.373 8.290 -0.033 0.000 0.495 122 L N -0.607 120.570 121.223 -0.076 0.000 2.381 122 L HA 0.949 nan 4.340 nan 0.000 0.268 122 L C -1.217 175.569 176.870 -0.141 0.000 0.997 122 L CA -1.247 53.531 54.840 -0.105 0.000 0.818 122 L CB 3.873 45.856 42.059 -0.126 0.000 1.310 122 L HN 0.787 8.972 8.230 -0.076 0.000 0.416 123 I N 1.198 121.690 120.570 -0.130 0.000 2.382 123 I HA 0.397 nan 4.170 nan 0.000 0.286 123 I C -1.212 174.808 176.117 -0.162 0.000 1.002 123 I CA -0.768 60.449 61.300 -0.139 0.000 1.135 123 I CB 1.915 39.868 38.000 -0.078 0.000 1.288 123 I HN 0.745 8.892 8.210 -0.106 0.000 0.448 124 I N 7.858 128.270 120.570 -0.262 0.000 2.282 124 I HA 0.051 nan 4.170 nan 0.000 0.290 124 I C -1.294 174.802 176.117 -0.035 0.000 1.090 124 I CA -0.410 60.762 61.300 -0.212 0.000 1.231 124 I CB -0.409 37.289 38.000 -0.504 0.000 1.434 124 I HN 1.120 8.996 8.210 -0.364 0.117 0.487 125 N N 7.604 126.318 118.700 0.024 0.000 2.575 125 N HA 0.030 nan 4.740 nan 0.000 0.275 125 N C -2.086 173.498 175.510 0.124 0.000 1.202 125 N CA -0.992 52.092 53.050 0.056 0.000 0.945 125 N CB 0.720 39.215 38.487 0.013 0.000 1.247 125 N HN 0.154 8.537 8.380 0.006 0.000 0.510 126 Y N 0.392 120.709 120.300 0.028 0.000 2.485 126 Y HA 0.271 nan 4.550 nan 0.000 0.345 126 Y C -3.010 172.943 175.900 0.088 0.000 0.998 126 Y CA -2.930 55.198 58.100 0.047 0.000 1.059 126 Y CB 2.693 41.181 38.460 0.047 0.000 1.234 126 Y HN -0.937 7.396 8.280 0.245 0.095 0.461 127 P HA 0.119 nan 4.420 nan 0.000 0.271 127 P C -1.740 175.478 177.300 -0.136 0.000 1.233 127 P CA 0.239 63.167 63.100 -0.287 0.000 0.764 127 P CB 0.163 31.643 31.700 -0.367 0.000 0.825 128 L N 5.523 126.750 121.223 0.007 0.000 2.493 128 L HA 0.190 nan 4.340 nan 0.000 0.265 128 L C -1.292 175.573 176.870 -0.007 0.000 0.954 128 L CA -0.903 53.967 54.840 0.051 0.000 0.844 128 L CB 3.821 45.960 42.059 0.133 0.000 1.302 128 L HN -0.328 7.907 8.230 0.007 0.000 0.405 129 D N 2.144 122.539 120.400 -0.008 0.000 2.384 129 D HA -0.049 nan 4.640 nan 0.000 0.244 129 D C 0.695 176.966 176.300 -0.048 0.000 1.251 129 D CA -0.587 53.396 54.000 -0.029 0.000 0.961 129 D CB 0.983 41.772 40.800 -0.019 0.000 1.116 129 D HN 0.125 8.502 8.370 0.012 0.000 0.484 130 D N 0.770 121.136 120.400 -0.057 0.000 2.154 130 D HA -0.372 nan 4.640 nan 0.000 0.190 130 D C 2.511 178.767 176.300 -0.074 0.000 1.003 130 D CA 4.613 58.568 54.000 -0.075 0.000 0.849 130 D CB -0.019 40.748 40.800 -0.056 0.000 0.942 130 D HN 0.195 8.536 8.370 -0.048 0.000 0.446 131 Q N -2.468 117.305 119.800 -0.044 0.000 2.084 131 Q HA -0.283 nan 4.340 nan 0.000 0.202 131 Q C 2.377 178.363 176.000 -0.023 0.000 0.978 131 Q CA 3.199 58.984 55.803 -0.031 0.000 0.844 131 Q CB -0.219 28.509 28.738 -0.015 0.000 0.898 131 Q HN 0.362 8.611 8.270 -0.035 0.000 0.426 132 D N -0.135 120.260 120.400 -0.009 0.000 2.183 132 D HA -0.170 nan 4.640 nan 0.000 0.203 132 D C 1.783 178.091 176.300 0.014 0.000 0.969 132 D CA 2.682 56.697 54.000 0.026 0.000 0.842 132 D CB -0.714 40.124 40.800 0.063 0.000 0.957 132 D HN -0.709 7.654 8.370 -0.011 0.000 0.484 133 A N 0.660 123.434 122.820 -0.077 0.000 1.877 133 A HA -0.237 nan 4.320 nan 0.000 0.216 133 A C 2.054 179.463 177.584 -0.291 0.000 1.186 133 A CA 3.312 55.183 52.037 -0.277 0.000 0.620 133 A CB -0.574 18.167 19.000 -0.430 0.000 0.822 133 A HN 0.330 8.333 8.150 -0.080 0.099 0.443 134 I N -2.147 118.316 120.570 -0.178 0.000 2.315 134 I HA -0.527 nan 4.170 nan 0.000 0.248 134 I C 1.877 177.987 176.117 -0.012 0.000 1.117 134 I CA 3.744 64.985 61.300 -0.099 0.000 1.404 134 I CB -0.366 37.592 38.000 -0.070 0.000 1.071 134 I HN -0.126 7.991 8.210 -0.155 0.000 0.419 135 A N 0.491 123.314 122.820 0.006 0.000 1.858 135 A HA -0.268 nan 4.320 nan 0.000 0.216 135 A C 2.154 179.786 177.584 0.080 0.000 1.190 135 A CA 3.495 55.554 52.037 0.037 0.000 0.617 135 A CB -0.806 18.214 19.000 0.034 0.000 0.827 135 A HN -0.248 7.815 8.150 -0.012 0.080 0.443 136 V N -0.685 119.306 119.914 0.127 0.000 2.287 136 V HA -0.549 nan 4.120 nan 0.000 0.248 136 V C 2.029 178.287 176.094 0.274 0.000 1.053 136 V CA 4.379 66.808 62.300 0.216 0.000 1.027 136 V CB -0.935 31.099 31.823 0.351 0.000 0.646 136 V HN 0.216 8.361 8.190 0.104 0.108 0.447 137 E N -0.782 119.647 120.200 0.380 0.000 2.038 137 E HA -0.407 nan 4.350 nan 0.000 0.195 137 E C 2.495 179.194 176.600 0.165 0.000 1.000 137 E CA 3.189 59.805 56.400 0.361 0.000 0.803 137 E CB -0.128 29.746 29.700 0.291 0.000 0.750 137 E HN 0.039 8.581 8.360 0.304 0.000 0.448 138 A N -1.193 121.692 122.820 0.107 0.000 2.024 138 A HA -0.202 nan 4.320 nan 0.000 0.220 138 A C 2.202 179.823 177.584 0.061 0.000 1.164 138 A CA 2.600 54.677 52.037 0.066 0.000 0.643 138 A CB -0.925 18.101 19.000 0.043 0.000 0.806 138 A HN -0.101 8.107 8.150 0.097 0.000 0.451 139 A N -2.633 120.231 122.820 0.074 0.000 2.067 139 A HA -0.052 nan 4.320 nan 0.000 0.217 139 A C 1.552 179.171 177.584 0.058 0.000 1.156 139 A CA 2.008 54.081 52.037 0.061 0.000 0.683 139 A CB -0.430 18.608 19.000 0.064 0.000 0.808 139 A HN -0.167 7.887 8.150 0.096 0.153 0.455 140 C N -4.479 114.859 119.300 0.064 0.000 2.466 140 C HA -0.156 nan 4.460 nan 0.000 0.283 140 C C -0.568 174.441 174.990 0.032 0.000 1.472 140 C CA 0.382 59.424 59.018 0.040 0.000 1.765 140 C CB -2.306 25.456 27.740 0.036 0.000 1.724 140 C HN -0.274 7.838 8.230 0.089 0.171 0.560 141 T N 2.171 116.747 114.554 0.037 0.000 2.286 141 T HA -0.376 nan 4.350 nan 0.000 0.529 141 T C 0.424 175.137 174.700 0.022 0.000 0.839 141 T CA 1.212 63.329 62.100 0.028 0.000 2.802 141 T CB -1.996 66.888 68.868 0.026 0.000 1.699 141 T HN -0.398 7.797 8.240 0.044 0.071 0.428 142 N N -2.229 116.485 118.700 0.024 0.000 2.633 142 N HA -0.465 nan 4.740 nan 0.000 0.228 142 N C -0.472 175.047 175.510 0.015 0.000 0.811 142 N CA 2.125 55.187 53.050 0.019 0.000 1.896 142 N CB -0.869 37.627 38.487 0.014 0.000 0.893 142 N HN 0.385 8.782 8.380 0.029 0.000 0.567 143 V N 4.627 124.547 119.914 0.009 0.000 2.557 143 V HA 0.018 nan 4.120 nan 0.000 0.301 143 V C -1.079 175.014 176.094 -0.001 0.000 1.026 143 V CA -0.605 61.695 62.300 -0.000 0.000 1.137 143 V CB -0.846 30.972 31.823 -0.009 0.000 0.917 143 V HN -0.217 7.880 8.190 0.010 0.099 0.484 144 P HA -0.073 nan 4.420 nan 0.000 0.262 144 P C -2.070 175.215 177.300 -0.026 0.000 1.182 144 P CA 0.339 63.438 63.100 -0.002 0.000 0.761 144 P CB 0.498 32.196 31.700 -0.004 0.000 0.795 145 A N 2.060 124.866 122.820 -0.025 0.000 2.393 145 A HA 0.661 nan 4.320 nan 0.000 0.306 145 A C -1.751 175.766 177.584 -0.112 0.000 1.050 145 A CA -1.244 50.724 52.037 -0.115 0.000 0.724 145 A CB 3.182 22.090 19.000 -0.154 0.000 1.248 145 A HN -0.000 8.160 8.150 0.017 0.000 0.424 146 L N 1.873 122.968 121.223 -0.214 0.000 2.376 146 L HA 0.505 nan 4.340 nan 0.000 0.275 146 L C -2.075 174.657 176.870 -0.231 0.000 0.987 146 L CA -1.048 53.729 54.840 -0.105 0.000 0.828 146 L CB 4.029 46.060 42.059 -0.045 0.000 1.249 146 L HN 0.644 8.719 8.230 -0.259 0.000 0.409 147 F N 5.245 125.204 119.950 0.015 0.000 2.410 147 F HA 0.451 nan 4.527 nan 0.000 0.349 147 F C -0.066 175.743 175.800 0.016 0.000 1.117 147 F CA -0.086 57.928 58.000 0.023 0.000 1.104 147 F CB 0.762 39.778 39.000 0.027 0.000 1.122 147 F HN 0.518 9.067 8.300 0.415 0.000 0.483 148 L N 0.969 122.286 121.223 0.156 0.000 2.638 148 L HA 0.151 nan 4.340 nan 0.000 0.232 148 L C -0.270 176.668 176.870 0.113 0.000 1.099 148 L CA 0.517 55.420 54.840 0.104 0.000 0.883 148 L CB 0.446 42.544 42.059 0.065 0.000 1.136 148 L HN 0.190 8.498 8.230 0.130 0.000 0.492 149 D N -0.992 119.486 120.400 0.130 0.000 2.943 149 D HA 0.183 nan 4.640 nan 0.000 0.347 149 D C -1.702 174.639 176.300 0.069 0.000 1.305 149 D CA -0.586 53.460 54.000 0.078 0.000 0.870 149 D CB 0.706 41.523 40.800 0.030 0.000 1.081 149 D HN -0.419 8.063 8.370 0.187 0.000 0.492 150 V N -7.570 112.383 119.914 0.065 0.000 3.139 150 V HA 0.683 nan 4.120 nan 0.000 0.310 150 V C -1.810 174.271 176.094 -0.022 0.000 1.260 150 V CA -4.089 58.217 62.300 0.011 0.000 1.064 150 V CB 3.330 35.144 31.823 -0.016 0.000 1.160 150 V HN -0.749 7.489 8.190 0.080 0.000 0.470 151 S N 0.612 116.284 115.700 -0.047 0.000 2.499 151 S HA 0.247 nan 4.470 nan 0.000 0.279 151 S C 0.915 175.510 174.600 -0.008 0.000 1.219 151 S CA -1.950 56.218 58.200 -0.054 0.000 1.062 151 S CB 1.052 64.218 63.200 -0.057 0.000 0.978 151 S HN 0.155 8.429 8.310 -0.059 0.000 0.489 152 D N 5.738 126.163 120.400 0.041 0.000 2.389 152 D HA -0.226 nan 4.640 nan 0.000 0.221 152 D C 0.185 176.511 176.300 0.044 0.000 0.974 152 D CA 2.203 56.244 54.000 0.069 0.000 0.923 152 D CB -0.856 40.025 40.800 0.136 0.000 0.892 152 D HN 0.714 9.111 8.370 0.044 0.000 0.518 153 Q N -2.345 117.471 119.800 0.026 0.000 2.188 153 Q HA 0.122 nan 4.340 nan 0.000 0.212 153 Q C -0.027 175.964 176.000 -0.016 0.000 0.846 153 Q CA -0.483 55.328 55.803 0.012 0.000 0.989 153 Q CB 1.036 29.785 28.738 0.019 0.000 1.114 153 Q HN -0.689 7.508 8.270 0.020 0.086 0.488 154 T N 4.311 118.843 114.554 -0.036 0.000 2.767 154 T HA 0.389 nan 4.350 nan 0.000 0.288 154 T C -1.609 173.049 174.700 -0.070 0.000 0.963 154 T CA -1.923 60.133 62.100 -0.072 0.000 1.019 154 T CB 0.219 69.013 68.868 -0.124 0.000 0.923 154 T HN -0.088 8.071 8.240 -0.028 0.064 0.468 155 P HA 0.101 nan 4.420 nan 0.000 0.235 155 P C -1.743 175.525 177.300 -0.053 0.000 1.720 155 P CA 0.441 63.515 63.100 -0.043 0.000 1.003 155 P CB -1.937 29.742 31.700 -0.034 0.000 1.968 156 I N -4.744 115.793 120.570 -0.055 0.000 3.102 156 I HA 0.342 nan 4.170 nan 0.000 0.310 156 I C -1.984 174.167 176.117 0.057 0.000 1.246 156 I CA -2.342 58.942 61.300 -0.027 0.000 0.979 156 I CB 3.960 41.820 38.000 -0.233 0.000 1.267 156 I HN -0.428 7.704 8.210 -0.045 0.051 0.451 157 N N 2.965 121.751 118.700 0.144 0.000 2.420 157 N HA 0.200 nan 4.740 nan 0.000 0.262 157 N C -0.793 174.827 175.510 0.183 0.000 1.144 157 N CA 0.657 53.785 53.050 0.130 0.000 0.952 157 N CB -0.338 38.214 38.487 0.108 0.000 1.081 157 N HN 0.425 8.918 8.380 0.188 0.000 0.480 158 S N 2.005 117.775 115.700 0.117 0.000 2.685 158 S HA 0.843 nan 4.470 nan 0.000 0.282 158 S C -1.621 173.009 174.600 0.050 0.000 1.159 158 S CA -0.997 57.275 58.200 0.120 0.000 0.833 158 S CB 3.624 66.901 63.200 0.129 0.000 1.151 158 S HN 0.120 8.476 8.310 0.076 0.000 0.485 159 I N 0.342 120.927 120.570 0.025 0.000 2.603 159 I HA 0.280 nan 4.170 nan 0.000 0.276 159 I C -1.314 174.756 176.117 -0.078 0.000 1.133 159 I CA 0.054 61.327 61.300 -0.045 0.000 1.070 159 I CB 1.177 39.130 38.000 -0.079 0.000 1.215 159 I HN -0.338 7.902 8.210 0.050 0.000 0.487 160 I N -0.656 119.888 120.570 -0.043 0.000 2.648 160 I HA 0.480 nan 4.170 nan 0.000 0.304 160 I C -1.305 174.801 176.117 -0.018 0.000 1.009 160 I CA -2.035 59.265 61.300 0.000 0.000 1.114 160 I CB 3.336 41.390 38.000 0.089 0.000 1.293 160 I HN -0.439 7.761 8.210 -0.016 0.000 0.449 161 F N 1.566 121.579 119.950 0.106 0.000 2.435 161 F HA 0.151 nan 4.527 nan 0.000 0.316 161 F C 0.176 176.059 175.800 0.140 0.000 1.220 161 F CA 0.227 58.283 58.000 0.094 0.000 1.241 161 F CB 0.703 39.754 39.000 0.086 0.000 1.234 161 F HN -0.008 8.485 8.300 0.321 0.000 0.569 162 S N 0.339 116.232 115.700 0.321 0.000 2.400 162 S HA 0.216 nan 4.470 nan 0.000 0.295 162 S C 0.850 175.573 174.600 0.205 0.000 1.113 162 S CA -1.653 56.661 58.200 0.191 0.000 1.064 162 S CB -0.112 63.131 63.200 0.071 0.000 0.990 162 S HN 0.202 8.715 8.310 0.339 0.000 0.502 163 H N 6.306 125.469 119.070 0.156 0.000 2.462 163 H HA -0.100 nan 4.556 nan 0.000 0.292 163 H C 1.770 177.179 175.328 0.135 0.000 1.049 163 H CA 2.163 58.302 56.048 0.151 0.000 1.334 163 H CB -0.175 29.631 29.762 0.073 0.000 1.404 163 H HN 0.369 8.943 8.280 0.490 0.000 0.544 164 E N -0.244 119.758 120.200 -0.329 0.000 2.077 164 E HA -0.347 nan 4.350 nan 0.000 0.193 164 E C 2.121 178.675 176.600 -0.076 0.000 0.989 164 E CA 2.967 59.298 56.400 -0.115 0.000 0.800 164 E CB -0.630 28.989 29.700 -0.135 0.000 0.746 164 E HN -0.236 7.721 8.360 -0.617 0.033 0.452 165 D N -0.538 119.824 120.400 -0.063 0.000 2.097 165 D HA -0.143 nan 4.640 nan 0.000 0.197 165 D C 2.402 178.671 176.300 -0.051 0.000 0.984 165 D CA 2.855 56.811 54.000 -0.073 0.000 0.826 165 D CB -0.399 40.377 40.800 -0.039 0.000 0.973 165 D HN -0.688 7.645 8.370 -0.056 0.003 0.460 166 G N -0.981 107.848 108.800 0.048 0.000 2.459 166 G HA2 -0.387 nan 3.960 nan 0.000 0.217 166 G HA3 -0.387 nan 3.960 nan 0.000 0.217 166 G C 1.205 176.237 174.900 0.220 0.000 1.183 166 G CA 2.601 47.758 45.100 0.095 0.000 0.776 166 G HN -0.253 8.094 8.290 0.095 0.000 0.552 167 T N 0.541 115.262 114.554 0.278 0.000 2.746 167 T HA -0.305 nan 4.350 nan 0.000 0.267 167 T C 1.909 176.683 174.700 0.124 0.000 1.039 167 T CA 3.674 66.000 62.100 0.377 0.000 1.142 167 T CB -0.715 68.354 68.868 0.335 0.000 0.866 167 T HN -0.332 8.053 8.240 0.242 0.000 0.444 168 R N 2.442 122.739 120.500 -0.338 0.000 2.070 168 R HA -0.300 nan 4.340 nan 0.000 0.232 168 R C 1.751 177.912 176.300 -0.231 0.000 1.138 168 R CA 3.014 58.671 56.100 -0.739 0.000 0.936 168 R CB -0.329 29.342 30.300 -1.048 0.000 0.839 168 R HN -0.473 7.599 8.270 -0.330 0.000 0.429 169 L N -2.672 118.463 121.223 -0.148 0.000 2.081 169 L HA -0.377 nan 4.340 nan 0.000 0.212 169 L C 2.296 179.164 176.870 -0.003 0.000 1.080 169 L CA 2.709 57.508 54.840 -0.068 0.000 0.754 169 L CB -0.474 41.533 42.059 -0.086 0.000 0.893 169 L HN 0.343 8.469 8.230 -0.173 0.000 0.433 170 G N -1.478 107.348 108.800 0.044 0.000 2.434 170 G HA2 -0.303 nan 3.960 nan 0.000 0.214 170 G HA3 -0.303 nan 3.960 nan 0.000 0.214 170 G C 1.220 176.163 174.900 0.071 0.000 1.202 170 G CA 2.052 47.197 45.100 0.075 0.000 0.788 170 G HN -0.229 7.993 8.290 0.067 0.107 0.539 171 V N 2.016 121.978 119.914 0.079 0.000 2.515 171 V HA -0.430 nan 4.120 nan 0.000 0.250 171 V C 2.475 178.618 176.094 0.081 0.000 1.058 171 V CA 3.403 65.746 62.300 0.072 0.000 1.064 171 V CB -1.031 30.878 31.823 0.144 0.000 0.675 171 V HN -0.170 8.091 8.190 0.119 0.000 0.461 172 E N -1.420 118.826 120.200 0.077 0.000 2.072 172 E HA -0.413 nan 4.350 nan 0.000 0.191 172 E C 1.887 178.540 176.600 0.090 0.000 0.985 172 E CA 3.299 59.742 56.400 0.072 0.000 0.801 172 E CB -0.351 29.375 29.700 0.044 0.000 0.750 172 E HN -0.029 8.350 8.360 0.056 0.015 0.452 173 H N 0.761 119.834 119.070 0.006 0.000 2.353 173 H HA -0.203 nan 4.556 nan 0.000 0.300 173 H C 2.382 177.736 175.328 0.042 0.000 1.090 173 H CA 3.497 59.552 56.048 0.011 0.000 1.327 173 H CB 0.461 30.219 29.762 -0.007 0.000 1.383 173 H HN -0.696 7.695 8.280 0.186 0.000 0.508 174 L N -3.160 118.091 121.223 0.046 0.000 2.217 174 L HA -0.235 nan 4.340 nan 0.000 0.211 174 L C 1.901 178.834 176.870 0.106 0.000 1.107 174 L CA 2.447 57.316 54.840 0.048 0.000 0.783 174 L CB 0.057 42.110 42.059 -0.009 0.000 0.919 174 L HN -0.506 7.795 8.230 0.118 0.000 0.442 175 V N -4.273 115.671 119.914 0.051 0.000 2.535 175 V HA -0.141 nan 4.120 nan 0.000 0.246 175 V C 2.190 178.280 176.094 -0.006 0.000 1.045 175 V CA 2.766 65.088 62.300 0.036 0.000 1.058 175 V CB -1.179 30.670 31.823 0.043 0.000 0.689 175 V HN -0.348 7.759 8.190 0.048 0.112 0.461 176 A N 1.698 124.506 122.820 -0.020 0.000 1.940 176 A HA -0.284 nan 4.320 nan 0.000 0.219 176 A C 1.500 179.035 177.584 -0.081 0.000 1.176 176 A CA 2.935 54.946 52.037 -0.043 0.000 0.631 176 A CB -0.517 18.459 19.000 -0.040 0.000 0.814 176 A HN 0.225 8.371 8.150 -0.007 0.000 0.446 177 L N -4.860 116.294 121.223 -0.114 0.000 2.376 177 L HA -0.093 nan 4.340 nan 0.000 0.219 177 L C 0.641 177.371 176.870 -0.233 0.000 1.133 177 L CA 0.603 55.350 54.840 -0.155 0.000 0.816 177 L CB 0.146 42.142 42.059 -0.104 0.000 0.933 177 L HN -0.355 7.798 8.230 -0.113 0.009 0.449 178 G N -3.654 105.044 108.800 -0.170 0.000 2.144 178 G HA2 -0.374 nan 3.960 nan 0.000 0.218 178 G HA3 -0.374 nan 3.960 nan 0.000 0.218 178 G C -0.074 174.701 174.900 -0.207 0.000 0.988 178 G CA -0.424 44.569 45.100 -0.178 0.000 0.659 178 G HN -0.207 7.813 8.290 -0.090 0.216 0.522 179 H N -0.087 118.954 119.070 -0.048 0.000 2.790 179 H HA -0.069 nan 4.556 nan 0.000 0.358 179 H C -0.162 175.150 175.328 -0.027 0.000 1.103 179 H CA 1.318 57.343 56.048 -0.039 0.000 1.426 179 H CB 0.826 30.559 29.762 -0.048 0.000 1.424 179 H HN -0.128 8.127 8.280 -0.042 0.000 0.599 180 Q N 1.888 121.744 119.800 0.093 0.000 2.586 180 Q HA 0.162 nan 4.340 nan 0.000 0.243 180 Q C 0.228 176.256 176.000 0.048 0.000 0.846 180 Q CA 1.388 57.221 55.803 0.049 0.000 0.959 180 Q CB 1.025 29.776 28.738 0.022 0.000 1.227 180 Q HN 0.571 8.909 8.270 0.112 0.000 0.611 181 Q N 1.386 121.218 119.800 0.053 0.000 2.553 181 Q HA 0.108 nan 4.340 nan 0.000 0.221 181 Q C -1.603 174.398 176.000 0.003 0.000 1.219 181 Q CA -0.187 55.632 55.803 0.027 0.000 0.955 181 Q CB -0.430 28.322 28.738 0.023 0.000 1.399 181 Q HN 0.000 8.313 8.270 0.071 0.000 0.551 182 I N 3.240 123.800 120.570 -0.016 0.000 2.339 182 I HA 0.387 nan 4.170 nan 0.000 0.290 182 I C -1.717 174.354 176.117 -0.078 0.000 0.994 182 I CA -1.276 59.982 61.300 -0.071 0.000 1.191 182 I CB 1.565 39.517 38.000 -0.080 0.000 1.343 182 I HN -0.442 7.768 8.210 -0.000 0.000 0.458 183 A N 7.326 130.082 122.820 -0.107 0.000 2.269 183 A HA 0.865 nan 4.320 nan 0.000 0.327 183 A C -2.097 175.390 177.584 -0.162 0.000 1.112 183 A CA -2.354 49.626 52.037 -0.095 0.000 0.865 183 A CB 2.547 21.500 19.000 -0.078 0.000 1.227 183 A HN 0.218 8.292 8.150 -0.127 0.000 0.498 184 L N -2.538 118.611 121.223 -0.122 0.000 2.410 184 L HA 0.702 nan 4.340 nan 0.000 0.270 184 L C -1.818 175.025 176.870 -0.045 0.000 0.983 184 L CA -1.051 53.690 54.840 -0.165 0.000 0.822 184 L CB 3.420 45.453 42.059 -0.043 0.000 1.285 184 L HN 0.054 8.146 8.230 -0.064 0.099 0.409 185 L N 4.921 126.123 121.223 -0.036 0.000 2.387 185 L HA 0.587 nan 4.340 nan 0.000 0.259 185 L C -2.356 174.630 176.870 0.193 0.000 1.050 185 L CA -1.929 52.938 54.840 0.045 0.000 0.922 185 L CB 1.534 43.598 42.059 0.009 0.000 1.280 185 L HN 0.765 8.888 8.230 -0.179 0.000 0.449 186 A N 5.997 128.926 122.820 0.181 0.000 2.287 186 A HA 0.352 nan 4.320 nan 0.000 0.273 186 A C -1.057 176.399 177.584 -0.214 0.000 1.091 186 A CA -1.093 50.988 52.037 0.074 0.000 0.817 186 A CB 1.938 20.935 19.000 -0.005 0.000 1.069 186 A HN 0.697 8.916 8.150 0.115 0.000 0.492 187 G N -2.381 106.121 108.800 -0.497 0.000 2.563 187 G HA2 0.240 nan 3.960 nan 0.000 0.283 187 G HA3 0.240 nan 3.960 nan 0.000 0.283 187 G C -2.661 171.786 174.900 -0.755 0.000 1.309 187 G CA -1.957 42.480 45.100 -1.106 0.000 1.022 187 G HN 0.166 8.201 8.290 -0.427 0.000 0.501 188 P HA -0.085 nan 4.420 nan 0.000 0.264 188 P C -0.644 176.500 177.300 -0.259 0.000 1.183 188 P CA 0.380 63.239 63.100 -0.402 0.000 0.763 188 P CB 0.382 31.894 31.700 -0.313 0.000 0.807 189 L N 1.784 122.909 121.223 -0.163 0.000 2.627 189 L HA -0.116 nan 4.340 nan 0.000 0.233 189 L C 0.640 177.466 176.870 -0.072 0.000 1.144 189 L CA 1.309 56.083 54.840 -0.110 0.000 0.892 189 L CB -1.062 40.949 42.059 -0.079 0.000 1.039 189 L HN 0.478 8.619 8.230 -0.148 0.000 0.442 190 S N -3.809 111.852 115.700 -0.065 0.000 2.528 190 S HA -0.105 nan 4.470 nan 0.000 0.219 190 S C 0.008 174.590 174.600 -0.030 0.000 0.985 190 S CA -0.022 58.156 58.200 -0.035 0.000 0.914 190 S CB -0.031 63.156 63.200 -0.021 0.000 0.776 190 S HN -0.163 8.013 8.310 -0.084 0.084 0.526 191 S N 2.214 117.903 115.700 -0.019 0.000 2.452 191 S HA 0.123 nan 4.470 nan 0.000 0.284 191 S C 0.451 175.046 174.600 -0.008 0.000 1.171 191 S CA -1.320 56.899 58.200 0.031 0.000 1.064 191 S CB 0.811 64.141 63.200 0.217 0.000 0.967 191 S HN -0.668 7.437 8.310 -0.048 0.176 0.484 192 V N 6.213 126.109 119.914 -0.029 0.000 2.332 192 V HA -0.368 nan 4.120 nan 0.000 0.248 192 V C 1.512 177.555 176.094 -0.086 0.000 1.055 192 V CA 3.415 65.678 62.300 -0.061 0.000 1.038 192 V CB -0.860 30.925 31.823 -0.063 0.000 0.651 192 V HN 0.817 8.988 8.190 -0.031 0.000 0.450 193 S N 0.390 116.065 115.700 -0.041 0.000 2.383 193 S HA -0.269 nan 4.470 nan 0.000 0.227 193 S C 1.496 176.059 174.600 -0.063 0.000 1.026 193 S CA 3.845 62.010 58.200 -0.058 0.000 0.981 193 S CB -0.516 62.685 63.200 0.002 0.000 0.818 193 S HN 0.000 8.307 8.310 -0.004 0.001 0.472 194 A N 1.627 124.476 122.820 0.049 0.000 1.898 194 A HA -0.228 nan 4.320 nan 0.000 0.216 194 A C 2.136 179.594 177.584 -0.210 0.000 1.181 194 A CA 2.904 54.898 52.037 -0.071 0.000 0.620 194 A CB -0.483 18.432 19.000 -0.141 0.000 0.819 194 A HN -0.699 7.441 8.150 0.128 0.087 0.442 195 R N -1.690 118.719 120.500 -0.151 0.000 2.066 195 R HA -0.304 nan 4.340 nan 0.000 0.232 195 R C 2.467 178.662 176.300 -0.176 0.000 1.131 195 R CA 3.266 59.279 56.100 -0.145 0.000 0.955 195 R CB -0.075 30.169 30.300 -0.094 0.000 0.851 195 R HN 0.120 8.221 8.270 -0.105 0.106 0.432 196 L N -0.928 120.173 121.223 -0.203 0.000 2.013 196 L HA -0.451 nan 4.340 nan 0.000 0.212 196 L C 2.343 179.080 176.870 -0.222 0.000 1.073 196 L CA 3.256 57.954 54.840 -0.237 0.000 0.753 196 L CB -0.637 41.133 42.059 -0.482 0.000 0.890 196 L HN 0.417 8.421 8.230 -0.191 0.112 0.432 197 R N -2.186 118.086 120.500 -0.381 0.000 2.081 197 R HA -0.337 nan 4.340 nan 0.000 0.235 197 R C 2.486 178.176 176.300 -1.016 0.000 1.131 197 R CA 3.408 59.096 56.100 -0.687 0.000 0.960 197 R CB -0.305 29.438 30.300 -0.928 0.000 0.856 197 R HN -0.247 7.807 8.270 -0.360 0.000 0.436 198 L N -0.730 120.030 121.223 -0.773 0.000 2.046 198 L HA -0.304 nan 4.340 nan 0.000 0.208 198 L C 1.785 178.540 176.870 -0.192 0.000 1.077 198 L CA 2.848 57.388 54.840 -0.501 0.000 0.747 198 L CB -0.284 41.642 42.059 -0.222 0.000 0.896 198 L HN -0.362 7.515 8.230 -0.588 0.000 0.432 199 A N -2.065 120.706 122.820 -0.082 0.000 1.930 199 A HA -0.250 nan 4.320 nan 0.000 0.217 199 A C 2.023 179.677 177.584 0.116 0.000 1.175 199 A CA 3.167 55.258 52.037 0.091 0.000 0.627 199 A CB -0.917 18.115 19.000 0.052 0.000 0.815 199 A HN 0.448 8.499 8.150 -0.153 0.007 0.443 200 G N -1.079 107.753 108.800 0.052 0.000 2.421 200 G HA2 -0.258 nan 3.960 nan 0.000 0.216 200 G HA3 -0.258 nan 3.960 nan 0.000 0.216 200 G C 0.912 176.030 174.900 0.363 0.000 1.171 200 G CA 1.803 47.031 45.100 0.214 0.000 0.775 200 G HN 0.092 8.133 8.290 -0.076 0.204 0.543 201 W N 1.478 122.859 121.300 0.135 0.000 2.338 201 W HA -0.308 nan 4.660 nan 0.000 0.304 201 W C 2.457 179.023 176.519 0.078 0.000 1.212 201 W CA 1.873 59.260 57.345 0.070 0.000 1.264 201 W CB -0.856 28.555 29.460 -0.082 0.000 1.142 201 W HN 0.293 8.410 8.180 -0.106 0.000 0.512 202 H N -1.447 117.808 119.070 0.308 0.000 2.387 202 H HA -0.431 nan 4.556 nan 0.000 0.299 202 H C 2.070 177.451 175.328 0.088 0.000 1.090 202 H CA 3.671 59.819 56.048 0.166 0.000 1.332 202 H CB 0.114 29.940 29.762 0.106 0.000 1.386 202 H HN -0.348 7.975 8.280 0.190 0.071 0.516 203 K N 0.685 121.180 120.400 0.158 0.000 1.973 203 K HA -0.386 nan 4.320 nan 0.000 0.212 203 K C 2.165 178.670 176.600 -0.157 0.000 1.047 203 K CA 3.515 59.746 56.287 -0.094 0.000 0.937 203 K CB -0.077 32.238 32.500 -0.309 0.000 0.721 203 K HN 0.021 8.301 8.250 0.199 0.090 0.440 204 Y N -2.502 117.881 120.300 0.138 0.000 2.421 204 Y HA -0.257 nan 4.550 nan 0.000 0.292 204 Y C 2.949 178.919 175.900 0.116 0.000 1.136 204 Y CA 2.893 61.064 58.100 0.119 0.000 1.255 204 Y CB -0.258 38.277 38.460 0.124 0.000 0.991 204 Y HN -0.511 7.855 8.280 0.143 0.000 0.552 205 L N -0.938 120.438 121.223 0.255 0.000 2.023 205 L HA -0.383 nan 4.340 nan 0.000 0.205 205 L C 1.546 178.499 176.870 0.139 0.000 1.073 205 L CA 3.149 58.102 54.840 0.189 0.000 0.745 205 L CB -0.025 42.152 42.059 0.197 0.000 0.900 205 L HN 0.185 8.558 8.230 0.286 0.029 0.435 206 T N -3.932 110.699 114.554 0.128 0.000 2.857 206 T HA -0.244 nan 4.350 nan 0.000 0.266 206 T C 2.806 177.537 174.700 0.053 0.000 1.048 206 T CA 3.302 65.449 62.100 0.079 0.000 1.139 206 T CB -0.614 68.287 68.868 0.055 0.000 0.874 206 T HN -0.356 7.977 8.240 0.155 0.000 0.455 207 R N 0.959 121.486 120.500 0.045 0.000 2.127 207 R HA -0.240 nan 4.340 nan 0.000 0.238 207 R C 1.589 177.925 176.300 0.061 0.000 1.134 207 R CA 2.538 58.656 56.100 0.031 0.000 0.975 207 R CB -0.156 30.149 30.300 0.009 0.000 0.865 207 R HN 0.296 8.594 8.270 0.046 0.000 0.447 208 N N -3.312 115.440 118.700 0.086 0.000 2.295 208 N HA 0.060 nan 4.740 nan 0.000 0.221 208 N C -1.266 174.279 175.510 0.059 0.000 1.129 208 N CA 0.135 53.232 53.050 0.078 0.000 0.836 208 N CB 0.164 38.709 38.487 0.096 0.000 1.040 208 N HN -0.647 7.655 8.380 0.103 0.140 0.494 209 Q N -4.789 115.042 119.800 0.051 0.000 2.284 209 Q HA -0.390 nan 4.340 nan 0.000 0.205 209 Q C -0.685 175.341 176.000 0.043 0.000 0.682 209 Q CA 1.600 57.427 55.803 0.040 0.000 1.401 209 Q CB -1.644 27.112 28.738 0.030 0.000 1.643 209 Q HN 0.187 8.281 8.270 0.051 0.206 0.717 210 I N -0.054 120.549 120.570 0.055 0.000 2.532 210 I HA -0.184 nan 4.170 nan 0.000 0.292 210 I C -1.100 175.056 176.117 0.065 0.000 1.014 210 I CA 0.024 61.356 61.300 0.054 0.000 1.340 210 I CB 0.777 38.811 38.000 0.056 0.000 1.422 210 I HN -0.703 7.452 8.210 0.065 0.093 0.528 211 Q N 4.872 124.705 119.800 0.055 0.000 2.310 211 Q HA 0.308 nan 4.340 nan 0.000 0.270 211 Q C -2.413 173.622 176.000 0.058 0.000 1.025 211 Q CA -3.783 52.059 55.803 0.066 0.000 0.772 211 Q CB 2.566 31.333 28.738 0.048 0.000 1.253 211 Q HN 0.023 8.319 8.270 0.044 0.000 0.450 212 P HA 0.094 nan 4.420 nan 0.000 0.265 212 P C -0.100 177.223 177.300 0.038 0.000 1.222 212 P CA -0.254 62.874 63.100 0.047 0.000 0.767 212 P CB 0.482 32.221 31.700 0.066 0.000 0.801 213 I N -1.178 119.402 120.570 0.017 0.000 2.454 213 I HA -0.080 nan 4.170 nan 0.000 0.254 213 I C -0.494 175.628 176.117 0.009 0.000 1.156 213 I CA 1.210 62.517 61.300 0.011 0.000 1.433 213 I CB 0.315 38.316 38.000 0.002 0.000 1.082 213 I HN -0.130 8.085 8.210 0.008 0.000 0.432 214 A N -1.363 121.460 122.820 0.005 0.000 2.572 214 A HA 0.208 nan 4.320 nan 0.000 0.295 214 A C -2.783 174.806 177.584 0.009 0.000 1.072 214 A CA -0.540 51.498 52.037 0.002 0.000 0.691 214 A CB 2.707 21.698 19.000 -0.016 0.000 1.291 214 A HN -0.574 7.533 8.150 0.001 0.043 0.404 215 E N 0.944 121.157 120.200 0.021 0.000 2.307 215 E HA 0.536 nan 4.350 nan 0.000 0.280 215 E C -1.689 174.926 176.600 0.025 0.000 0.900 215 E CA -0.751 55.672 56.400 0.037 0.000 0.790 215 E CB 2.294 32.049 29.700 0.092 0.000 1.261 215 E HN 0.203 8.574 8.360 0.018 0.000 0.405 216 R N 3.862 124.371 120.500 0.014 0.000 2.836 216 R HA 0.441 nan 4.340 nan 0.000 0.269 216 R C -0.767 175.528 176.300 -0.009 0.000 1.010 216 R CA -0.930 55.169 56.100 -0.003 0.000 0.930 216 R CB 3.577 33.866 30.300 -0.019 0.000 1.218 216 R HN 1.062 9.235 8.270 0.018 0.108 0.473 217 E N 1.745 121.923 120.200 -0.036 0.000 2.241 217 E HA 0.580 4.930 4.350 -0.000 0.000 0.263 217 E C -1.259 175.281 176.600 -0.100 0.000 0.882 217 E CA -0.495 55.856 56.400 -0.081 0.000 0.769 217 E CB 2.303 31.946 29.700 -0.095 0.000 1.185 217 E HN 0.155 nan 8.360 nan 0.000 0.415 218 G N 2.738 111.457 108.800 -0.135 0.000 2.773 218 G HA2 0.333 nan 3.960 nan 0.000 0.186 218 G HA3 0.333 nan 3.960 nan 0.000 0.186 218 G C -1.507 173.268 174.900 -0.209 0.000 1.411 218 G CA -0.104 44.924 45.100 -0.121 0.000 1.054 218 G HN 0.354 8.548 8.290 -0.159 0.000 0.579 219 D N -3.173 117.117 120.400 -0.182 0.000 2.785 219 D HA 0.219 nan 4.640 nan 0.000 0.324 219 D C -0.020 176.234 176.300 -0.077 0.000 1.523 219 D CA -2.086 51.779 54.000 -0.225 0.000 0.789 219 D CB 0.285 41.037 40.800 -0.080 0.000 1.171 219 D HN -0.444 7.868 8.370 -0.095 0.000 0.447 220 W N -4.749 116.548 121.300 -0.005 0.000 1.273 220 W HA -0.451 nan 4.660 nan 0.000 0.240 220 W C -0.804 175.697 176.519 -0.030 0.000 0.987 220 W CA 0.723 58.057 57.345 -0.018 0.000 0.393 220 W CB -1.528 27.911 29.460 -0.035 0.000 1.994 220 W HN -0.718 7.341 8.180 -0.201 0.000 1.170 221 S N -2.536 113.268 115.700 0.173 0.000 2.608 221 S HA 0.351 nan 4.470 nan 0.000 0.291 221 S C 0.576 175.225 174.600 0.081 0.000 1.146 221 S CA -1.757 56.500 58.200 0.095 0.000 1.043 221 S CB 2.632 65.875 63.200 0.072 0.000 1.037 221 S HN -0.718 7.810 8.310 0.129 -0.140 0.520 222 A N 3.426 126.281 122.820 0.058 0.000 1.908 222 A HA -0.250 nan 4.320 nan 0.000 0.218 222 A C 2.209 179.834 177.584 0.068 0.000 1.181 222 A CA 3.256 55.327 52.037 0.055 0.000 0.627 222 A CB -0.586 18.428 19.000 0.022 0.000 0.818 222 A HN 0.881 9.054 8.150 0.038 0.000 0.445 223 M N -2.015 117.610 119.600 0.043 0.000 2.296 223 M HA -0.159 nan 4.480 nan 0.000 0.265 223 M C 1.340 177.723 176.300 0.139 0.000 1.064 223 M CA 1.988 57.316 55.300 0.047 0.000 1.109 223 M CB -0.561 32.036 32.600 -0.005 0.000 1.396 223 M HN 0.112 8.420 8.290 0.031 0.000 0.430 224 S N -0.784 114.976 115.700 0.100 0.000 2.446 224 S HA -0.100 nan 4.470 nan 0.000 0.225 224 S C 2.416 177.064 174.600 0.080 0.000 1.016 224 S CA 3.375 61.623 58.200 0.080 0.000 0.943 224 S CB -0.343 62.876 63.200 0.032 0.000 0.786 224 S HN -0.422 7.903 8.310 0.078 0.032 0.508 225 G N 2.040 110.898 108.800 0.097 0.000 2.402 225 G HA2 -0.253 nan 3.960 nan 0.000 0.216 225 G HA3 -0.253 nan 3.960 nan 0.000 0.216 225 G C 0.469 175.429 174.900 0.100 0.000 1.162 225 G CA 1.893 47.041 45.100 0.081 0.000 0.777 225 G HN -0.479 7.781 8.290 0.103 0.093 0.539 226 F N 2.885 122.829 119.950 -0.009 0.000 2.046 226 F HA -0.416 nan 4.527 nan 0.000 0.297 226 F C 0.754 176.547 175.800 -0.012 0.000 1.123 226 F CA 3.405 61.397 58.000 -0.014 0.000 1.199 226 F CB 0.309 39.301 39.000 -0.015 0.000 0.972 226 F HN -0.175 8.295 8.300 0.284 0.000 0.474 227 Q N -1.382 118.548 119.800 0.217 0.000 2.029 227 Q HA -0.552 nan 4.340 nan 0.000 0.209 227 Q C 2.311 178.266 176.000 -0.075 0.000 0.999 227 Q CA 3.682 59.522 55.803 0.061 0.000 0.857 227 Q CB -0.192 28.623 28.738 0.128 0.000 0.926 227 Q HN -0.168 8.249 8.270 0.427 0.108 0.415 228 Q N -2.248 117.528 119.800 -0.039 0.000 2.096 228 Q HA -0.310 nan 4.340 nan 0.000 0.204 228 Q C 2.839 178.782 176.000 -0.094 0.000 0.982 228 Q CA 2.740 58.509 55.803 -0.056 0.000 0.850 228 Q CB -0.444 28.273 28.738 -0.035 0.000 0.901 228 Q HN -0.172 8.098 8.270 0.002 0.000 0.422 229 T N 3.980 118.461 114.554 -0.122 0.000 2.777 229 T HA -0.255 nan 4.350 nan 0.000 0.266 229 T C 2.218 176.792 174.700 -0.210 0.000 1.040 229 T CA 4.770 66.782 62.100 -0.147 0.000 1.141 229 T CB -0.488 68.298 68.868 -0.137 0.000 0.868 229 T HN 0.111 8.289 8.240 -0.105 0.000 0.444 230 M N 1.184 120.570 119.600 -0.356 0.000 2.159 230 M HA -0.358 nan 4.480 nan 0.000 0.263 230 M C 2.057 178.238 176.300 -0.198 0.000 1.063 230 M CA 2.038 57.118 55.300 -0.367 0.000 1.110 230 M CB -1.523 30.720 32.600 -0.596 0.000 1.374 230 M HN 0.474 8.496 8.290 -0.446 0.000 0.411 231 Q N -0.798 118.909 119.800 -0.154 0.000 2.020 231 Q HA -0.372 nan 4.340 nan 0.000 0.202 231 Q C 2.443 178.398 176.000 -0.075 0.000 0.982 231 Q CA 3.109 58.857 55.803 -0.090 0.000 0.838 231 Q CB -0.016 28.683 28.738 -0.065 0.000 0.899 231 Q HN -0.134 7.946 8.270 -0.172 0.086 0.423 232 M N 0.614 120.167 119.600 -0.078 0.000 2.115 232 M HA -0.466 nan 4.480 nan 0.000 0.258 232 M C 2.072 178.335 176.300 -0.060 0.000 1.071 232 M CA 3.954 59.218 55.300 -0.061 0.000 1.100 232 M CB 0.119 32.682 32.600 -0.062 0.000 1.292 232 M HN -0.174 8.063 8.290 -0.090 0.000 0.415 233 L N -3.269 117.909 121.223 -0.076 0.000 2.013 233 L HA -0.532 nan 4.340 nan 0.000 0.212 233 L C 2.589 179.425 176.870 -0.057 0.000 1.073 233 L CA 2.976 57.776 54.840 -0.066 0.000 0.753 233 L CB -0.782 41.228 42.059 -0.082 0.000 0.890 233 L HN 0.018 8.191 8.230 -0.094 0.000 0.432 234 N N -0.856 117.805 118.700 -0.067 0.000 2.272 234 N HA -0.311 nan 4.740 nan 0.000 0.185 234 N C 1.434 176.922 175.510 -0.037 0.000 1.014 234 N CA 2.487 55.507 53.050 -0.052 0.000 0.870 234 N CB -0.163 38.289 38.487 -0.058 0.000 0.975 234 N HN -0.014 8.205 8.380 -0.086 0.109 0.433 235 E N -2.305 117.873 120.200 -0.036 0.000 2.502 235 E HA -0.051 nan 4.350 nan 0.000 0.194 235 E C 0.418 177.005 176.600 -0.022 0.000 1.062 235 E CA 0.080 56.465 56.400 -0.026 0.000 0.867 235 E CB 0.342 30.027 29.700 -0.025 0.000 0.888 235 E HN -0.381 7.811 8.360 -0.044 0.141 0.510 236 G N -2.036 106.749 108.800 -0.025 0.000 2.254 236 G HA2 -0.409 nan 3.960 nan 0.000 0.225 236 G HA3 -0.409 nan 3.960 nan 0.000 0.225 236 G C -0.461 174.427 174.900 -0.020 0.000 1.003 236 G CA 0.075 45.163 45.100 -0.020 0.000 0.622 236 G HN -0.081 7.995 8.290 -0.031 0.196 0.507 237 I N 3.588 124.145 120.570 -0.023 0.000 2.517 237 I HA -0.231 nan 4.170 nan 0.000 0.285 237 I C -1.333 174.768 176.117 -0.027 0.000 1.106 237 I CA 1.098 62.386 61.300 -0.021 0.000 1.402 237 I CB 0.151 38.138 38.000 -0.023 0.000 1.399 237 I HN -0.684 7.431 8.210 -0.025 0.080 0.535 238 V N 7.690 127.591 119.914 -0.022 0.000 2.538 238 V HA 0.407 nan 4.120 nan 0.000 0.265 238 V C -1.729 174.355 176.094 -0.017 0.000 0.977 238 V CA -3.643 58.642 62.300 -0.023 0.000 0.852 238 V CB 1.177 32.987 31.823 -0.021 0.000 1.058 238 V HN 0.125 8.306 8.190 -0.016 0.000 0.462 239 P HA 0.328 nan 4.420 nan 0.000 0.291 239 P C -1.064 176.233 177.300 -0.005 0.000 1.287 239 P CA -0.009 63.080 63.100 -0.019 0.000 0.767 239 P CB 1.253 32.927 31.700 -0.044 0.000 1.290 240 T N -9.047 105.511 114.554 0.007 0.000 3.130 240 T HA 0.229 nan 4.350 nan 0.000 0.288 240 T C -1.053 173.601 174.700 -0.076 0.000 0.936 240 T CA -0.251 61.884 62.100 0.058 0.000 0.897 240 T CB 1.326 70.307 68.868 0.189 0.000 1.178 240 T HN 0.374 8.611 8.240 -0.006 0.000 0.543 241 A N 1.018 123.715 122.820 -0.205 0.000 2.594 241 A HA 0.665 nan 4.320 nan 0.000 0.296 241 A C -3.184 174.257 177.584 -0.237 0.000 1.061 241 A CA 0.518 52.313 52.037 -0.404 0.000 0.689 241 A CB 2.691 21.245 19.000 -0.743 0.000 1.280 241 A HN -0.546 7.530 8.150 -0.123 0.000 0.406 242 M N -0.414 119.053 119.600 -0.223 0.000 2.433 242 M HA 0.599 nan 4.480 nan 0.000 0.290 242 M C -2.014 174.139 176.300 -0.244 0.000 1.173 242 M CA -0.517 54.662 55.300 -0.201 0.000 0.905 242 M CB 5.050 37.569 32.600 -0.135 0.000 1.692 242 M HN 0.139 8.293 8.290 -0.227 0.000 0.462 243 L N 2.081 123.075 121.223 -0.380 0.000 2.305 243 L HA 0.728 nan 4.340 nan 0.000 0.284 243 L C -1.872 174.694 176.870 -0.507 0.000 1.013 243 L CA -0.865 53.630 54.840 -0.575 0.000 0.819 243 L CB 1.618 42.967 42.059 -1.183 0.000 1.227 243 L HN -0.020 7.974 8.230 -0.394 0.000 0.417 244 V N 3.370 123.203 119.914 -0.135 0.000 2.540 244 V HA 0.399 nan 4.120 nan 0.000 0.302 244 V C -0.533 175.827 176.094 0.444 0.000 1.035 244 V CA -2.048 60.325 62.300 0.123 0.000 0.873 244 V CB 1.474 33.364 31.823 0.112 0.000 0.992 244 V HN 0.402 8.568 8.190 -0.040 0.000 0.428 245 A N 5.169 128.317 122.820 0.546 0.000 2.032 245 A HA -0.303 nan 4.320 nan 0.000 0.221 245 A C -1.326 176.548 177.584 0.484 0.000 1.165 245 A CA 2.789 55.084 52.037 0.430 0.000 0.645 245 A CB 0.717 19.801 19.000 0.140 0.000 0.807 245 A HN 0.935 9.353 8.150 0.447 0.000 0.453 246 N N -7.313 111.678 118.700 0.485 0.000 3.020 246 N HA 0.079 nan 4.740 nan 0.000 0.248 246 N C -0.142 175.562 175.510 0.324 0.000 1.480 246 N CA -1.083 52.224 53.050 0.429 0.000 0.874 246 N CB 1.815 40.546 38.487 0.407 0.000 1.433 246 N HN -0.882 7.707 8.380 0.403 0.032 0.530 247 D N 0.193 120.752 120.400 0.265 0.000 2.149 247 D HA -0.223 nan 4.640 nan 0.000 0.201 247 D C 1.822 178.309 176.300 0.312 0.000 0.972 247 D CA 3.478 57.637 54.000 0.265 0.000 0.835 247 D CB -0.179 40.737 40.800 0.192 0.000 0.966 247 D HN 0.190 8.706 8.370 0.243 0.000 0.476 248 Q N 0.030 119.967 119.800 0.229 0.000 2.061 248 Q HA -0.321 nan 4.340 nan 0.000 0.204 248 Q C 2.631 178.722 176.000 0.152 0.000 0.984 248 Q CA 3.511 59.413 55.803 0.165 0.000 0.846 248 Q CB -0.233 28.510 28.738 0.009 0.000 0.902 248 Q HN 0.003 8.416 8.270 0.183 -0.033 0.421 249 M N -1.455 118.250 119.600 0.175 0.000 2.086 249 M HA -0.411 nan 4.480 nan 0.000 0.261 249 M C 1.860 178.237 176.300 0.128 0.000 1.067 249 M CA 3.613 58.998 55.300 0.142 0.000 1.116 249 M CB -0.185 32.502 32.600 0.145 0.000 1.348 249 M HN 0.078 8.850 8.290 0.218 -0.352 0.407 250 A N 0.009 122.928 122.820 0.165 0.000 1.927 250 A HA -0.342 nan 4.320 nan 0.000 0.220 250 A C 1.956 179.605 177.584 0.109 0.000 1.185 250 A CA 3.039 55.165 52.037 0.148 0.000 0.639 250 A CB -0.976 18.144 19.000 0.201 0.000 0.820 250 A HN -0.447 7.761 8.150 0.205 0.065 0.451 251 L N -1.962 119.313 121.223 0.087 0.000 1.989 251 L HA -0.284 nan 4.340 nan 0.000 0.211 251 L C 1.828 178.671 176.870 -0.045 0.000 1.071 251 L CA 2.933 57.693 54.840 -0.135 0.000 0.749 251 L CB -1.110 40.725 42.059 -0.373 0.000 0.890 251 L HN 0.370 8.594 8.230 0.167 0.105 0.431 252 G N -3.207 105.613 108.800 0.034 0.000 2.422 252 G HA2 -0.391 nan 3.960 nan 0.000 0.218 252 G HA3 -0.391 nan 3.960 nan 0.000 0.218 252 G C 0.821 175.810 174.900 0.149 0.000 1.146 252 G CA 1.928 47.104 45.100 0.127 0.000 0.769 252 G HN -0.681 7.562 8.290 0.047 0.075 0.547 253 A N 2.218 125.085 122.820 0.077 0.000 1.902 253 A HA -0.226 nan 4.320 nan 0.000 0.217 253 A C 2.092 179.691 177.584 0.024 0.000 1.181 253 A CA 3.049 55.103 52.037 0.030 0.000 0.623 253 A CB -0.627 18.383 19.000 0.016 0.000 0.818 253 A HN 0.348 8.452 8.150 0.074 0.091 0.443 254 M N -2.451 117.168 119.600 0.032 0.000 2.296 254 M HA -0.364 nan 4.480 nan 0.000 0.265 254 M C 2.410 178.731 176.300 0.036 0.000 1.064 254 M CA 3.585 58.899 55.300 0.023 0.000 1.109 254 M CB -0.197 32.411 32.600 0.013 0.000 1.396 254 M HN 0.011 8.245 8.290 0.035 0.076 0.430 255 R N 0.204 120.749 120.500 0.075 0.000 2.062 255 R HA -0.212 nan 4.340 nan 0.000 0.229 255 R C 1.773 178.188 176.300 0.191 0.000 1.128 255 R CA 2.517 58.698 56.100 0.135 0.000 0.960 255 R CB -0.651 29.762 30.300 0.189 0.000 0.855 255 R HN -0.029 8.151 8.270 0.078 0.137 0.432 256 A N -0.174 122.742 122.820 0.160 0.000 1.877 256 A HA -0.241 nan 4.320 nan 0.000 0.216 256 A C 2.319 179.874 177.584 -0.048 0.000 1.186 256 A CA 3.036 55.023 52.037 -0.083 0.000 0.620 256 A CB -0.916 17.898 19.000 -0.309 0.000 0.822 256 A HN -0.202 8.058 8.150 0.183 0.000 0.443 257 I N -3.381 117.175 120.570 -0.024 0.000 2.208 257 I HA -0.602 nan 4.170 nan 0.000 0.245 257 I C 1.287 177.404 176.117 0.001 0.000 1.097 257 I CA 4.187 65.475 61.300 -0.019 0.000 1.363 257 I CB -0.107 37.886 38.000 -0.012 0.000 1.051 257 I HN 0.093 8.296 8.210 -0.011 0.000 0.413 258 T N -3.929 110.638 114.554 0.022 0.000 2.904 258 T HA -0.235 nan 4.350 nan 0.000 0.267 258 T C 2.412 177.133 174.700 0.034 0.000 1.059 258 T CA 3.303 65.420 62.100 0.027 0.000 1.137 258 T CB -0.486 68.402 68.868 0.033 0.000 0.879 258 T HN -0.673 7.507 8.240 0.032 0.079 0.467 259 E N 3.460 123.693 120.200 0.056 0.000 2.267 259 E HA -0.191 nan 4.350 nan 0.000 0.197 259 E C 1.129 177.746 176.600 0.028 0.000 0.998 259 E CA 1.889 58.333 56.400 0.073 0.000 0.830 259 E CB -0.314 29.472 29.700 0.142 0.000 0.751 259 E HN 0.230 8.449 8.360 0.069 0.183 0.491 260 S N -2.670 113.031 115.700 0.002 0.000 2.526 260 S HA 0.181 nan 4.470 nan 0.000 0.245 260 S C -0.261 174.337 174.600 -0.004 0.000 1.103 260 S CA -1.006 57.188 58.200 -0.010 0.000 1.095 260 S CB -0.103 63.077 63.200 -0.034 0.000 0.826 260 S HN -0.589 7.563 8.310 -0.000 0.158 0.468 261 G N 1.514 110.317 108.800 0.005 0.000 2.382 261 G HA2 -0.332 nan 3.960 nan 0.000 0.259 261 G HA3 -0.332 nan 3.960 nan 0.000 0.259 261 G C -0.056 174.846 174.900 0.004 0.000 1.009 261 G CA 1.192 46.295 45.100 0.005 0.000 0.625 261 G HN -0.489 7.745 8.290 0.011 0.062 0.541 262 L N -0.196 121.027 121.223 0.001 0.000 2.474 262 L HA -0.013 nan 4.340 nan 0.000 0.259 262 L C -0.473 176.401 176.870 0.007 0.000 1.232 262 L CA -0.141 54.700 54.840 0.002 0.000 0.821 262 L CB 0.379 42.435 42.059 -0.005 0.000 1.108 262 L HN -0.721 7.381 8.230 -0.003 0.126 0.495 263 R N -1.454 119.052 120.500 0.009 0.000 2.670 263 R HA 0.265 nan 4.340 nan 0.000 0.289 263 R C -1.605 174.705 176.300 0.016 0.000 0.965 263 R CA -1.148 54.961 56.100 0.014 0.000 0.899 263 R CB 2.559 32.868 30.300 0.016 0.000 1.173 263 R HN -0.384 8.046 8.270 0.009 -0.155 0.456 264 V N 2.072 121.998 119.914 0.020 0.000 2.488 264 V HA 0.119 nan 4.120 nan 0.000 0.277 264 V C 1.146 177.258 176.094 0.030 0.000 1.046 264 V CA 0.864 63.177 62.300 0.022 0.000 0.986 264 V CB -0.841 30.999 31.823 0.028 0.000 0.989 264 V HN 0.528 8.731 8.190 0.022 0.000 0.475 265 G N 7.715 116.533 108.800 0.031 0.000 5.005 265 G HA2 -0.402 nan 3.960 nan 0.000 0.251 265 G HA3 -0.402 nan 3.960 nan 0.000 0.251 265 G C -0.188 174.745 174.900 0.056 0.000 1.536 265 G CA 1.047 46.175 45.100 0.046 0.000 1.060 265 G HN 0.352 8.529 8.290 0.019 0.124 0.683 266 A N 4.398 127.244 122.820 0.042 0.000 1.859 266 A HA -0.290 nan 4.320 nan 0.000 0.217 266 A C 0.915 178.524 177.584 0.041 0.000 1.198 266 A CA 3.067 55.126 52.037 0.037 0.000 0.629 266 A CB -0.335 18.680 19.000 0.025 0.000 0.830 266 A HN -0.236 7.893 8.150 0.036 0.043 0.446 267 D N -2.571 117.849 120.400 0.033 0.000 2.297 267 D HA 0.053 nan 4.640 nan 0.000 0.233 267 D C 0.818 177.140 176.300 0.037 0.000 1.056 267 D CA 1.857 55.874 54.000 0.029 0.000 0.938 267 D CB 1.137 41.946 40.800 0.016 0.000 1.048 267 D HN -0.627 7.662 8.370 0.028 0.097 0.442 268 I N 1.160 121.739 120.570 0.016 0.000 2.306 268 I HA 0.044 nan 4.170 nan 0.000 0.288 268 I C -0.570 175.532 176.117 -0.024 0.000 1.036 268 I CA -1.049 60.246 61.300 -0.008 0.000 1.221 268 I CB -0.052 37.935 38.000 -0.022 0.000 1.385 268 I HN 0.086 8.303 8.210 0.011 0.000 0.472 269 S N 8.353 124.017 115.700 -0.060 0.000 2.576 269 S HA 0.316 nan 4.470 nan 0.000 0.276 269 S C -1.382 173.155 174.600 -0.104 0.000 1.339 269 S CA 1.105 59.255 58.200 -0.083 0.000 1.039 269 S CB 0.639 63.738 63.200 -0.168 0.000 0.902 269 S HN 0.027 8.190 8.310 -0.068 0.105 0.516 270 V N 3.325 123.212 119.914 -0.044 0.000 2.686 270 V HA 0.483 nan 4.120 nan 0.000 0.306 270 V C -1.889 174.204 176.094 -0.002 0.000 1.065 270 V CA -0.426 61.855 62.300 -0.032 0.000 0.894 270 V CB 3.132 34.958 31.823 0.004 0.000 1.004 270 V HN 0.816 8.891 8.190 -0.010 0.108 0.424 271 V N 5.777 125.680 119.914 -0.019 0.000 2.540 271 V HA 0.729 nan 4.120 nan 0.000 0.302 271 V C -1.207 174.915 176.094 0.047 0.000 1.035 271 V CA -1.803 60.497 62.300 -0.001 0.000 0.873 271 V CB 3.088 34.899 31.823 -0.020 0.000 0.992 271 V HN 0.305 8.461 8.190 -0.058 0.000 0.428 272 G N 5.192 114.042 108.800 0.083 0.000 2.938 272 G HA2 0.834 nan 3.960 nan 0.000 0.258 272 G HA3 0.834 nan 3.960 nan 0.000 0.258 272 G C -2.893 172.144 174.900 0.229 0.000 1.356 272 G CA -1.977 43.228 45.100 0.175 0.000 1.052 272 G HN 0.592 8.907 8.290 0.042 0.000 0.550 273 Y N -2.165 118.210 120.300 0.126 0.000 2.504 273 Y HA 0.279 nan 4.550 nan 0.000 0.344 273 Y C -2.034 173.902 175.900 0.059 0.000 1.023 273 Y CA -0.224 57.936 58.100 0.101 0.000 1.020 273 Y CB 3.526 42.099 38.460 0.188 0.000 1.282 273 Y HN -0.272 8.266 8.280 0.339 -0.054 0.454 274 D N 2.472 122.894 120.400 0.037 0.000 1.959 274 D HA -0.308 nan 4.640 nan 0.000 0.238 274 D C -0.485 175.760 176.300 -0.092 0.000 1.038 274 D CA 1.904 55.920 54.000 0.026 0.000 1.454 274 D CB 0.059 41.014 40.800 0.259 0.000 1.425 274 D HN 1.001 9.222 8.370 -0.248 0.000 0.702 275 D N 0.639 121.005 120.400 -0.057 0.000 2.746 275 D HA -0.387 nan 4.640 nan 0.000 0.241 275 D C -1.148 175.145 176.300 -0.012 0.000 1.140 275 D CA 1.117 55.066 54.000 -0.084 0.000 0.707 275 D CB -0.473 40.237 40.800 -0.149 0.000 1.034 275 D HN -0.203 8.223 8.370 -0.019 -0.067 0.423 276 T N -5.460 109.132 114.554 0.063 0.000 2.913 276 T HA 0.082 nan 4.350 nan 0.000 0.297 276 T C 1.487 176.202 174.700 0.025 0.000 1.029 276 T CA -1.222 60.958 62.100 0.132 0.000 1.104 276 T CB 1.048 70.031 68.868 0.192 0.000 0.964 276 T HN -0.742 7.710 8.240 0.054 -0.179 0.532 277 E N 3.949 124.172 120.200 0.039 0.000 2.332 277 E HA -0.562 nan 4.350 nan 0.000 0.243 277 E C 1.408 177.967 176.600 -0.069 0.000 1.088 277 E CA 4.183 60.575 56.400 -0.012 0.000 1.048 277 E CB -0.175 29.519 29.700 -0.010 0.000 0.911 277 E HN 0.259 8.858 8.360 0.089 -0.186 0.487 278 D N -2.092 118.265 120.400 -0.073 0.000 2.310 278 D HA -0.117 nan 4.640 nan 0.000 0.212 278 D C 2.440 178.464 176.300 -0.460 0.000 0.965 278 D CA 2.263 56.191 54.000 -0.119 0.000 0.879 278 D CB -0.777 40.068 40.800 0.075 0.000 0.921 278 D HN 0.200 8.558 8.370 -0.019 0.000 0.510 279 S N -0.078 115.251 115.700 -0.618 0.000 2.387 279 S HA -0.301 nan 4.470 nan 0.000 0.230 279 S C 1.473 175.798 174.600 -0.458 0.000 1.035 279 S CA 3.833 61.514 58.200 -0.865 0.000 1.014 279 S CB -0.247 62.688 63.200 -0.441 0.000 0.836 279 S HN 0.368 8.307 8.310 -0.361 0.154 0.466 280 S N -1.076 114.481 115.700 -0.238 0.000 2.660 280 S HA 0.001 nan 4.470 nan 0.000 0.223 280 S C 0.581 175.146 174.600 -0.059 0.000 0.963 280 S CA 2.083 60.214 58.200 -0.116 0.000 0.932 280 S CB -0.397 62.757 63.200 -0.076 0.000 0.775 280 S HN -0.308 7.859 8.310 -0.214 0.015 0.531 281 C N -0.752 118.512 119.300 -0.059 0.000 3.336 281 C HA 0.277 nan 4.460 nan 0.000 0.291 281 C C -0.363 174.749 174.990 0.204 0.000 1.363 281 C CA -0.252 58.802 59.018 0.060 0.000 1.737 281 C CB 0.436 28.215 27.740 0.066 0.000 2.274 281 C HN 0.169 8.092 8.230 -0.178 0.200 0.663 282 Y N 0.856 121.173 120.300 0.029 0.000 2.511 282 Y HA -0.133 nan 4.550 nan 0.000 0.347 282 Y C -0.693 175.223 175.900 0.026 0.000 1.257 282 Y CA -0.068 58.052 58.100 0.033 0.000 1.469 282 Y CB 0.472 38.956 38.460 0.040 0.000 1.353 282 Y HN -0.863 7.349 8.280 0.070 0.109 0.617 283 I N 2.370 123.042 120.570 0.169 0.000 2.390 283 I HA 0.278 nan 4.170 nan 0.000 0.283 283 I C -1.625 174.537 176.117 0.075 0.000 1.016 283 I CA -2.897 58.461 61.300 0.097 0.000 1.151 283 I CB 1.165 39.201 38.000 0.061 0.000 1.293 283 I HN 0.150 8.432 8.210 0.121 0.000 0.458 284 P HA 0.390 nan 4.420 nan 0.000 0.276 284 P C -2.579 174.790 177.300 0.114 0.000 1.244 284 P CA -1.826 61.323 63.100 0.082 0.000 0.801 284 P CB -0.328 31.409 31.700 0.062 0.000 1.006 285 P HA -0.127 nan 4.420 nan 0.000 0.264 285 P C -1.681 175.660 177.300 0.067 0.000 1.179 285 P CA 0.365 63.505 63.100 0.067 0.000 0.763 285 P CB 0.283 32.001 31.700 0.029 0.000 0.806 286 L N 4.890 126.141 121.223 0.046 0.000 2.292 286 L HA 0.378 nan 4.340 nan 0.000 0.284 286 L C -0.696 176.170 176.870 -0.007 0.000 1.065 286 L CA -0.920 53.951 54.840 0.052 0.000 0.806 286 L CB 1.856 43.971 42.059 0.093 0.000 1.175 286 L HN -0.140 8.085 8.230 -0.008 0.000 0.431 287 T N 10.651 125.202 114.554 -0.004 0.000 2.869 287 T HA 0.319 nan 4.350 nan 0.000 0.295 287 T C -1.725 172.930 174.700 -0.075 0.000 0.987 287 T CA 0.894 62.957 62.100 -0.062 0.000 1.109 287 T CB 0.526 69.354 68.868 -0.067 0.000 0.932 287 T HN 0.615 8.870 8.240 0.025 0.000 0.518 288 T N 6.408 120.887 114.554 -0.125 0.000 2.893 288 T HA 0.472 nan 4.350 nan 0.000 0.337 288 T C -1.845 172.725 174.700 -0.217 0.000 1.587 288 T CA -0.229 61.795 62.100 -0.127 0.000 1.066 288 T CB 2.641 71.459 68.868 -0.083 0.000 1.414 288 T HN 0.446 8.596 8.240 -0.151 0.000 0.488 289 I N 4.590 124.969 120.570 -0.318 0.000 2.379 289 I HA 0.271 nan 4.170 nan 0.000 0.290 289 I C -1.378 174.458 176.117 -0.468 0.000 1.063 289 I CA -1.552 59.465 61.300 -0.471 0.000 1.351 289 I CB -0.885 36.604 38.000 -0.853 0.000 1.410 289 I HN 0.186 8.223 8.210 -0.290 0.000 0.505 290 K N 8.606 128.784 120.400 -0.371 0.000 2.312 290 K HA 0.071 nan 4.320 nan 0.000 0.287 290 K C -1.275 175.002 176.600 -0.538 0.000 1.062 290 K CA -0.815 55.243 56.287 -0.381 0.000 0.934 290 K CB 0.598 32.937 32.500 -0.269 0.000 1.027 290 K HN 0.365 8.325 8.250 -0.316 0.101 0.478 291 Q N 6.871 126.181 119.800 -0.817 0.000 2.314 291 Q HA 0.047 nan 4.340 nan 0.000 0.259 291 Q C -1.490 173.754 176.000 -1.260 0.000 0.951 291 Q CA -1.184 53.745 55.803 -1.456 0.000 0.909 291 Q CB 1.912 29.558 28.738 -1.819 0.000 1.236 291 Q HN -0.238 7.478 8.270 -0.750 0.103 0.444 292 D N 4.450 124.537 120.400 -0.522 0.000 2.402 292 D HA -0.007 nan 4.640 nan 0.000 0.235 292 D C 0.092 176.465 176.300 0.123 0.000 1.226 292 D CA -0.929 52.981 54.000 -0.149 0.000 0.918 292 D CB -0.268 40.554 40.800 0.037 0.000 1.043 292 D HN 0.441 8.665 8.370 -0.242 0.000 0.506 293 F N 4.333 124.401 119.950 0.197 0.000 2.699 293 F HA -0.174 nan 4.527 nan 0.000 0.298 293 F C 1.508 177.374 175.800 0.109 0.000 1.154 293 F CA 1.395 59.508 58.000 0.188 0.000 1.457 293 F CB -0.508 38.554 39.000 0.104 0.000 1.106 293 F HN -0.214 7.882 8.300 -0.341 0.000 0.585 294 R N -0.185 120.443 120.500 0.213 0.000 2.080 294 R HA -0.149 nan 4.340 nan 0.000 0.222 294 R C 1.721 178.082 176.300 0.100 0.000 1.107 294 R CA 3.101 59.278 56.100 0.128 0.000 0.980 294 R CB 0.157 30.505 30.300 0.080 0.000 0.879 294 R HN 0.039 8.615 8.270 0.167 -0.206 0.439 295 L N 1.009 122.290 121.223 0.097 0.000 2.083 295 L HA -0.213 nan 4.340 nan 0.000 0.209 295 L C 1.601 178.491 176.870 0.033 0.000 1.083 295 L CA 3.127 58.000 54.840 0.056 0.000 0.752 295 L CB -0.502 41.593 42.059 0.059 0.000 0.899 295 L HN -0.266 8.346 8.230 0.109 -0.316 0.433 296 L N -2.221 119.056 121.223 0.090 0.000 2.141 296 L HA -0.147 nan 4.340 nan 0.000 0.209 296 L C 1.786 178.689 176.870 0.055 0.000 1.094 296 L CA 3.411 58.273 54.840 0.037 0.000 0.763 296 L CB -1.036 41.147 42.059 0.207 0.000 0.908 296 L HN 0.049 8.313 8.230 0.195 0.083 0.437 297 G N -3.102 105.751 108.800 0.088 0.000 2.396 297 G HA2 -0.286 nan 3.960 nan 0.000 0.214 297 G HA3 -0.286 nan 3.960 nan 0.000 0.214 297 G C 1.106 176.021 174.900 0.025 0.000 1.166 297 G CA 1.695 46.827 45.100 0.054 0.000 0.793 297 G HN -0.766 7.487 8.290 0.126 0.112 0.533 298 Q N 1.319 121.134 119.800 0.025 0.000 2.123 298 Q HA -0.186 nan 4.340 nan 0.000 0.199 298 Q C 2.500 178.500 176.000 -0.001 0.000 0.966 298 Q CA 2.626 58.436 55.803 0.011 0.000 0.845 298 Q CB -0.585 28.161 28.738 0.012 0.000 0.907 298 Q HN 0.158 8.450 8.270 0.038 0.000 0.439 299 T N -2.817 111.731 114.554 -0.009 0.000 2.867 299 T HA -0.216 nan 4.350 nan 0.000 0.268 299 T C 2.193 176.880 174.700 -0.023 0.000 1.057 299 T CA 3.822 65.909 62.100 -0.023 0.000 1.136 299 T CB -0.949 67.891 68.868 -0.046 0.000 0.874 299 T HN 0.236 8.473 8.240 -0.006 0.000 0.466 300 S N 2.343 118.031 115.700 -0.020 0.000 2.377 300 S HA -0.214 nan 4.470 nan 0.000 0.223 300 S C 1.786 176.376 174.600 -0.015 0.000 1.030 300 S CA 3.226 61.415 58.200 -0.018 0.000 0.970 300 S CB 0.118 63.308 63.200 -0.016 0.000 0.830 300 S HN -0.610 7.680 8.310 -0.015 0.011 0.473 301 V N 3.784 123.692 119.914 -0.011 0.000 2.307 301 V HA -0.405 nan 4.120 nan 0.000 0.245 301 V C 1.715 177.803 176.094 -0.010 0.000 1.045 301 V CA 4.643 66.936 62.300 -0.012 0.000 1.024 301 V CB -0.754 31.064 31.823 -0.007 0.000 0.651 301 V HN -0.058 8.128 8.190 -0.007 0.000 0.449 302 D N -0.977 119.418 120.400 -0.008 0.000 2.106 302 D HA -0.333 nan 4.640 nan 0.000 0.191 302 D C 2.243 178.538 176.300 -0.008 0.000 0.997 302 D CA 4.025 58.021 54.000 -0.007 0.000 0.834 302 D CB -0.459 40.337 40.800 -0.006 0.000 0.956 302 D HN -0.097 8.269 8.370 -0.007 0.000 0.448 303 R N -0.161 120.333 120.500 -0.009 0.000 2.105 303 R HA -0.272 nan 4.340 nan 0.000 0.239 303 R C 2.442 178.738 176.300 -0.006 0.000 1.135 303 R CA 2.952 59.048 56.100 -0.007 0.000 0.967 303 R CB -0.056 30.239 30.300 -0.007 0.000 0.861 303 R HN -0.482 7.781 8.270 -0.011 0.000 0.442 304 L N 0.034 121.250 121.223 -0.011 0.000 2.056 304 L HA -0.222 nan 4.340 nan 0.000 0.207 304 L C 1.895 178.758 176.870 -0.011 0.000 1.078 304 L CA 3.120 57.952 54.840 -0.014 0.000 0.749 304 L CB -0.616 41.429 42.059 -0.024 0.000 0.901 304 L HN -0.093 8.028 8.230 -0.013 0.101 0.433 305 L N -2.297 118.920 121.223 -0.010 0.000 2.093 305 L HA -0.522 nan 4.340 nan 0.000 0.208 305 L C 2.252 179.118 176.870 -0.005 0.000 1.085 305 L CA 3.262 58.097 54.840 -0.009 0.000 0.755 305 L CB -0.761 41.293 42.059 -0.008 0.000 0.904 305 L HN -0.029 8.195 8.230 -0.011 0.000 0.435 306 Q N -0.929 118.869 119.800 -0.004 0.000 2.020 306 Q HA -0.359 nan 4.340 nan 0.000 0.202 306 Q C 2.677 178.678 176.000 0.000 0.000 0.982 306 Q CA 3.042 58.844 55.803 -0.002 0.000 0.838 306 Q CB -0.021 28.716 28.738 -0.001 0.000 0.899 306 Q HN -0.102 8.159 8.270 -0.005 0.006 0.423 307 L N -1.156 120.067 121.223 0.001 0.000 2.081 307 L HA -0.350 nan 4.340 nan 0.000 0.212 307 L C 2.443 179.315 176.870 0.004 0.000 1.080 307 L CA 2.794 57.637 54.840 0.005 0.000 0.754 307 L CB -0.450 41.614 42.059 0.007 0.000 0.893 307 L HN 0.370 8.482 8.230 -0.000 0.118 0.433 308 S N -0.571 115.128 115.700 -0.001 0.000 2.348 308 S HA -0.293 nan 4.470 nan 0.000 0.221 308 S C 1.653 176.253 174.600 -0.000 0.000 1.033 308 S CA 2.735 60.934 58.200 -0.002 0.000 1.010 308 S CB -0.101 63.095 63.200 -0.006 0.000 0.891 308 S HN 0.063 8.162 8.310 -0.003 0.209 0.442 309 Q N -1.393 118.407 119.800 -0.001 0.000 2.449 309 Q HA -0.227 nan 4.340 nan 0.000 0.214 309 Q C 0.585 176.586 176.000 0.002 0.000 0.986 309 Q CA 1.015 56.818 55.803 0.000 0.000 0.893 309 Q CB 0.373 29.111 28.738 -0.000 0.000 0.940 309 Q HN -0.253 7.943 8.270 -0.001 0.073 0.477 310 G N -3.183 105.619 108.800 0.003 0.000 2.175 310 G HA2 -0.426 nan 3.960 nan 0.000 0.244 310 G HA3 -0.426 nan 3.960 nan 0.000 0.244 310 G C -0.489 174.414 174.900 0.005 0.000 0.982 310 G CA -0.287 44.816 45.100 0.005 0.000 0.641 310 G HN -0.447 7.648 8.290 0.003 0.198 0.527 311 Q N 1.884 121.687 119.800 0.004 0.000 2.293 311 Q HA -0.035 nan 4.340 nan 0.000 0.263 311 Q C -0.426 175.577 176.000 0.006 0.000 1.002 311 Q CA -0.622 55.183 55.803 0.004 0.000 0.910 311 Q CB -0.035 28.705 28.738 0.003 0.000 1.185 311 Q HN -0.734 7.475 8.270 0.003 0.063 0.401 312 A N 5.060 127.884 122.820 0.006 0.000 2.547 312 A HA -0.134 nan 4.320 nan 0.000 0.233 312 A C -0.405 177.184 177.584 0.008 0.000 1.067 312 A CA 0.809 52.851 52.037 0.008 0.000 0.763 312 A CB 0.408 19.412 19.000 0.008 0.000 1.007 312 A HN 0.235 8.388 8.150 0.006 0.000 0.506 313 V N -4.557 115.364 119.914 0.011 0.000 4.033 313 V HA -0.044 nan 4.120 nan 0.000 0.166 313 V C 1.050 177.153 176.094 0.015 0.000 1.446 313 V CA 0.611 62.917 62.300 0.011 0.000 1.045 313 V CB 0.396 32.225 31.823 0.010 0.000 1.088 313 V HN 0.225 8.422 8.190 0.012 0.000 0.585 314 K N 0.810 121.222 120.400 0.020 0.000 8.940 314 K HA -0.475 nan 4.320 nan 0.000 0.489 314 K C 1.197 177.813 176.600 0.027 0.000 0.452 314 K CA 2.506 58.808 56.287 0.024 0.000 1.842 314 K CB -1.308 31.204 32.500 0.019 0.000 0.915 314 K HN 0.358 8.620 8.250 0.020 0.000 1.015 315 G N -0.477 108.335 108.800 0.021 0.000 2.711 315 G HA2 -0.113 nan 3.960 nan 0.000 0.186 315 G HA3 -0.113 nan 3.960 nan 0.000 0.186 315 G C -2.107 172.808 174.900 0.025 0.000 1.635 315 G CA -0.206 44.906 45.100 0.020 0.000 1.065 315 G HN 0.100 8.342 8.290 0.017 0.058 0.545 316 N N -1.324 117.389 118.700 0.021 0.000 2.240 316 N HA 0.331 nan 4.740 nan 0.000 0.302 316 N C -1.234 174.284 175.510 0.013 0.000 1.106 316 N CA -1.194 51.870 53.050 0.023 0.000 0.778 316 N CB 2.508 41.012 38.487 0.028 0.000 1.431 316 N HN -0.040 8.350 8.380 0.018 0.000 0.479 317 Q N 1.035 120.837 119.800 0.002 0.000 2.357 317 Q HA 0.250 nan 4.340 nan 0.000 0.266 317 Q C -1.512 174.471 176.000 -0.028 0.000 1.021 317 Q CA -1.997 53.798 55.803 -0.014 0.000 0.784 317 Q CB 1.454 30.176 28.738 -0.027 0.000 1.243 317 Q HN 0.323 8.486 8.270 0.003 0.109 0.465 318 L N 3.779 124.997 121.223 -0.008 0.000 2.315 318 L HA 0.152 nan 4.340 nan 0.000 0.283 318 L C -0.714 176.142 176.870 -0.024 0.000 1.089 318 L CA -0.127 54.715 54.840 0.004 0.000 0.833 318 L CB -0.448 41.631 42.059 0.034 0.000 1.170 318 L HN 0.383 8.614 8.230 0.002 0.000 0.442 319 L N 6.379 127.554 121.223 -0.080 0.000 2.379 319 L HA 0.428 nan 4.340 nan 0.000 0.269 319 L C -1.841 175.093 176.870 0.105 0.000 1.084 319 L CA -2.895 51.890 54.840 -0.091 0.000 0.802 319 L CB 0.856 42.665 42.059 -0.418 0.000 1.175 319 L HN 0.601 8.640 8.230 -0.114 0.122 0.448 320 P HA -0.086 nan 4.420 nan 0.000 0.271 320 P C -2.025 175.390 177.300 0.191 0.000 1.233 320 P CA 0.052 63.226 63.100 0.124 0.000 0.789 320 P CB 0.484 32.222 31.700 0.063 0.000 0.951 321 V N -1.310 118.636 119.914 0.053 0.000 3.012 321 V HA 0.456 nan 4.120 nan 0.000 0.307 321 V C -1.849 174.181 176.094 -0.107 0.000 1.166 321 V CA -1.476 60.784 62.300 -0.067 0.000 0.974 321 V CB 2.998 34.778 31.823 -0.072 0.000 1.040 321 V HN 0.170 8.375 8.190 0.025 0.000 0.428 322 S N 4.058 119.655 115.700 -0.172 0.000 2.732 322 S HA 0.376 nan 4.470 nan 0.000 0.293 322 S C -2.603 171.881 174.600 -0.194 0.000 1.159 322 S CA -1.948 56.162 58.200 -0.150 0.000 0.847 322 S CB 3.233 66.362 63.200 -0.118 0.000 1.169 322 S HN -0.035 8.133 8.310 -0.238 0.000 0.501 323 L N 0.346 121.469 121.223 -0.166 0.000 2.343 323 L HA 0.473 nan 4.340 nan 0.000 0.278 323 L C -1.720 175.048 176.870 -0.170 0.000 0.996 323 L CA -0.783 53.940 54.840 -0.195 0.000 0.831 323 L CB 1.815 43.748 42.059 -0.209 0.000 1.232 323 L HN 0.096 8.246 8.230 -0.133 0.000 0.413 324 V N 8.760 128.571 119.914 -0.171 0.000 2.368 324 V HA 0.132 nan 4.120 nan 0.000 0.266 324 V C -0.998 175.016 176.094 -0.133 0.000 1.045 324 V CA -0.732 61.489 62.300 -0.132 0.000 0.899 324 V CB 0.213 31.963 31.823 -0.122 0.000 1.006 324 V HN 0.860 8.935 8.190 -0.191 0.000 0.470 325 K N 8.472 128.808 120.400 -0.105 0.000 2.276 325 K HA 0.209 nan 4.320 nan 0.000 0.285 325 K C -0.895 175.686 176.600 -0.032 0.000 1.062 325 K CA 0.481 56.722 56.287 -0.076 0.000 0.918 325 K CB 0.609 33.092 32.500 -0.029 0.000 1.055 325 K HN 0.431 8.628 8.250 -0.087 0.000 0.477 326 R N 3.032 123.522 120.500 -0.017 0.000 3.361 326 R HA 0.451 nan 4.340 nan 0.000 0.188 326 R C 0.051 176.369 176.300 0.029 0.000 1.441 326 R CA -1.824 54.278 56.100 0.002 0.000 0.810 326 R CB 2.471 32.766 30.300 -0.008 0.000 1.658 326 R HN 0.287 8.544 8.270 -0.022 0.000 0.483 327 K N -0.193 120.228 120.400 0.035 0.000 2.498 327 K HA 0.193 nan 4.320 nan 0.000 0.207 327 K C -0.011 176.621 176.600 0.053 0.000 1.033 327 K CA -0.002 56.312 56.287 0.044 0.000 1.138 327 K CB 0.391 32.914 32.500 0.039 0.000 0.860 327 K HN -0.114 8.156 8.250 0.032 0.000 0.490 328 T N -5.441 109.148 114.554 0.058 0.000 3.134 328 T HA 0.250 nan 4.350 nan 0.000 0.260 328 T C -0.814 173.922 174.700 0.061 0.000 1.027 328 T CA -0.943 61.192 62.100 0.058 0.000 0.913 328 T CB 0.616 69.522 68.868 0.064 0.000 1.046 328 T HN -0.412 7.861 8.240 0.055 0.000 0.553 329 T N 3.584 118.189 114.554 0.085 0.000 2.861 329 T HA 0.655 nan 4.350 nan 0.000 0.287 329 T C -1.338 173.422 174.700 0.101 0.000 1.003 329 T CA 0.268 62.439 62.100 0.117 0.000 0.977 329 T CB 1.573 70.595 68.868 0.256 0.000 0.996 329 T HN -0.396 7.820 8.240 0.082 0.074 0.448 330 L N 4.052 125.346 121.223 0.119 0.000 2.653 330 L HA 0.332 nan 4.340 nan 0.000 0.257 330 L C -2.005 174.938 176.870 0.123 0.000 0.969 330 L CA -0.537 54.356 54.840 0.088 0.000 0.869 330 L CB 4.720 46.818 42.059 0.065 0.000 1.439 330 L HN 0.214 8.541 8.230 0.162 0.000 0.414 331 A N 2.160 124.972 122.820 -0.013 0.000 2.445 331 A HA 0.223 nan 4.320 nan 0.000 0.242 331 A C -1.558 175.921 177.584 -0.175 0.000 1.075 331 A CA -1.027 50.906 52.037 -0.173 0.000 0.777 331 A CB -0.830 18.086 19.000 -0.139 0.000 1.013 331 A HN 0.378 8.518 8.150 -0.017 0.000 0.493 332 P HA -0.289 nan 4.420 nan 0.000 0.217 332 P C -0.557 176.705 177.300 -0.063 0.000 1.176 332 P CA 0.583 63.575 63.100 -0.179 0.000 0.852 332 P CB 0.207 31.762 31.700 -0.241 0.000 0.571 333 N N -1.133 117.534 118.700 -0.055 0.000 2.386 333 N HA -0.163 nan 4.740 nan 0.000 0.273 333 N C -0.392 175.098 175.510 -0.034 0.000 1.331 333 N CA 1.111 54.142 53.050 -0.031 0.000 0.891 333 N CB -0.378 38.091 38.487 -0.029 0.000 1.139 333 N HN 0.218 8.559 8.380 -0.066 0.000 0.487 334 T N 4.305 118.847 114.554 -0.019 0.000 2.758 334 T HA 0.195 nan 4.350 nan 0.000 0.285 334 T C 0.860 175.552 174.700 -0.012 0.000 0.981 334 T CA -0.311 61.779 62.100 -0.018 0.000 0.965 334 T CB 1.146 70.008 68.868 -0.010 0.000 0.927 334 T HN 0.032 8.266 8.240 -0.010 0.000 0.448 335 Q N 5.174 124.965 119.800 -0.014 0.000 2.336 335 Q HA -0.126 nan 4.340 nan 0.000 0.231 335 Q C -0.743 175.253 176.000 -0.007 0.000 0.900 335 Q CA -1.439 54.357 55.803 -0.011 0.000 0.966 335 Q CB -2.134 26.597 28.738 -0.013 0.000 1.219 335 Q HN 0.552 8.810 8.270 -0.019 0.000 0.412 336 T N -0.150 114.401 114.554 -0.005 0.000 0.547 336 T HA -0.395 nan 4.350 nan 0.000 0.773 336 T C -1.259 173.440 174.700 -0.002 0.000 0.992 336 T CA 0.326 62.424 62.100 -0.002 0.000 4.073 336 T CB -0.082 68.785 68.868 -0.002 0.000 2.301 336 T HN -0.018 8.123 8.240 -0.005 0.097 0.397 337 A N 6.278 129.098 122.820 0.000 0.000 5.729 337 A HA 0.090 nan 4.320 nan 0.000 0.182 337 A C -1.979 175.607 177.584 0.003 0.000 0.904 337 A CA -0.133 51.904 52.037 0.000 0.000 0.822 337 A CB 1.105 20.105 19.000 -0.001 0.000 2.141 337 A HN -0.089 8.062 8.150 0.002 0.000 1.054 338 S N -0.661 115.041 115.700 0.004 0.000 3.336 338 S HA -0.032 nan 4.470 nan 0.000 0.759 338 S C -1.683 172.920 174.600 0.006 0.000 0.608 338 S CA -0.611 57.593 58.200 0.006 0.000 1.491 338 S CB -0.133 63.072 63.200 0.009 0.000 0.999 338 S HN -0.055 8.256 8.310 0.002 0.000 0.929 339 P HA -0.244 nan 4.420 nan 0.000 0.215 339 P C 0.698 178.001 177.300 0.006 0.000 1.153 339 P CA 2.536 65.639 63.100 0.005 0.000 0.853 339 P CB 0.141 31.844 31.700 0.005 0.000 0.788 340 R N -2.611 117.894 120.500 0.008 0.000 2.115 340 R HA -0.227 nan 4.340 nan 0.000 0.230 340 R C 1.487 177.793 176.300 0.010 0.000 1.111 340 R CA 2.245 58.351 56.100 0.009 0.000 0.976 340 R CB -1.053 29.254 30.300 0.011 0.000 0.870 340 R HN 0.105 8.380 8.270 0.009 0.000 0.445 341 A N 0.013 122.838 122.820 0.010 0.000 1.835 341 A HA -0.278 nan 4.320 nan 0.000 0.215 341 A C 2.116 179.705 177.584 0.008 0.000 1.199 341 A CA 2.980 55.022 52.037 0.009 0.000 0.615 341 A CB -0.917 18.088 19.000 0.009 0.000 0.838 341 A HN -0.579 7.462 8.150 0.009 0.115 0.444 342 L N -2.134 119.093 121.223 0.006 0.000 2.043 342 L HA -0.505 nan 4.340 nan 0.000 0.212 342 L C 2.400 179.273 176.870 0.006 0.000 1.075 342 L CA 2.990 57.833 54.840 0.005 0.000 0.752 342 L CB -0.806 41.256 42.059 0.004 0.000 0.891 342 L HN 0.039 8.273 8.230 0.006 0.000 0.432 343 A N -1.515 121.309 122.820 0.006 0.000 1.933 343 A HA -0.426 nan 4.320 nan 0.000 0.218 343 A C 2.116 179.704 177.584 0.007 0.000 1.175 343 A CA 3.342 55.382 52.037 0.006 0.000 0.628 343 A CB -1.227 17.777 19.000 0.006 0.000 0.814 343 A HN 0.400 8.448 8.150 0.006 0.106 0.444 344 D N -1.132 119.272 120.400 0.008 0.000 2.144 344 D HA -0.215 nan 4.640 nan 0.000 0.200 344 D C 2.540 178.845 176.300 0.008 0.000 0.978 344 D CA 3.412 57.417 54.000 0.009 0.000 0.833 344 D CB -0.212 40.594 40.800 0.010 0.000 0.961 344 D HN 0.253 8.395 8.370 0.008 0.233 0.470 345 S N 1.603 117.307 115.700 0.007 0.000 2.356 345 S HA -0.322 nan 4.470 nan 0.000 0.223 345 S C 2.253 176.856 174.600 0.005 0.000 1.032 345 S CA 3.510 61.713 58.200 0.006 0.000 1.005 345 S CB 0.071 63.274 63.200 0.006 0.000 0.867 345 S HN -0.007 8.226 8.310 0.007 0.081 0.449 346 L N 1.744 122.970 121.223 0.005 0.000 2.012 346 L HA -0.418 nan 4.340 nan 0.000 0.210 346 L C 1.955 178.828 176.870 0.005 0.000 1.073 346 L CA 3.724 58.566 54.840 0.004 0.000 0.748 346 L CB -0.180 41.881 42.059 0.004 0.000 0.891 346 L HN 0.426 8.589 8.230 0.005 0.070 0.431 347 M N -2.502 117.102 119.600 0.005 0.000 2.080 347 M HA -0.446 nan 4.480 nan 0.000 0.260 347 M C 3.123 179.426 176.300 0.006 0.000 1.068 347 M CA 2.915 58.218 55.300 0.006 0.000 1.109 347 M CB -1.247 31.357 32.600 0.006 0.000 1.342 347 M HN -0.119 8.175 8.290 0.006 0.000 0.405 348 Q N -0.838 118.965 119.800 0.006 0.000 2.172 348 Q HA -0.235 nan 4.340 nan 0.000 0.200 348 Q C 2.728 178.731 176.000 0.005 0.000 0.964 348 Q CA 2.688 58.494 55.803 0.006 0.000 0.855 348 Q CB 0.016 28.758 28.738 0.006 0.000 0.918 348 Q HN -0.303 7.971 8.270 0.006 0.000 0.444 349 L N -0.437 120.789 121.223 0.005 0.000 2.056 349 L HA -0.225 nan 4.340 nan 0.000 0.207 349 L C 1.956 178.828 176.870 0.004 0.000 1.078 349 L CA 2.409 57.252 54.840 0.004 0.000 0.749 349 L CB -0.782 41.279 42.059 0.004 0.000 0.901 349 L HN 0.437 8.453 8.230 0.005 0.217 0.433 350 A N -3.100 119.723 122.820 0.004 0.000 2.125 350 A HA -0.272 nan 4.320 nan 0.000 0.219 350 A C 2.146 179.732 177.584 0.003 0.000 1.156 350 A CA 3.092 55.132 52.037 0.003 0.000 0.671 350 A CB -0.579 18.423 19.000 0.004 0.000 0.794 350 A HN 0.652 8.696 8.150 0.004 0.109 0.459 351 R N -2.954 117.548 120.500 0.004 0.000 2.100 351 R HA -0.116 nan 4.340 nan 0.000 0.220 351 R C 2.467 178.769 176.300 0.003 0.000 1.091 351 R CA 1.659 57.761 56.100 0.004 0.000 0.986 351 R CB -0.882 29.421 30.300 0.004 0.000 0.888 351 R HN -0.590 7.510 8.270 0.004 0.173 0.444 352 Q N 0.282 120.084 119.800 0.003 0.000 2.119 352 Q HA -0.219 nan 4.340 nan 0.000 0.201 352 Q C 2.551 178.552 176.000 0.003 0.000 0.972 352 Q CA 3.110 58.915 55.803 0.003 0.000 0.847 352 Q CB -0.047 28.693 28.738 0.003 0.000 0.903 352 Q HN -0.465 7.807 8.270 0.004 0.000 0.433 353 V N -1.708 118.207 119.914 0.003 0.000 2.343 353 V HA -0.320 nan 4.120 nan 0.000 0.247 353 V C 1.706 177.802 176.094 0.002 0.000 1.051 353 V CA 3.445 65.746 62.300 0.002 0.000 1.036 353 V CB -0.917 30.908 31.823 0.002 0.000 0.654 353 V HN -0.354 7.829 8.190 0.003 0.009 0.451 354 S N -0.316 115.386 115.700 0.003 0.000 2.368 354 S HA -0.286 nan 4.470 nan 0.000 0.225 354 S C 1.349 175.951 174.600 0.002 0.000 1.030 354 S CA 2.532 60.734 58.200 0.002 0.000 0.999 354 S CB -0.089 63.112 63.200 0.003 0.000 0.844 354 S HN -0.459 7.758 8.310 0.003 0.094 0.459 355 R N 0.269 120.770 120.500 0.002 0.000 2.275 355 R HA -0.028 nan 4.340 nan 0.000 0.199 355 R C 0.576 176.877 176.300 0.002 0.000 0.989 355 R CA 0.231 56.332 56.100 0.002 0.000 1.016 355 R CB 0.563 30.865 30.300 0.002 0.000 0.918 355 R HN -0.662 7.526 8.270 0.003 0.084 0.473 356 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 8.045 8.230 0.002 0.187 0.502