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 3edc_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 RQVSRLESGQ 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 -0.004 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 0.987 122.207 121.223 -0.005 0.000 2.456 62 L HA -0.094 4.245 4.340 -0.002 0.000 0.574 62 L C -1.728 175.137 176.870 -0.008 0.000 1.000 62 L CA -0.075 54.761 54.840 -0.006 0.000 1.269 62 L CB -0.170 41.886 42.059 -0.006 0.000 1.865 62 L HN 0.635 nan 8.230 nan 0.000 0.941 63 L N 7.092 128.310 121.223 -0.009 0.000 2.305 63 L HA 0.696 5.035 4.340 -0.002 0.000 0.284 63 L C -0.359 176.503 176.870 -0.015 0.000 1.013 63 L CA 0.087 54.920 54.840 -0.011 0.000 0.819 63 L CB 1.397 43.450 42.059 -0.010 0.000 1.227 63 L HN 0.384 nan 8.230 nan 0.000 0.417 64 I N 4.647 125.207 120.570 -0.017 0.000 2.336 64 I HA 0.473 4.642 4.170 -0.002 0.000 0.292 64 I C 0.690 176.791 176.117 -0.027 0.000 0.991 64 I CA -0.450 60.836 61.300 -0.023 0.000 1.227 64 I CB 1.606 39.592 38.000 -0.022 0.000 1.366 64 I HN 0.755 nan 8.210 nan 0.000 0.466 65 G N 5.634 114.413 108.800 -0.035 0.000 2.332 65 G HA2 0.563 4.522 3.960 -0.002 0.000 0.310 65 G HA3 0.563 4.522 3.960 -0.002 0.000 0.310 65 G C -0.821 174.048 174.900 -0.053 0.000 1.123 65 G CA -0.289 44.787 45.100 -0.040 0.000 0.873 65 G HN 0.353 nan 8.290 nan 0.000 0.460 66 V N 1.650 121.536 119.914 -0.047 0.000 2.409 66 V HA 0.641 4.760 4.120 -0.002 0.000 0.291 66 V C 0.399 176.462 176.094 -0.051 0.000 1.020 66 V CA -0.907 61.363 62.300 -0.051 0.000 0.848 66 V CB 1.294 33.096 31.823 -0.035 0.000 0.990 66 V HN 1.029 nan 8.190 nan 0.000 0.430 67 A N 3.393 126.173 122.820 -0.066 0.000 2.252 67 A HA 0.737 5.056 4.320 -0.002 0.000 0.309 67 A C 0.065 177.640 177.584 -0.014 0.000 1.285 67 A CA -0.295 51.703 52.037 -0.064 0.000 0.900 67 A CB 0.956 19.890 19.000 -0.109 0.000 1.157 67 A HN 0.733 nan 8.150 nan 0.000 0.536 68 T N 1.741 116.301 114.554 0.011 0.000 2.861 68 T HA 0.543 4.892 4.350 -0.002 0.000 0.287 68 T C 0.482 175.266 174.700 0.141 0.000 1.003 68 T CA 0.014 62.151 62.100 0.062 0.000 0.977 68 T CB 0.591 69.468 68.868 0.014 0.000 0.996 68 T HN 1.090 nan 8.240 nan 0.000 0.448 69 S N 3.541 119.386 115.700 0.242 0.000 2.563 69 S HA 0.145 4.614 4.470 -0.002 0.000 0.269 69 S C 0.708 175.359 174.600 0.085 0.000 1.364 69 S CA -0.560 57.772 58.200 0.221 0.000 1.010 69 S CB 0.194 63.402 63.200 0.013 0.000 0.877 69 S HN 0.851 nan 8.310 nan 0.000 0.549 70 S N 0.130 115.874 115.700 0.073 0.000 2.563 70 S HA 0.044 4.513 4.470 -0.002 0.000 0.294 70 S C 0.964 175.568 174.600 0.006 0.000 1.279 70 S CA -0.601 57.623 58.200 0.041 0.000 1.069 70 S CB -0.631 62.596 63.200 0.045 0.000 0.828 70 S HN 0.592 nan 8.310 nan 0.000 0.497 71 L N 4.588 125.818 121.223 0.010 0.000 2.622 71 L HA 0.048 4.387 4.340 -0.002 0.000 0.233 71 L C 2.438 179.325 176.870 0.029 0.000 1.156 71 L CA 0.668 55.511 54.840 0.005 0.000 0.866 71 L CB -0.613 41.449 42.059 0.005 0.000 0.980 71 L HN 0.832 nan 8.230 nan 0.000 0.448 72 A N -0.097 122.742 122.820 0.032 0.000 2.172 72 A HA 0.062 4.381 4.320 -0.002 0.000 0.216 72 A C 1.063 178.666 177.584 0.031 0.000 1.154 72 A CA 0.576 52.644 52.037 0.050 0.000 0.701 72 A CB -0.277 18.747 19.000 0.040 0.000 0.789 72 A HN 0.302 nan 8.150 nan 0.000 0.465 73 L N -0.508 120.701 121.223 -0.023 0.000 2.309 73 L HA 0.327 4.666 4.340 -0.002 0.000 0.282 73 L C 1.070 177.911 176.870 -0.049 0.000 1.036 73 L CA -1.027 53.735 54.840 -0.131 0.000 0.806 73 L CB 1.041 42.989 42.059 -0.185 0.000 1.220 73 L HN 0.304 nan 8.230 nan 0.000 0.429 74 H N 2.284 121.300 119.070 -0.090 0.000 2.363 74 H HA -0.045 4.510 4.556 -0.001 0.000 0.301 74 H C 1.914 177.103 175.328 -0.231 0.000 1.074 74 H CA 1.237 57.222 56.048 -0.104 0.000 1.354 74 H CB -0.180 29.561 29.762 -0.034 0.000 1.397 74 H HN 0.788 nan 8.280 nan 0.000 0.516 75 A N 1.814 124.496 122.820 -0.231 0.000 1.865 75 A HA -0.113 4.207 4.320 -0.002 0.000 0.217 75 A C -0.023 177.193 177.584 -0.614 0.000 1.191 75 A CA 1.665 53.306 52.037 -0.660 0.000 0.623 75 A CB -1.414 17.213 19.000 -0.622 0.000 0.826 75 A HN 0.337 nan 8.150 nan 0.000 0.444 76 P HA -0.102 nan 4.420 nan 0.000 0.215 76 P C 1.734 178.936 177.300 -0.163 0.000 1.153 76 P CA 1.792 64.753 63.100 -0.232 0.000 0.853 76 P CB -0.156 31.448 31.700 -0.158 0.000 0.788 77 S N -0.594 115.032 115.700 -0.123 0.000 2.356 77 S HA -0.215 4.254 4.470 -0.002 0.000 0.223 77 S C 1.978 176.525 174.600 -0.087 0.000 1.032 77 S CA 1.260 59.416 58.200 -0.072 0.000 1.005 77 S CB -0.829 62.355 63.200 -0.027 0.000 0.867 77 S HN 0.321 nan 8.310 nan 0.000 0.449 78 Q N 0.090 119.805 119.800 -0.142 0.000 2.170 78 Q HA -0.022 4.317 4.340 -0.002 0.000 0.203 78 Q C 2.089 178.049 176.000 -0.065 0.000 0.976 78 Q CA 1.056 56.800 55.803 -0.098 0.000 0.858 78 Q CB -0.281 28.396 28.738 -0.101 0.000 0.907 78 Q HN 0.540 nan 8.270 nan 0.000 0.433 79 I N 0.263 120.738 120.570 -0.158 0.000 2.202 79 I HA -0.224 3.945 4.170 -0.002 0.000 0.242 79 I C 2.406 178.518 176.117 -0.009 0.000 1.091 79 I CA 0.955 62.232 61.300 -0.039 0.000 1.368 79 I CB -0.409 37.550 38.000 -0.069 0.000 1.058 79 I HN 0.128 nan 8.210 nan 0.000 0.410 80 V N -0.567 119.326 119.914 -0.034 0.000 2.490 80 V HA -0.169 3.950 4.120 -0.002 0.000 0.250 80 V C 2.554 178.644 176.094 -0.006 0.000 1.061 80 V CA 1.590 63.880 62.300 -0.017 0.000 1.064 80 V CB -1.356 30.454 31.823 -0.022 0.000 0.670 80 V HN 0.321 nan 8.190 nan 0.000 0.461 81 A N 0.727 123.543 122.820 -0.007 0.000 1.933 81 A HA 0.086 4.406 4.320 -0.002 0.000 0.218 81 A C 2.470 180.064 177.584 0.017 0.000 1.175 81 A CA 2.341 54.380 52.037 0.003 0.000 0.628 81 A CB -0.974 18.027 19.000 0.001 0.000 0.814 81 A HN 0.979 nan 8.150 nan 0.000 0.444 82 A N -0.303 122.538 122.820 0.035 0.000 1.930 82 A HA 0.063 4.382 4.320 -0.002 0.000 0.215 82 A C 2.083 179.688 177.584 0.036 0.000 1.176 82 A CA 1.162 53.229 52.037 0.051 0.000 0.632 82 A CB -0.502 18.556 19.000 0.095 0.000 0.819 82 A HN 0.464 nan 8.150 nan 0.000 0.445 83 I N -0.197 120.390 120.570 0.028 0.000 2.127 83 I HA -0.296 3.873 4.170 -0.002 0.000 0.241 83 I C 2.560 178.681 176.117 0.007 0.000 1.075 83 I CA 1.982 63.290 61.300 0.014 0.000 1.334 83 I CB -0.179 37.823 38.000 0.005 0.000 1.040 83 I HN 0.322 nan 8.210 nan 0.000 0.405 84 K N 1.036 121.439 120.400 0.005 0.000 2.063 84 K HA -0.210 4.109 4.320 -0.002 0.000 0.208 84 K C 2.219 178.821 176.600 0.004 0.000 1.048 84 K CA 2.212 58.500 56.287 0.002 0.000 0.928 84 K CB -0.654 31.846 32.500 -0.000 0.000 0.713 84 K HN 0.176 nan 8.250 nan 0.000 0.442 85 S N -0.219 115.486 115.700 0.009 0.000 2.353 85 S HA -0.191 4.278 4.470 -0.002 0.000 0.222 85 S C 2.147 176.753 174.600 0.008 0.000 1.035 85 S CA 1.645 59.850 58.200 0.010 0.000 1.025 85 S CB -0.464 62.745 63.200 0.016 0.000 0.902 85 S HN 0.441 nan 8.310 nan 0.000 0.440 86 R N 1.465 121.971 120.500 0.011 0.000 2.081 86 R HA 0.155 4.494 4.340 -0.002 0.000 0.235 86 R C 2.342 178.644 176.300 0.003 0.000 1.131 86 R CA 1.878 57.983 56.100 0.008 0.000 0.960 86 R CB -1.374 28.932 30.300 0.010 0.000 0.856 86 R HN 0.434 nan 8.270 nan 0.000 0.436 87 A N 0.710 123.532 122.820 0.002 0.000 1.883 87 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 87 A C 1.839 179.422 177.584 -0.001 0.000 1.186 87 A CA 2.094 54.130 52.037 -0.001 0.000 0.624 87 A CB -0.881 18.117 19.000 -0.003 0.000 0.822 87 A HN 0.421 nan 8.150 nan 0.000 0.444 88 D N -0.549 119.851 120.400 -0.000 0.000 2.123 88 D HA -0.163 4.476 4.640 -0.002 0.000 0.196 88 D C 2.203 178.503 176.300 0.000 0.000 0.992 88 D CA 1.578 55.578 54.000 -0.000 0.000 0.833 88 D CB -0.413 40.387 40.800 0.000 0.000 0.954 88 D HN 0.654 nan 8.370 nan 0.000 0.455 89 Q N -0.432 119.369 119.800 0.001 0.000 2.124 89 Q HA -0.031 4.308 4.340 -0.002 0.000 0.202 89 Q C 1.998 177.998 176.000 0.000 0.000 0.977 89 Q CA 0.744 56.548 55.803 0.001 0.000 0.850 89 Q CB 0.027 28.766 28.738 0.002 0.000 0.901 89 Q HN 0.334 nan 8.270 nan 0.000 0.429 90 L N -1.338 119.885 121.223 -0.000 0.000 2.592 90 L HA 0.228 4.567 4.340 -0.002 0.000 0.227 90 L C 1.039 177.908 176.870 -0.002 0.000 1.127 90 L CA 0.321 55.161 54.840 -0.001 0.000 0.884 90 L CB 0.129 42.188 42.059 -0.002 0.000 1.065 90 L HN 0.390 nan 8.230 nan 0.000 0.457 91 G N 0.592 109.391 108.800 -0.002 0.000 2.136 91 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.242 91 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.242 91 G C 0.244 175.142 174.900 -0.003 0.000 0.989 91 G CA 0.101 45.199 45.100 -0.002 0.000 0.682 91 G HN 0.498 nan 8.290 nan 0.000 0.522 92 A N -0.373 122.445 122.820 -0.004 0.000 2.295 92 A HA 0.893 5.212 4.320 -0.002 0.000 0.318 92 A C 0.541 178.121 177.584 -0.005 0.000 1.134 92 A CA 0.496 52.529 52.037 -0.005 0.000 0.827 92 A CB 1.189 20.186 19.000 -0.006 0.000 1.136 92 A HN 0.920 nan 8.150 nan 0.000 0.493 93 S N -0.583 115.114 115.700 -0.007 0.000 2.651 93 S HA 0.665 5.134 4.470 -0.002 0.000 0.291 93 S C -0.538 174.056 174.600 -0.009 0.000 1.141 93 S CA -0.493 57.702 58.200 -0.007 0.000 1.027 93 S CB 1.530 64.725 63.200 -0.007 0.000 1.043 93 S HN 0.630 nan 8.310 nan 0.000 0.530 94 V N 1.819 121.727 119.914 -0.010 0.000 2.709 94 V HA 0.638 4.757 4.120 -0.002 0.000 0.308 94 V C -0.765 175.321 176.094 -0.012 0.000 1.062 94 V CA -0.668 61.625 62.300 -0.012 0.000 0.901 94 V CB 1.886 33.703 31.823 -0.011 0.000 1.003 94 V HN 0.614 nan 8.190 nan 0.000 0.425 95 V N 5.705 125.609 119.914 -0.016 0.000 2.588 95 V HA 0.733 4.852 4.120 -0.002 0.000 0.304 95 V C -0.927 175.155 176.094 -0.020 0.000 1.042 95 V CA -0.252 62.038 62.300 -0.016 0.000 0.877 95 V CB 2.237 34.051 31.823 -0.015 0.000 0.996 95 V HN 0.653 nan 8.190 nan 0.000 0.425 96 V N 5.434 125.337 119.914 -0.018 0.000 2.555 96 V HA 0.682 4.801 4.120 -0.002 0.000 0.302 96 V C -0.032 176.049 176.094 -0.021 0.000 1.038 96 V CA -0.295 61.992 62.300 -0.021 0.000 0.887 96 V CB 1.964 33.778 31.823 -0.016 0.000 0.991 96 V HN 0.926 nan 8.190 nan 0.000 0.434 97 S N 5.579 121.261 115.700 -0.029 0.000 2.502 97 S HA 0.774 5.244 4.470 -0.002 0.000 0.304 97 S C -0.754 173.826 174.600 -0.035 0.000 1.097 97 S CA -0.684 57.496 58.200 -0.032 0.000 1.045 97 S CB 1.027 64.203 63.200 -0.041 0.000 1.019 97 S HN 0.606 nan 8.310 nan 0.000 0.481 98 M N 3.910 123.494 119.600 -0.026 0.000 2.363 98 M HA 0.560 5.039 4.480 -0.002 0.000 0.343 98 M C -0.964 175.317 176.300 -0.031 0.000 1.165 98 M CA -0.758 54.533 55.300 -0.014 0.000 1.046 98 M CB 1.910 34.511 32.600 0.002 0.000 1.648 98 M HN 0.350 nan 8.290 nan 0.000 0.452 99 V N 0.745 120.646 119.914 -0.022 0.000 2.628 99 V HA 0.447 4.566 4.120 -0.002 0.000 0.306 99 V C -0.218 175.899 176.094 0.039 0.000 1.045 99 V CA -0.850 61.398 62.300 -0.087 0.000 0.905 99 V CB 1.809 33.410 31.823 -0.370 0.000 0.997 99 V HN 0.691 nan 8.190 nan 0.000 0.436 100 E N 2.436 122.647 120.200 0.018 0.000 2.345 100 E HA 0.265 4.614 4.350 -0.002 0.000 0.259 100 E C 1.114 177.826 176.600 0.186 0.000 1.117 100 E CA -0.584 55.868 56.400 0.086 0.000 0.913 100 E CB 0.688 30.416 29.700 0.046 0.000 1.057 100 E HN 0.593 nan 8.360 nan 0.000 0.432 101 R N 1.233 121.838 120.500 0.175 0.000 2.346 101 R HA -0.018 4.322 4.340 -0.002 0.000 0.208 101 R C 0.998 177.408 176.300 0.183 0.000 1.052 101 R CA 0.833 57.053 56.100 0.199 0.000 1.116 101 R CB -0.430 29.944 30.300 0.123 0.000 1.003 101 R HN 0.315 nan 8.270 nan 0.000 0.482 102 S N -0.575 115.225 115.700 0.167 0.000 2.461 102 S HA 0.130 4.599 4.470 -0.002 0.000 0.228 102 S C 1.097 175.778 174.600 0.135 0.000 1.005 102 S CA 0.492 58.758 58.200 0.110 0.000 0.942 102 S CB -0.098 63.138 63.200 0.060 0.000 0.776 102 S HN 0.781 nan 8.310 nan 0.000 0.514 103 G N 0.156 109.100 108.800 0.241 0.000 2.445 103 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.212 103 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.212 103 G C 0.544 175.535 174.900 0.152 0.000 1.217 103 G CA -0.009 45.247 45.100 0.259 0.000 1.002 103 G HN 0.911 nan 8.290 nan 0.000 0.574 104 V N 1.169 121.148 119.914 0.108 0.000 2.343 104 V HA -0.073 4.046 4.120 -0.002 0.000 0.247 104 V C 2.613 178.702 176.094 -0.009 0.000 1.051 104 V CA 3.363 65.697 62.300 0.057 0.000 1.036 104 V CB -0.439 31.416 31.823 0.054 0.000 0.654 104 V HN 0.837 nan 8.190 nan 0.000 0.451 105 E N -0.072 120.127 120.200 -0.001 0.000 2.049 105 E HA -0.266 4.084 4.350 -0.002 0.000 0.198 105 E C 2.146 178.709 176.600 -0.062 0.000 1.007 105 E CA 1.832 58.221 56.400 -0.018 0.000 0.809 105 E CB -0.409 29.293 29.700 0.003 0.000 0.749 105 E HN 0.663 nan 8.360 nan 0.000 0.450 106 A N 0.545 123.322 122.820 -0.072 0.000 1.933 106 A HA -0.196 4.123 4.320 -0.002 0.000 0.218 106 A C 2.508 179.937 177.584 -0.259 0.000 1.175 106 A CA 1.379 53.337 52.037 -0.132 0.000 0.628 106 A CB -1.135 17.803 19.000 -0.103 0.000 0.814 106 A HN 0.590 nan 8.150 nan 0.000 0.444 107 C N -0.197 118.903 119.300 -0.335 0.000 2.446 107 C HA -0.049 4.410 4.460 -0.002 0.000 0.277 107 C C 2.712 177.541 174.990 -0.268 0.000 1.275 107 C CA 1.361 60.133 59.018 -0.410 0.000 1.727 107 C CB -1.037 26.499 27.740 -0.339 0.000 2.010 107 C HN 0.594 nan 8.230 nan 0.000 0.486 108 K N 0.770 121.032 120.400 -0.230 0.000 2.097 108 K HA -0.114 4.205 4.320 -0.002 0.000 0.206 108 K C 2.248 178.557 176.600 -0.485 0.000 1.049 108 K CA 1.517 57.584 56.287 -0.367 0.000 0.933 108 K CB -0.438 31.897 32.500 -0.276 0.000 0.717 108 K HN 0.570 nan 8.250 nan 0.000 0.442 109 A N 1.856 124.535 122.820 -0.235 0.000 1.883 109 A HA -0.150 4.169 4.320 -0.002 0.000 0.217 109 A C 2.456 179.981 177.584 -0.098 0.000 1.186 109 A CA 2.017 53.994 52.037 -0.101 0.000 0.624 109 A CB -0.704 18.264 19.000 -0.053 0.000 0.822 109 A HN 0.338 nan 8.150 nan 0.000 0.444 110 A N -0.623 122.111 122.820 -0.144 0.000 1.877 110 A HA -0.025 4.294 4.320 -0.002 0.000 0.216 110 A C 2.237 179.755 177.584 -0.111 0.000 1.186 110 A CA 1.834 53.799 52.037 -0.120 0.000 0.620 110 A CB -1.101 17.804 19.000 -0.157 0.000 0.822 110 A HN 0.432 nan 8.150 nan 0.000 0.443 111 V N 0.057 119.867 119.914 -0.173 0.000 2.324 111 V HA -0.313 3.806 4.120 -0.002 0.000 0.250 111 V C 2.512 178.579 176.094 -0.044 0.000 1.060 111 V CA 2.383 64.595 62.300 -0.146 0.000 1.042 111 V CB -1.090 30.610 31.823 -0.206 0.000 0.650 111 V HN 0.667 nan 8.190 nan 0.000 0.450 112 H N -0.353 118.697 119.070 -0.034 0.000 2.321 112 H HA -0.118 4.437 4.556 -0.001 0.000 0.300 112 H C 2.320 177.633 175.328 -0.026 0.000 1.087 112 H CA 1.711 57.744 56.048 -0.025 0.000 1.319 112 H CB -0.727 29.023 29.762 -0.021 0.000 1.379 112 H HN 0.418 nan 8.280 nan 0.000 0.501 113 N N 0.930 119.683 118.700 0.087 0.000 2.037 113 N HA -0.151 4.589 4.740 -0.002 0.000 0.196 113 N C 1.993 177.513 175.510 0.017 0.000 1.034 113 N CA 1.292 54.362 53.050 0.033 0.000 0.861 113 N CB -0.480 38.008 38.487 0.001 0.000 1.039 113 N HN 0.255 nan 8.380 nan 0.000 0.427 114 L N -0.625 120.599 121.223 0.002 0.000 2.141 114 L HA -0.105 4.235 4.340 -0.002 0.000 0.209 114 L C 1.924 178.796 176.870 0.004 0.000 1.094 114 L CA 0.331 55.166 54.840 -0.008 0.000 0.763 114 L CB -0.317 41.725 42.059 -0.029 0.000 0.908 114 L HN 0.212 nan 8.230 nan 0.000 0.437 115 L N -0.036 121.201 121.223 0.024 0.000 2.141 115 L HA -0.068 4.271 4.340 -0.002 0.000 0.209 115 L C 2.720 179.600 176.870 0.018 0.000 1.094 115 L CA 1.725 56.583 54.840 0.029 0.000 0.763 115 L CB -1.220 40.879 42.059 0.067 0.000 0.908 115 L HN 0.149 nan 8.230 nan 0.000 0.437 116 A N -1.420 121.411 122.820 0.019 0.000 1.972 116 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 116 A C 1.993 179.578 177.584 0.002 0.000 1.169 116 A CA 1.082 53.123 52.037 0.007 0.000 0.635 116 A CB -0.301 18.704 19.000 0.008 0.000 0.810 116 A HN 0.442 nan 8.150 nan 0.000 0.446 117 Q N -0.866 118.935 119.800 0.001 0.000 2.444 117 Q HA 0.034 4.373 4.340 -0.002 0.000 0.206 117 Q C -0.326 175.672 176.000 -0.004 0.000 0.948 117 Q CA 0.415 56.217 55.803 -0.003 0.000 0.946 117 Q CB -0.038 28.697 28.738 -0.005 0.000 1.027 117 Q HN 0.733 nan 8.270 nan 0.000 0.513 118 R N -0.527 119.971 120.500 -0.002 0.000 3.322 118 R HA -0.119 4.220 4.340 -0.002 0.000 0.266 118 R C 0.106 176.403 176.300 -0.005 0.000 1.072 118 R CA 0.460 56.558 56.100 -0.003 0.000 0.715 118 R CB -2.808 27.490 30.300 -0.003 0.000 1.199 118 R HN 0.145 nan 8.270 nan 0.000 0.421 119 V N -2.568 117.341 119.914 -0.007 0.000 2.924 119 V HA 0.214 4.333 4.120 -0.002 0.000 0.305 119 V C 1.434 177.521 176.094 -0.011 0.000 1.073 119 V CA 0.284 62.577 62.300 -0.012 0.000 1.098 119 V CB 2.003 33.815 31.823 -0.018 0.000 1.000 119 V HN 0.271 nan 8.190 nan 0.000 0.484 120 S N 2.387 118.079 115.700 -0.013 0.000 2.470 120 S HA 0.394 4.863 4.470 -0.002 0.000 0.225 120 S C 0.738 175.329 174.600 -0.014 0.000 1.006 120 S CA 0.818 59.012 58.200 -0.011 0.000 0.934 120 S CB -0.039 63.155 63.200 -0.010 0.000 0.778 120 S HN 1.500 nan 8.310 nan 0.000 0.517 121 G N 0.008 108.795 108.800 -0.023 0.000 2.547 121 G HA2 0.554 4.513 3.960 -0.002 0.000 0.291 121 G HA3 0.554 4.513 3.960 -0.002 0.000 0.291 121 G C -2.085 172.785 174.900 -0.051 0.000 1.471 121 G CA -0.852 44.228 45.100 -0.033 0.000 0.798 121 G HN 0.152 nan 8.290 nan 0.000 0.504 122 L N 0.778 121.955 121.223 -0.078 0.000 2.356 122 L HA 0.567 4.906 4.340 -0.002 0.000 0.277 122 L C -0.376 176.397 176.870 -0.160 0.000 0.996 122 L CA -0.763 54.007 54.840 -0.117 0.000 0.822 122 L CB 2.032 44.006 42.059 -0.142 0.000 1.256 122 L HN 0.344 nan 8.230 nan 0.000 0.413 123 I N 4.646 125.133 120.570 -0.138 0.000 2.321 123 I HA 0.296 4.465 4.170 -0.002 0.000 0.291 123 I C -0.405 175.607 176.117 -0.175 0.000 0.998 123 I CA -0.510 60.700 61.300 -0.150 0.000 1.227 123 I CB 1.505 39.457 38.000 -0.081 0.000 1.368 123 I HN 0.348 nan 8.210 nan 0.000 0.466 124 I N 5.735 126.145 120.570 -0.267 0.000 2.337 124 I HA 0.188 4.357 4.170 -0.002 0.000 0.285 124 I C -0.042 176.051 176.117 -0.039 0.000 1.041 124 I CA -0.288 60.880 61.300 -0.220 0.000 1.199 124 I CB 0.476 38.176 38.000 -0.499 0.000 1.370 124 I HN 0.518 nan 8.210 nan 0.000 0.470 125 N N 6.839 125.553 118.700 0.024 0.000 3.105 125 N HA 0.212 4.951 4.740 -0.002 0.000 0.256 125 N C -1.552 174.041 175.510 0.139 0.000 1.174 125 N CA -0.159 52.929 53.050 0.062 0.000 1.030 125 N CB 0.118 38.616 38.487 0.019 0.000 1.305 125 N HN 0.456 nan 8.380 nan 0.000 0.509 126 Y N 2.358 122.672 120.300 0.022 0.000 2.424 126 Y HA 0.389 4.938 4.550 -0.001 0.000 0.323 126 Y C -2.767 173.174 175.900 0.069 0.000 1.174 126 Y CA -1.677 56.441 58.100 0.030 0.000 1.060 126 Y CB 2.059 40.533 38.460 0.023 0.000 1.314 126 Y HN 0.271 nan 8.280 nan 0.000 0.439 127 P HA 0.291 nan 4.420 nan 0.000 0.276 127 P C -1.268 176.012 177.300 -0.033 0.000 1.243 127 P CA 0.295 63.291 63.100 -0.173 0.000 0.768 127 P CB 1.361 32.937 31.700 -0.207 0.000 0.856 128 L N 3.132 124.399 121.223 0.072 0.000 2.438 128 L HA 0.359 4.698 4.340 -0.002 0.000 0.270 128 L C 0.259 177.140 176.870 0.018 0.000 0.972 128 L CA -0.934 53.964 54.840 0.096 0.000 0.831 128 L CB 2.025 44.179 42.059 0.158 0.000 1.273 128 L HN 0.206 nan 8.230 nan 0.000 0.405 129 D N 1.209 121.615 120.400 0.010 0.000 2.363 129 D HA 0.001 4.640 4.640 -0.002 0.000 0.240 129 D C 0.471 176.746 176.300 -0.041 0.000 1.236 129 D CA -0.216 53.773 54.000 -0.018 0.000 0.927 129 D CB 0.990 41.784 40.800 -0.009 0.000 1.150 129 D HN 0.470 nan 8.370 nan 0.000 0.458 130 D N 0.000 120.370 120.400 -0.050 0.000 2.103 130 D HA -0.208 4.431 4.640 -0.002 0.000 0.190 130 D C 2.056 178.313 176.300 -0.072 0.000 0.997 130 D CA 1.672 55.630 54.000 -0.070 0.000 0.833 130 D CB -0.231 40.536 40.800 -0.055 0.000 0.961 130 D HN 0.610 nan 8.370 nan 0.000 0.447 131 Q N 0.614 120.387 119.800 -0.044 0.000 2.084 131 Q HA -0.175 4.164 4.340 -0.002 0.000 0.202 131 Q C 1.215 177.196 176.000 -0.031 0.000 0.978 131 Q CA 1.547 57.330 55.803 -0.034 0.000 0.844 131 Q CB -0.252 28.476 28.738 -0.018 0.000 0.898 131 Q HN 0.120 nan 8.270 nan 0.000 0.426 132 D N 1.233 121.621 120.400 -0.019 0.000 2.144 132 D HA -0.084 4.556 4.640 -0.002 0.000 0.199 132 D C 1.961 178.255 176.300 -0.011 0.000 0.984 132 D CA 1.512 55.514 54.000 0.004 0.000 0.834 132 D CB -0.231 40.590 40.800 0.035 0.000 0.955 132 D HN 0.475 nan 8.370 nan 0.000 0.465 133 A N 0.647 123.416 122.820 -0.084 0.000 1.930 133 A HA -0.110 4.210 4.320 -0.002 0.000 0.217 133 A C 2.351 179.772 177.584 -0.273 0.000 1.175 133 A CA 0.749 52.636 52.037 -0.249 0.000 0.627 133 A CB -0.610 18.122 19.000 -0.448 0.000 0.815 133 A HN 0.182 nan 8.150 nan 0.000 0.443 134 I N -0.318 120.147 120.570 -0.175 0.000 2.252 134 I HA -0.258 3.911 4.170 -0.002 0.000 0.245 134 I C 2.971 179.074 176.117 -0.024 0.000 1.102 134 I CA 0.947 62.184 61.300 -0.105 0.000 1.385 134 I CB -0.336 37.619 38.000 -0.075 0.000 1.064 134 I HN 0.362 nan 8.210 nan 0.000 0.414 135 A N 0.537 123.352 122.820 -0.008 0.000 1.877 135 A HA -0.163 4.156 4.320 -0.002 0.000 0.216 135 A C 2.426 180.042 177.584 0.055 0.000 1.186 135 A CA 1.836 53.887 52.037 0.024 0.000 0.620 135 A CB -1.000 18.012 19.000 0.020 0.000 0.822 135 A HN 0.235 nan 8.150 nan 0.000 0.443 136 V N 0.103 120.066 119.914 0.083 0.000 2.343 136 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 136 V C 2.536 178.752 176.094 0.205 0.000 1.051 136 V CA 2.319 64.704 62.300 0.141 0.000 1.036 136 V CB -0.734 31.239 31.823 0.250 0.000 0.654 136 V HN 0.767 nan 8.190 nan 0.000 0.451 137 E N 0.351 120.716 120.200 0.275 0.000 2.077 137 E HA -0.242 4.107 4.350 -0.002 0.000 0.193 137 E C 2.264 178.946 176.600 0.137 0.000 0.989 137 E CA 1.376 57.938 56.400 0.270 0.000 0.800 137 E CB -0.231 29.599 29.700 0.217 0.000 0.746 137 E HN 0.555 nan 8.360 nan 0.000 0.452 138 A N 1.120 123.996 122.820 0.092 0.000 1.986 138 A HA -0.162 4.157 4.320 -0.002 0.000 0.220 138 A C 2.323 179.956 177.584 0.081 0.000 1.171 138 A CA 1.865 53.944 52.037 0.070 0.000 0.640 138 A CB -0.663 18.367 19.000 0.052 0.000 0.811 138 A HN 0.415 nan 8.150 nan 0.000 0.451 139 A N -1.480 121.397 122.820 0.095 0.000 2.066 139 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 139 A C 2.009 179.668 177.584 0.124 0.000 1.157 139 A CA 1.327 53.442 52.037 0.131 0.000 0.670 139 A CB -1.008 18.047 19.000 0.091 0.000 0.804 139 A HN 0.611 nan 8.150 nan 0.000 0.453 140 C N -0.117 119.235 119.300 0.086 0.000 2.472 140 C HA 0.117 4.576 4.460 -0.002 0.000 0.278 140 C C 2.039 177.061 174.990 0.054 0.000 1.447 140 C CA 0.705 59.761 59.018 0.062 0.000 1.773 140 C CB -1.954 25.811 27.740 0.042 0.000 1.793 140 C HN 0.864 nan 8.230 nan 0.000 0.544 141 T N 1.934 116.523 114.554 0.058 0.000 13.879 141 T HA -0.429 3.920 4.350 -0.002 0.000 0.418 141 T C 0.676 175.396 174.700 0.033 0.000 1.442 141 T CA 2.122 64.246 62.100 0.041 0.000 2.336 141 T CB -1.374 67.514 68.868 0.034 0.000 2.768 141 T HN 0.543 nan 8.240 nan 0.000 0.395 142 N N 3.089 121.804 118.700 0.024 0.000 2.461 142 N HA 0.266 5.006 4.740 -0.002 0.000 0.188 142 N C 0.624 176.143 175.510 0.016 0.000 1.134 142 N CA 0.577 53.638 53.050 0.018 0.000 0.878 142 N CB -0.214 38.280 38.487 0.013 0.000 0.972 142 N HN 1.320 nan 8.380 nan 0.000 0.456 143 V N -1.415 118.509 119.914 0.016 0.000 2.472 143 V HA 0.596 4.715 4.120 -0.002 0.000 0.290 143 V C -2.541 173.557 176.094 0.007 0.000 1.037 143 V CA -2.360 59.944 62.300 0.007 0.000 0.908 143 V CB 1.348 33.171 31.823 0.000 0.000 0.985 143 V HN -0.030 nan 8.190 nan 0.000 0.454 144 P HA 0.320 nan 4.420 nan 0.000 0.266 144 P C -0.532 176.756 177.300 -0.021 0.000 1.195 144 P CA 0.215 63.318 63.100 0.005 0.000 0.768 144 P CB 1.101 32.802 31.700 0.003 0.000 0.838 145 A N 3.452 126.266 122.820 -0.010 0.000 2.343 145 A HA 0.616 4.935 4.320 -0.002 0.000 0.316 145 A C -1.232 176.296 177.584 -0.093 0.000 1.104 145 A CA -0.674 51.295 52.037 -0.113 0.000 0.768 145 A CB 0.936 19.870 19.000 -0.110 0.000 1.213 145 A HN 0.515 nan 8.150 nan 0.000 0.456 146 L N 2.604 123.690 121.223 -0.229 0.000 2.349 146 L HA 0.786 5.125 4.340 -0.002 0.000 0.278 146 L C -1.763 174.978 176.870 -0.216 0.000 0.996 146 L CA -0.388 54.395 54.840 -0.095 0.000 0.825 146 L CB 0.820 42.850 42.059 -0.048 0.000 1.243 146 L HN 0.538 nan 8.230 nan 0.000 0.412 147 F N 5.637 125.591 119.950 0.007 0.000 2.420 147 F HA 0.420 4.946 4.527 -0.002 0.000 0.342 147 F C 0.537 176.342 175.800 0.010 0.000 1.113 147 F CA -0.503 57.506 58.000 0.015 0.000 1.059 147 F CB 1.461 40.474 39.000 0.020 0.000 1.128 147 F HN 0.313 nan 8.300 nan 0.000 0.475 148 L N 1.398 122.716 121.223 0.158 0.000 2.664 148 L HA 0.226 4.565 4.340 -0.002 0.000 0.233 148 L C 0.023 176.959 176.870 0.110 0.000 1.113 148 L CA 0.596 55.494 54.840 0.096 0.000 0.896 148 L CB -0.173 41.919 42.059 0.055 0.000 1.163 148 L HN 0.478 nan 8.230 nan 0.000 0.497 149 D N 0.615 121.098 120.400 0.138 0.000 2.468 149 D HA 0.447 5.086 4.640 -0.002 0.000 0.272 149 D C -0.989 175.365 176.300 0.090 0.000 1.221 149 D CA 0.188 54.243 54.000 0.092 0.000 0.860 149 D CB 0.706 41.529 40.800 0.039 0.000 1.190 149 D HN -0.103 nan 8.370 nan 0.000 0.509 150 V N -0.955 119.001 119.914 0.070 0.000 3.232 150 V HA 0.667 4.786 4.120 -0.002 0.000 0.303 150 V C 0.095 176.189 176.094 -0.001 0.000 1.311 150 V CA -1.050 61.262 62.300 0.020 0.000 1.061 150 V CB 1.386 33.202 31.823 -0.011 0.000 1.085 150 V HN 0.155 nan 8.190 nan 0.000 0.447 151 S N 0.719 116.397 115.700 -0.036 0.000 2.576 151 S HA 0.153 4.622 4.470 -0.002 0.000 0.276 151 S C 0.895 175.499 174.600 0.006 0.000 1.339 151 S CA 0.378 58.554 58.200 -0.039 0.000 1.039 151 S CB 0.599 63.763 63.200 -0.060 0.000 0.902 151 S HN 1.121 nan 8.310 nan 0.000 0.516 152 D N 2.730 123.168 120.400 0.063 0.000 2.363 152 D HA -0.071 4.568 4.640 -0.002 0.000 0.226 152 D C 1.048 177.373 176.300 0.041 0.000 1.020 152 D CA 0.452 54.494 54.000 0.071 0.000 0.892 152 D CB -0.010 40.863 40.800 0.121 0.000 0.900 152 D HN 0.553 nan 8.370 nan 0.000 0.531 153 Q N 0.526 120.341 119.800 0.024 0.000 2.331 153 Q HA 0.023 4.362 4.340 -0.002 0.000 0.203 153 Q C 0.442 176.431 176.000 -0.018 0.000 0.944 153 Q CA 0.508 56.315 55.803 0.007 0.000 0.892 153 Q CB -0.070 28.670 28.738 0.003 0.000 0.983 153 Q HN 0.266 nan 8.270 nan 0.000 0.482 154 T N 4.477 119.008 114.554 -0.039 0.000 2.888 154 T HA 0.115 4.465 4.350 -0.002 0.000 0.301 154 T C -2.185 172.474 174.700 -0.069 0.000 1.001 154 T CA -0.922 61.135 62.100 -0.072 0.000 1.147 154 T CB 0.959 69.753 68.868 -0.123 0.000 0.931 154 T HN 0.081 nan 8.240 nan 0.000 0.541 155 P HA 0.264 nan 4.420 nan 0.000 0.230 155 P C -0.388 176.879 177.300 -0.055 0.000 1.791 155 P CA -0.104 62.969 63.100 -0.044 0.000 1.020 155 P CB -0.681 31.000 31.700 -0.031 0.000 1.977 156 I N -2.079 118.451 120.570 -0.068 0.000 3.322 156 I HA 0.528 4.697 4.170 -0.002 0.000 0.313 156 I C -0.513 175.625 176.117 0.034 0.000 1.129 156 I CA -1.657 59.616 61.300 -0.045 0.000 0.963 156 I CB 1.465 39.334 38.000 -0.217 0.000 1.273 156 I HN -0.261 nan 8.210 nan 0.000 0.473 157 N N 2.792 121.567 118.700 0.124 0.000 2.420 157 N HA 0.308 5.047 4.740 -0.002 0.000 0.262 157 N C -0.722 174.911 175.510 0.205 0.000 1.144 157 N CA -0.023 53.111 53.050 0.138 0.000 0.952 157 N CB 0.938 39.501 38.487 0.126 0.000 1.081 157 N HN 0.757 nan 8.380 nan 0.000 0.480 158 S N 1.223 116.995 115.700 0.120 0.000 2.541 158 S HA 0.693 5.162 4.470 -0.002 0.000 0.271 158 S C -0.681 173.947 174.600 0.047 0.000 1.133 158 S CA -0.934 57.337 58.200 0.118 0.000 0.876 158 S CB 1.346 64.608 63.200 0.103 0.000 1.105 158 S HN 0.359 nan 8.310 nan 0.000 0.470 159 I N 1.993 122.577 120.570 0.022 0.000 2.447 159 I HA 0.568 4.737 4.170 -0.002 0.000 0.287 159 I C -1.355 174.712 176.117 -0.084 0.000 1.023 159 I CA -0.658 60.612 61.300 -0.051 0.000 1.083 159 I CB 1.675 39.625 38.000 -0.084 0.000 1.245 159 I HN 0.594 nan 8.210 nan 0.000 0.434 160 I N 5.460 125.963 120.570 -0.111 0.000 2.722 160 I HA 0.369 4.538 4.170 -0.002 0.000 0.295 160 I C -0.694 175.355 176.117 -0.113 0.000 1.161 160 I CA -0.173 61.093 61.300 -0.057 0.000 1.032 160 I CB 2.160 40.202 38.000 0.070 0.000 1.244 160 I HN 0.194 nan 8.210 nan 0.000 0.421 161 F N 2.929 122.937 119.950 0.096 0.000 2.459 161 F HA 0.211 4.737 4.527 -0.001 0.000 0.346 161 F C 1.252 177.097 175.800 0.076 0.000 1.128 161 F CA 0.143 58.187 58.000 0.073 0.000 1.268 161 F CB 0.863 39.916 39.000 0.088 0.000 1.161 161 F HN 0.309 nan 8.300 nan 0.000 0.583 162 S N 2.120 117.936 115.700 0.193 0.000 2.507 162 S HA -0.026 4.443 4.470 -0.002 0.000 0.299 162 S C 1.075 175.705 174.600 0.050 0.000 1.214 162 S CA -0.437 57.774 58.200 0.018 0.000 1.137 162 S CB -0.480 62.704 63.200 -0.026 0.000 1.009 162 S HN 0.688 nan 8.310 nan 0.000 0.512 163 H N 3.194 122.351 119.070 0.144 0.000 2.428 163 H HA 0.170 4.725 4.556 -0.002 0.000 0.296 163 H C 1.694 177.100 175.328 0.130 0.000 1.062 163 H CA 1.007 57.131 56.048 0.126 0.000 1.350 163 H CB -0.054 29.734 29.762 0.044 0.000 1.403 163 H HN 0.533 nan 8.280 nan 0.000 0.533 164 E N 1.214 121.264 120.200 -0.250 0.000 2.058 164 E HA -0.160 4.190 4.350 -0.002 0.000 0.194 164 E C 1.566 178.157 176.600 -0.015 0.000 0.997 164 E CA 1.316 57.747 56.400 0.051 0.000 0.801 164 E CB -0.193 29.508 29.700 0.002 0.000 0.746 164 E HN 0.626 nan 8.360 nan 0.000 0.450 165 D N -0.038 120.324 120.400 -0.064 0.000 2.117 165 D HA -0.088 4.551 4.640 -0.002 0.000 0.198 165 D C 1.996 178.256 176.300 -0.067 0.000 0.982 165 D CA 1.395 55.342 54.000 -0.088 0.000 0.828 165 D CB -0.598 40.167 40.800 -0.058 0.000 0.967 165 D HN 0.285 nan 8.370 nan 0.000 0.464 166 G N 0.456 109.272 108.800 0.026 0.000 2.418 166 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.217 166 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.217 166 G C 1.745 176.750 174.900 0.174 0.000 1.158 166 G CA 1.964 47.089 45.100 0.043 0.000 0.771 166 G HN 0.420 nan 8.290 nan 0.000 0.545 167 T N -1.030 113.663 114.554 0.232 0.000 2.812 167 T HA -0.029 4.320 4.350 -0.002 0.000 0.264 167 T C 2.241 177.057 174.700 0.193 0.000 1.042 167 T CA 1.198 63.486 62.100 0.314 0.000 1.140 167 T CB -0.227 68.769 68.868 0.214 0.000 0.870 167 T HN 0.303 nan 8.240 nan 0.000 0.445 168 R N 0.840 121.187 120.500 -0.254 0.000 2.083 168 R HA 0.001 4.340 4.340 -0.002 0.000 0.237 168 R C 2.573 178.762 176.300 -0.184 0.000 1.137 168 R CA 1.428 57.144 56.100 -0.642 0.000 0.951 168 R CB -0.651 28.993 30.300 -1.093 0.000 0.851 168 R HN 0.440 nan 8.270 nan 0.000 0.434 169 L N -0.188 120.967 121.223 -0.112 0.000 2.043 169 L HA -0.165 4.174 4.340 -0.002 0.000 0.212 169 L C 2.586 179.480 176.870 0.040 0.000 1.075 169 L CA 1.631 56.444 54.840 -0.045 0.000 0.752 169 L CB -0.768 41.242 42.059 -0.080 0.000 0.891 169 L HN 0.495 nan 8.230 nan 0.000 0.432 170 G N -0.708 108.153 108.800 0.103 0.000 2.433 170 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.216 170 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.216 170 G C 1.579 176.567 174.900 0.146 0.000 1.186 170 G CA 0.899 46.096 45.100 0.162 0.000 0.779 170 G HN 0.175 nan 8.290 nan 0.000 0.543 171 V N 0.918 120.930 119.914 0.163 0.000 2.255 171 V HA -0.213 3.906 4.120 -0.002 0.000 0.247 171 V C 2.723 178.881 176.094 0.106 0.000 1.051 171 V CA 2.379 64.757 62.300 0.131 0.000 1.018 171 V CB -0.647 31.304 31.823 0.215 0.000 0.641 171 V HN 0.472 nan 8.190 nan 0.000 0.445 172 E N -1.003 119.252 120.200 0.092 0.000 2.118 172 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 172 E C 2.187 178.845 176.600 0.097 0.000 0.992 172 E CA 1.373 57.819 56.400 0.076 0.000 0.804 172 E CB -0.302 29.422 29.700 0.040 0.000 0.741 172 E HN 0.730 nan 8.360 nan 0.000 0.458 173 H N 0.979 120.061 119.070 0.021 0.000 2.290 173 H HA -0.120 4.435 4.556 -0.001 0.000 0.298 173 H C 2.242 177.603 175.328 0.055 0.000 1.087 173 H CA 1.347 57.410 56.048 0.024 0.000 1.291 173 H CB 0.019 29.787 29.762 0.010 0.000 1.369 173 H HN 0.114 nan 8.280 nan 0.000 0.492 174 L N 0.121 121.343 121.223 -0.002 0.000 2.027 174 L HA -0.161 4.178 4.340 -0.002 0.000 0.206 174 L C 2.935 179.855 176.870 0.083 0.000 1.074 174 L CA 0.806 55.662 54.840 0.028 0.000 0.745 174 L CB -0.380 41.678 42.059 -0.002 0.000 0.898 174 L HN 0.125 nan 8.230 nan 0.000 0.433 175 V N 0.314 120.260 119.914 0.054 0.000 2.332 175 V HA -0.333 3.787 4.120 -0.002 0.000 0.248 175 V C 2.766 178.859 176.094 -0.002 0.000 1.055 175 V CA 1.945 64.269 62.300 0.040 0.000 1.038 175 V CB -0.905 30.949 31.823 0.051 0.000 0.651 175 V HN 0.503 nan 8.190 nan 0.000 0.450 176 A N -0.650 122.160 122.820 -0.016 0.000 1.972 176 A HA -0.122 4.197 4.320 -0.002 0.000 0.219 176 A C 2.162 179.701 177.584 -0.075 0.000 1.169 176 A CA 1.533 53.550 52.037 -0.034 0.000 0.635 176 A CB -0.491 18.498 19.000 -0.018 0.000 0.810 176 A HN 0.524 nan 8.150 nan 0.000 0.446 177 L N -1.697 119.454 121.223 -0.119 0.000 2.376 177 L HA 0.062 4.401 4.340 -0.002 0.000 0.219 177 L C 1.735 178.472 176.870 -0.221 0.000 1.133 177 L CA 0.806 55.552 54.840 -0.158 0.000 0.816 177 L CB -0.139 41.826 42.059 -0.156 0.000 0.933 177 L HN 0.630 nan 8.230 nan 0.000 0.449 178 G N -1.478 107.207 108.800 -0.191 0.000 2.159 178 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.170 178 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.170 178 G C -0.096 174.660 174.900 -0.240 0.000 1.007 178 G CA -0.575 44.405 45.100 -0.199 0.000 0.672 178 G HN 0.426 nan 8.290 nan 0.000 0.507 179 H N 0.527 119.568 119.070 -0.049 0.000 2.683 179 H HA 0.522 5.077 4.556 -0.002 0.000 0.339 179 H C 1.188 176.500 175.328 -0.027 0.000 1.081 179 H CA 0.505 56.529 56.048 -0.041 0.000 1.432 179 H CB 1.074 30.806 29.762 -0.051 0.000 1.462 179 H HN 0.127 nan 8.280 nan 0.000 0.557 180 Q N 1.248 121.106 119.800 0.097 0.000 2.210 180 Q HA 0.062 4.401 4.340 -0.002 0.000 0.252 180 Q C -0.314 175.714 176.000 0.047 0.000 0.811 180 Q CA 0.156 55.992 55.803 0.056 0.000 0.953 180 Q CB 1.141 29.895 28.738 0.026 0.000 1.136 180 Q HN 0.659 nan 8.270 nan 0.000 0.491 181 Q N 1.226 121.060 119.800 0.057 0.000 2.509 181 Q HA 0.470 4.810 4.340 -0.002 0.000 0.236 181 Q C -0.403 175.598 176.000 0.001 0.000 1.073 181 Q CA 0.104 55.923 55.803 0.027 0.000 0.867 181 Q CB 0.928 29.683 28.738 0.028 0.000 1.181 181 Q HN 0.240 nan 8.270 nan 0.000 0.526 182 I N 0.958 121.514 120.570 -0.024 0.000 2.465 182 I HA 0.618 4.787 4.170 -0.002 0.000 0.291 182 I C -0.285 175.778 176.117 -0.090 0.000 1.014 182 I CA -1.078 60.174 61.300 -0.079 0.000 1.093 182 I CB 2.042 39.990 38.000 -0.087 0.000 1.267 182 I HN 0.353 nan 8.210 nan 0.000 0.431 183 A N 7.318 130.063 122.820 -0.126 0.000 2.325 183 A HA 0.856 5.175 4.320 -0.002 0.000 0.333 183 A C -0.759 176.701 177.584 -0.206 0.000 1.155 183 A CA -0.537 51.426 52.037 -0.124 0.000 0.814 183 A CB 0.920 19.858 19.000 -0.102 0.000 1.206 183 A HN 0.695 nan 8.150 nan 0.000 0.482 184 L N 2.075 123.188 121.223 -0.184 0.000 2.307 184 L HA 0.472 4.811 4.340 -0.002 0.000 0.284 184 L C -0.888 175.903 176.870 -0.131 0.000 1.023 184 L CA -0.768 53.909 54.840 -0.272 0.000 0.810 184 L CB 1.568 43.532 42.059 -0.158 0.000 1.231 184 L HN 0.599 nan 8.230 nan 0.000 0.423 185 L N 3.936 125.084 121.223 -0.125 0.000 2.337 185 L HA 0.644 4.983 4.340 -0.002 0.000 0.269 185 L C 0.168 177.113 176.870 0.124 0.000 1.018 185 L CA -0.263 54.572 54.840 -0.008 0.000 0.876 185 L CB 0.923 42.969 42.059 -0.022 0.000 1.236 185 L HN 0.654 nan 8.230 nan 0.000 0.436 186 A N 3.209 126.090 122.820 0.102 0.000 2.351 186 A HA 0.705 5.024 4.320 -0.002 0.000 0.257 186 A C 0.711 178.172 177.584 -0.205 0.000 1.087 186 A CA 0.101 52.170 52.037 0.053 0.000 0.798 186 A CB 0.148 19.152 19.000 0.007 0.000 1.033 186 A HN 0.854 nan 8.150 nan 0.000 0.488 187 G N 0.294 108.815 108.800 -0.465 0.000 2.634 187 G HA2 0.482 4.441 3.960 -0.002 0.000 0.255 187 G HA3 0.482 4.441 3.960 -0.002 0.000 0.255 187 G C -2.506 171.937 174.900 -0.763 0.000 1.205 187 G CA -1.128 43.279 45.100 -1.155 0.000 0.884 187 G HN 0.593 nan 8.290 nan 0.000 0.549 188 P HA 0.046 nan 4.420 nan 0.000 0.267 188 P C 0.610 177.741 177.300 -0.281 0.000 1.209 188 P CA 0.067 62.914 63.100 -0.420 0.000 0.763 188 P CB 0.880 32.366 31.700 -0.357 0.000 0.816 189 L N 2.449 123.567 121.223 -0.175 0.000 2.627 189 L HA -0.058 4.281 4.340 -0.002 0.000 0.233 189 L C 2.108 178.932 176.870 -0.077 0.000 1.144 189 L CA 0.610 55.377 54.840 -0.121 0.000 0.892 189 L CB -0.577 41.430 42.059 -0.086 0.000 1.039 189 L HN 0.406 nan 8.230 nan 0.000 0.442 190 S N -2.357 113.302 115.700 -0.069 0.000 2.489 190 S HA -0.054 4.415 4.470 -0.002 0.000 0.228 190 S C 1.115 175.702 174.600 -0.022 0.000 0.995 190 S CA -0.002 58.177 58.200 -0.034 0.000 0.934 190 S CB -0.070 63.118 63.200 -0.020 0.000 0.771 190 S HN 0.311 nan 8.310 nan 0.000 0.522 191 S N 0.688 116.378 115.700 -0.017 0.000 2.499 191 S HA 0.381 4.850 4.470 -0.002 0.000 0.279 191 S C 0.938 175.542 174.600 0.007 0.000 1.219 191 S CA -0.519 57.700 58.200 0.031 0.000 1.062 191 S CB 1.453 64.775 63.200 0.202 0.000 0.978 191 S HN 0.224 nan 8.310 nan 0.000 0.489 192 V N 5.289 125.198 119.914 -0.008 0.000 2.407 192 V HA -0.089 4.030 4.120 -0.002 0.000 0.248 192 V C 2.151 178.214 176.094 -0.052 0.000 1.055 192 V CA 2.715 64.992 62.300 -0.038 0.000 1.049 192 V CB -0.816 30.984 31.823 -0.039 0.000 0.662 192 V HN 0.987 nan 8.190 nan 0.000 0.455 193 S N 0.336 116.035 115.700 -0.002 0.000 2.368 193 S HA -0.118 4.351 4.470 -0.002 0.000 0.225 193 S C 2.187 176.779 174.600 -0.014 0.000 1.030 193 S CA 1.418 59.617 58.200 -0.002 0.000 0.999 193 S CB -0.621 62.608 63.200 0.047 0.000 0.844 193 S HN 0.844 nan 8.310 nan 0.000 0.459 194 A N 2.104 124.976 122.820 0.087 0.000 1.917 194 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 194 A C 2.163 179.639 177.584 -0.181 0.000 1.182 194 A CA 1.488 53.476 52.037 -0.083 0.000 0.633 194 A CB -0.506 18.362 19.000 -0.220 0.000 0.819 194 A HN 0.422 nan 8.150 nan 0.000 0.448 195 R N -0.840 119.581 120.500 -0.131 0.000 2.092 195 R HA 0.018 4.358 4.340 -0.002 0.000 0.231 195 R C 2.044 178.245 176.300 -0.165 0.000 1.119 195 R CA 1.257 57.282 56.100 -0.126 0.000 0.970 195 R CB -0.457 29.791 30.300 -0.087 0.000 0.864 195 R HN 0.519 nan 8.270 nan 0.000 0.440 196 L N 0.067 121.163 121.223 -0.212 0.000 2.093 196 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 196 L C 2.566 179.271 176.870 -0.275 0.000 1.085 196 L CA 1.297 55.959 54.840 -0.297 0.000 0.755 196 L CB -0.264 41.499 42.059 -0.493 0.000 0.904 196 L HN 0.128 nan 8.230 nan 0.000 0.435 197 R N -0.529 119.740 120.500 -0.386 0.000 2.062 197 R HA -0.147 4.192 4.340 -0.002 0.000 0.229 197 R C 2.204 177.993 176.300 -0.852 0.000 1.128 197 R CA 1.084 56.753 56.100 -0.718 0.000 0.960 197 R CB -0.511 29.194 30.300 -0.993 0.000 0.855 197 R HN 0.140 nan 8.270 nan 0.000 0.432 198 L N 1.015 121.909 121.223 -0.549 0.000 2.012 198 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 198 L C 2.258 179.027 176.870 -0.168 0.000 1.073 198 L CA 2.089 56.767 54.840 -0.270 0.000 0.748 198 L CB -0.764 41.220 42.059 -0.126 0.000 0.891 198 L HN 0.160 nan 8.230 nan 0.000 0.431 199 A N -0.723 122.048 122.820 -0.081 0.000 1.908 199 A HA -0.098 4.221 4.320 -0.002 0.000 0.218 199 A C 2.340 179.963 177.584 0.065 0.000 1.181 199 A CA 1.639 53.705 52.037 0.048 0.000 0.627 199 A CB -1.569 17.439 19.000 0.013 0.000 0.818 199 A HN 0.548 nan 8.150 nan 0.000 0.445 200 G N -1.541 107.273 108.800 0.024 0.000 2.418 200 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.217 200 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.217 200 G C 1.357 176.452 174.900 0.324 0.000 1.158 200 G CA 0.897 46.104 45.100 0.179 0.000 0.771 200 G HN 0.559 nan 8.290 nan 0.000 0.545 201 W N 0.796 122.170 121.300 0.123 0.000 2.355 201 W HA 0.008 4.668 4.660 -0.001 0.000 0.309 201 W C 2.429 178.991 176.519 0.073 0.000 1.206 201 W CA 1.017 58.409 57.345 0.078 0.000 1.284 201 W CB -1.324 28.102 29.460 -0.057 0.000 1.145 201 W HN 0.471 nan 8.180 nan 0.000 0.502 202 H N -0.354 118.884 119.070 0.280 0.000 2.321 202 H HA -0.164 4.390 4.556 -0.002 0.000 0.300 202 H C 2.223 177.590 175.328 0.065 0.000 1.087 202 H CA 2.033 58.167 56.048 0.143 0.000 1.319 202 H CB -0.121 29.694 29.762 0.088 0.000 1.379 202 H HN -0.013 nan 8.280 nan 0.000 0.501 203 K N 0.498 120.969 120.400 0.118 0.000 2.001 203 K HA -0.237 4.082 4.320 -0.002 0.000 0.214 203 K C 1.507 178.001 176.600 -0.176 0.000 1.050 203 K CA 1.935 58.141 56.287 -0.134 0.000 0.934 203 K CB -0.179 32.092 32.500 -0.382 0.000 0.718 203 K HN 0.279 nan 8.250 nan 0.000 0.443 204 Y N 0.589 120.985 120.300 0.159 0.000 2.395 204 Y HA 0.004 4.553 4.550 -0.002 0.000 0.293 204 Y C 1.968 177.944 175.900 0.126 0.000 1.123 204 Y CA 0.604 58.785 58.100 0.137 0.000 1.227 204 Y CB -0.048 38.502 38.460 0.150 0.000 1.012 204 Y HN 0.017 nan 8.280 nan 0.000 0.552 205 L N -0.912 120.461 121.223 0.249 0.000 2.046 205 L HA -0.229 4.110 4.340 -0.002 0.000 0.208 205 L C 2.258 179.203 176.870 0.126 0.000 1.077 205 L CA 1.697 56.642 54.840 0.175 0.000 0.747 205 L CB -0.768 41.392 42.059 0.167 0.000 0.896 205 L HN 0.181 nan 8.230 nan 0.000 0.432 206 T N -0.812 113.807 114.554 0.108 0.000 2.788 206 T HA -0.121 4.228 4.350 -0.002 0.000 0.268 206 T C 1.973 176.704 174.700 0.052 0.000 1.044 206 T CA 0.865 63.003 62.100 0.062 0.000 1.139 206 T CB -0.106 68.782 68.868 0.034 0.000 0.867 206 T HN 0.238 nan 8.240 nan 0.000 0.454 207 R N 1.822 122.357 120.500 0.059 0.000 2.152 207 R HA 0.061 4.400 4.340 -0.002 0.000 0.232 207 R C 1.299 177.649 176.300 0.082 0.000 1.117 207 R CA 0.777 56.917 56.100 0.067 0.000 0.981 207 R CB -0.500 29.863 30.300 0.106 0.000 0.870 207 R HN 0.429 nan 8.270 nan 0.000 0.451 208 N N 1.402 120.161 118.700 0.099 0.000 2.276 208 N HA -0.010 4.729 4.740 -0.002 0.000 0.212 208 N C -0.346 175.201 175.510 0.062 0.000 1.127 208 N CA 0.011 53.112 53.050 0.084 0.000 0.834 208 N CB 0.502 39.049 38.487 0.101 0.000 1.014 208 N HN 0.130 nan 8.380 nan 0.000 0.491 209 Q N 0.117 119.949 119.800 0.054 0.000 2.468 209 Q HA -0.134 4.205 4.340 -0.002 0.000 0.289 209 Q C -1.055 174.969 176.000 0.040 0.000 1.299 209 Q CA 0.704 56.531 55.803 0.040 0.000 0.838 209 Q CB -1.241 27.516 28.738 0.031 0.000 1.195 209 Q HN 0.446 nan 8.270 nan 0.000 0.456 210 I N 0.569 121.170 120.570 0.052 0.000 2.582 210 I HA 0.269 4.439 4.170 -0.002 0.000 0.292 210 I C 0.026 176.178 176.117 0.059 0.000 1.066 210 I CA -0.766 60.564 61.300 0.051 0.000 1.053 210 I CB 1.959 39.993 38.000 0.057 0.000 1.241 210 I HN 0.053 nan 8.210 nan 0.000 0.421 211 Q N 6.591 126.420 119.800 0.047 0.000 2.256 211 Q HA 0.428 4.767 4.340 -0.002 0.000 0.257 211 Q C -2.388 173.644 176.000 0.053 0.000 0.936 211 Q CA -1.874 53.961 55.803 0.054 0.000 0.903 211 Q CB 1.475 30.231 28.738 0.030 0.000 1.263 211 Q HN 0.302 nan 8.270 nan 0.000 0.440 212 P HA 0.022 nan 4.420 nan 0.000 0.271 212 P C 0.384 177.701 177.300 0.027 0.000 1.216 212 P CA 0.059 63.185 63.100 0.043 0.000 0.771 212 P CB 0.634 32.370 31.700 0.060 0.000 0.864 213 I N -0.330 120.242 120.570 0.005 0.000 2.830 213 I HA 0.269 4.438 4.170 -0.002 0.000 0.263 213 I C 0.551 176.666 176.117 -0.004 0.000 1.230 213 I CA 0.436 61.736 61.300 0.000 0.000 1.480 213 I CB -0.063 37.934 38.000 -0.007 0.000 1.095 213 I HN 0.241 nan 8.210 nan 0.000 0.455 214 A N 0.804 123.620 122.820 -0.008 0.000 2.604 214 A HA 0.712 5.031 4.320 -0.002 0.000 0.295 214 A C -1.143 176.439 177.584 -0.005 0.000 1.067 214 A CA -0.503 51.529 52.037 -0.009 0.000 0.683 214 A CB 1.429 20.413 19.000 -0.027 0.000 1.281 214 A HN 0.298 nan 8.150 nan 0.000 0.407 215 E N 0.896 121.101 120.200 0.009 0.000 2.317 215 E HA 0.525 4.874 4.350 -0.002 0.000 0.270 215 E C -1.093 175.513 176.600 0.010 0.000 0.899 215 E CA -0.620 55.795 56.400 0.025 0.000 0.814 215 E CB 0.898 30.652 29.700 0.089 0.000 1.296 215 E HN 0.573 nan 8.360 nan 0.000 0.404 216 R N 2.000 122.495 120.500 -0.008 0.000 2.888 216 R HA 0.502 4.841 4.340 -0.002 0.000 0.266 216 R C -0.955 175.328 176.300 -0.028 0.000 1.020 216 R CA -0.828 55.259 56.100 -0.022 0.000 0.963 216 R CB 1.602 31.881 30.300 -0.036 0.000 1.197 216 R HN 0.622 nan 8.270 nan 0.000 0.481 217 E N -0.048 120.122 120.200 -0.049 0.000 2.241 217 E HA 0.513 4.862 4.350 -0.002 0.000 0.263 217 E C -0.640 175.897 176.600 -0.104 0.000 0.882 217 E CA -0.544 55.805 56.400 -0.086 0.000 0.769 217 E CB 1.615 31.265 29.700 -0.085 0.000 1.185 217 E HN 0.720 nan 8.360 nan 0.000 0.415 218 G N 2.108 110.820 108.800 -0.147 0.000 2.606 218 G HA2 0.249 4.209 3.960 -0.002 0.000 0.262 218 G HA3 0.249 4.209 3.960 -0.002 0.000 0.262 218 G C -0.129 174.635 174.900 -0.227 0.000 1.394 218 G CA -0.141 44.875 45.100 -0.141 0.000 1.044 218 G HN 0.693 nan 8.290 nan 0.000 0.553 219 D N -3.694 116.601 120.400 -0.175 0.000 2.620 219 D HA 0.093 4.732 4.640 -0.002 0.000 0.260 219 D C 0.341 176.612 176.300 -0.049 0.000 1.367 219 D CA -0.821 53.065 54.000 -0.190 0.000 0.805 219 D CB -0.556 40.212 40.800 -0.054 0.000 1.096 219 D HN 0.683 nan 8.370 nan 0.000 0.488 220 W N 0.019 121.313 121.300 -0.011 0.000 1.277 220 W HA -0.298 4.362 4.660 -0.001 0.000 0.236 220 W C 0.516 177.017 176.519 -0.030 0.000 0.973 220 W CA 0.477 57.810 57.345 -0.020 0.000 0.390 220 W CB -1.909 27.526 29.460 -0.041 0.000 1.977 220 W HN 0.229 nan 8.180 nan 0.000 1.223 221 S N 0.729 116.532 115.700 0.171 0.000 2.610 221 S HA 0.757 5.226 4.470 -0.002 0.000 0.273 221 S C 1.069 175.717 174.600 0.079 0.000 1.274 221 S CA -0.205 58.050 58.200 0.091 0.000 1.023 221 S CB 1.939 65.178 63.200 0.066 0.000 0.962 221 S HN 0.593 nan 8.310 nan 0.000 0.523 222 A N 2.950 125.802 122.820 0.053 0.000 1.908 222 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 222 A C 2.132 179.763 177.584 0.079 0.000 1.181 222 A CA 1.813 53.883 52.037 0.055 0.000 0.627 222 A CB -0.970 18.042 19.000 0.020 0.000 0.818 222 A HN 1.011 nan 8.150 nan 0.000 0.445 223 M N 0.754 120.392 119.600 0.063 0.000 2.108 223 M HA -0.196 4.283 4.480 -0.002 0.000 0.261 223 M C 2.294 178.674 176.300 0.133 0.000 1.066 223 M CA 2.509 57.862 55.300 0.089 0.000 1.107 223 M CB -0.309 32.320 32.600 0.047 0.000 1.356 223 M HN 0.571 nan 8.290 nan 0.000 0.406 224 S N -0.303 115.448 115.700 0.084 0.000 2.382 224 S HA -0.061 4.408 4.470 -0.002 0.000 0.228 224 S C 2.028 176.663 174.600 0.057 0.000 1.027 224 S CA 1.155 59.389 58.200 0.057 0.000 0.991 224 S CB -1.527 61.684 63.200 0.018 0.000 0.823 224 S HN 0.654 nan 8.310 nan 0.000 0.469 225 G N 0.667 109.514 108.800 0.078 0.000 2.418 225 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.217 225 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.217 225 G C 1.198 176.141 174.900 0.072 0.000 1.158 225 G CA 0.775 45.915 45.100 0.067 0.000 0.771 225 G HN 0.543 nan 8.290 nan 0.000 0.545 226 F N 1.144 121.086 119.950 -0.013 0.000 2.102 226 F HA -0.061 4.466 4.527 -0.001 0.000 0.298 226 F C 2.878 178.669 175.800 -0.015 0.000 1.105 226 F CA 1.807 59.796 58.000 -0.017 0.000 1.239 226 F CB -0.007 38.982 39.000 -0.019 0.000 0.991 226 F HN 0.057 nan 8.300 nan 0.000 0.474 227 Q N 0.220 120.050 119.800 0.049 0.000 2.079 227 Q HA -0.174 4.165 4.340 -0.002 0.000 0.200 227 Q C 2.216 178.147 176.000 -0.116 0.000 0.974 227 Q CA 1.343 57.123 55.803 -0.038 0.000 0.840 227 Q CB -0.665 28.115 28.738 0.070 0.000 0.898 227 Q HN 0.512 nan 8.270 nan 0.000 0.430 228 Q N -0.271 119.484 119.800 -0.076 0.000 2.079 228 Q HA -0.059 4.280 4.340 -0.002 0.000 0.200 228 Q C 2.068 178.002 176.000 -0.111 0.000 0.974 228 Q CA 1.493 57.250 55.803 -0.077 0.000 0.840 228 Q CB -0.443 28.265 28.738 -0.051 0.000 0.898 228 Q HN 0.394 nan 8.270 nan 0.000 0.430 229 T N 1.222 115.691 114.554 -0.142 0.000 2.770 229 T HA -0.119 4.230 4.350 -0.002 0.000 0.263 229 T C 1.842 176.416 174.700 -0.210 0.000 1.039 229 T CA 1.277 63.285 62.100 -0.154 0.000 1.142 229 T CB -0.186 68.600 68.868 -0.137 0.000 0.868 229 T HN 0.076 nan 8.240 nan 0.000 0.435 230 M N 1.604 120.989 119.600 -0.357 0.000 2.149 230 M HA -0.116 4.363 4.480 -0.002 0.000 0.261 230 M C 2.204 178.383 176.300 -0.200 0.000 1.064 230 M CA 1.599 56.682 55.300 -0.361 0.000 1.102 230 M CB -0.548 31.678 32.600 -0.624 0.000 1.369 230 M HN 0.111 nan 8.290 nan 0.000 0.408 231 Q N -0.327 119.374 119.800 -0.164 0.000 2.079 231 Q HA -0.156 4.183 4.340 -0.002 0.000 0.200 231 Q C 2.166 178.118 176.000 -0.081 0.000 0.974 231 Q CA 2.313 58.056 55.803 -0.100 0.000 0.840 231 Q CB -0.561 28.131 28.738 -0.076 0.000 0.898 231 Q HN 0.660 nan 8.270 nan 0.000 0.430 232 M N -0.691 118.858 119.600 -0.085 0.000 2.080 232 M HA -0.176 4.303 4.480 -0.002 0.000 0.260 232 M C 1.655 177.917 176.300 -0.064 0.000 1.068 232 M CA 1.588 56.847 55.300 -0.068 0.000 1.109 232 M CB -0.080 32.478 32.600 -0.070 0.000 1.342 232 M HN 0.377 nan 8.290 nan 0.000 0.405 233 L N 0.181 121.357 121.223 -0.079 0.000 2.093 233 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 233 L C 1.913 178.750 176.870 -0.055 0.000 1.085 233 L CA 0.823 55.623 54.840 -0.067 0.000 0.755 233 L CB -0.843 41.168 42.059 -0.079 0.000 0.904 233 L HN 0.362 nan 8.230 nan 0.000 0.435 234 N N 0.177 118.840 118.700 -0.062 0.000 2.512 234 N HA -0.126 4.613 4.740 -0.002 0.000 0.183 234 N C 1.252 176.741 175.510 -0.036 0.000 1.073 234 N CA 0.774 53.795 53.050 -0.047 0.000 0.911 234 N CB 0.023 38.479 38.487 -0.051 0.000 0.964 234 N HN 0.451 nan 8.380 nan 0.000 0.447 235 E N -0.372 119.806 120.200 -0.037 0.000 2.502 235 E HA 0.138 4.487 4.350 -0.002 0.000 0.194 235 E C 0.787 177.373 176.600 -0.025 0.000 1.062 235 E CA 0.079 56.462 56.400 -0.029 0.000 0.867 235 E CB 0.043 29.726 29.700 -0.029 0.000 0.888 235 E HN 0.283 nan 8.360 nan 0.000 0.510 236 G N 1.775 110.559 108.800 -0.027 0.000 2.160 236 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.251 236 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.251 236 G C 0.165 175.052 174.900 -0.022 0.000 1.008 236 G CA -0.034 45.053 45.100 -0.022 0.000 0.724 236 G HN 0.272 nan 8.290 nan 0.000 0.514 237 I N 0.885 121.439 120.570 -0.027 0.000 2.301 237 I HA 0.388 4.557 4.170 -0.002 0.000 0.292 237 I C 0.133 176.231 176.117 -0.031 0.000 1.046 237 I CA -0.665 60.619 61.300 -0.026 0.000 1.282 237 I CB 1.535 39.518 38.000 -0.028 0.000 1.409 237 I HN -0.115 nan 8.210 nan 0.000 0.484 238 V N 8.601 128.500 119.914 -0.025 0.000 2.340 238 V HA 0.305 4.424 4.120 -0.002 0.000 0.277 238 V C -1.856 174.227 176.094 -0.020 0.000 1.017 238 V CA -1.294 60.991 62.300 -0.025 0.000 0.820 238 V CB 0.999 32.812 31.823 -0.018 0.000 1.028 238 V HN 0.604 nan 8.190 nan 0.000 0.436 239 P HA 0.251 nan 4.420 nan 0.000 0.276 239 P C 0.825 178.117 177.300 -0.013 0.000 1.261 239 P CA -0.162 62.922 63.100 -0.027 0.000 0.800 239 P CB 1.149 32.815 31.700 -0.057 0.000 1.066 240 T N -3.174 111.392 114.554 0.020 0.000 3.067 240 T HA 0.433 4.782 4.350 -0.002 0.000 0.257 240 T C 0.680 175.334 174.700 -0.077 0.000 1.105 240 T CA 0.267 62.416 62.100 0.082 0.000 1.104 240 T CB -0.146 68.881 68.868 0.266 0.000 0.925 240 T HN 0.682 nan 8.240 nan 0.000 0.498 241 A N 0.689 123.380 122.820 -0.215 0.000 2.594 241 A HA 0.774 5.093 4.320 -0.002 0.000 0.295 241 A C -1.204 176.236 177.584 -0.239 0.000 1.071 241 A CA -1.076 50.733 52.037 -0.381 0.000 0.685 241 A CB 1.405 19.933 19.000 -0.788 0.000 1.285 241 A HN 0.319 nan 8.150 nan 0.000 0.405 242 M N 1.645 121.118 119.600 -0.212 0.000 2.464 242 M HA 0.498 4.977 4.480 -0.002 0.000 0.308 242 M C -1.318 174.839 176.300 -0.237 0.000 1.127 242 M CA -0.305 54.874 55.300 -0.201 0.000 0.913 242 M CB 2.063 34.581 32.600 -0.137 0.000 1.689 242 M HN 0.552 nan 8.290 nan 0.000 0.445 243 L N 3.254 124.242 121.223 -0.391 0.000 2.287 243 L HA 0.647 4.986 4.340 -0.002 0.000 0.287 243 L C -0.944 175.607 176.870 -0.531 0.000 1.022 243 L CA -0.788 53.710 54.840 -0.569 0.000 0.814 243 L CB 1.476 42.809 42.059 -1.209 0.000 1.217 243 L HN 0.418 nan 8.230 nan 0.000 0.420 244 V N 2.116 121.986 119.914 -0.073 0.000 2.628 244 V HA 0.417 4.536 4.120 -0.002 0.000 0.306 244 V C 0.751 177.150 176.094 0.508 0.000 1.045 244 V CA -0.418 61.977 62.300 0.159 0.000 0.905 244 V CB 1.751 33.654 31.823 0.133 0.000 0.997 244 V HN 0.853 nan 8.190 nan 0.000 0.436 245 A N 3.307 126.444 122.820 0.528 0.000 2.169 245 A HA 0.207 4.526 4.320 -0.002 0.000 0.212 245 A C 0.744 178.617 177.584 0.483 0.000 1.153 245 A CA 0.960 53.278 52.037 0.468 0.000 0.756 245 A CB -0.474 18.661 19.000 0.225 0.000 0.813 245 A HN 0.993 nan 8.150 nan 0.000 0.471 246 N N -2.265 116.715 118.700 0.467 0.000 3.020 246 N HA 0.130 4.869 4.740 -0.002 0.000 0.248 246 N C -1.017 174.689 175.510 0.326 0.000 1.480 246 N CA -0.328 52.965 53.050 0.404 0.000 0.874 246 N CB 0.076 38.792 38.487 0.383 0.000 1.433 246 N HN -0.193 nan 8.380 nan 0.000 0.530 247 D N 0.034 120.604 120.400 0.283 0.000 2.194 247 D HA -0.016 4.623 4.640 -0.002 0.000 0.204 247 D C 1.327 177.840 176.300 0.354 0.000 0.964 247 D CA 1.198 55.383 54.000 0.308 0.000 0.846 247 D CB 0.209 41.159 40.800 0.250 0.000 0.962 247 D HN 0.551 nan 8.370 nan 0.000 0.490 248 Q N -0.141 119.814 119.800 0.260 0.000 2.050 248 Q HA -0.047 4.292 4.340 -0.002 0.000 0.202 248 Q C 2.248 178.331 176.000 0.138 0.000 0.980 248 Q CA 0.944 56.855 55.803 0.179 0.000 0.840 248 Q CB -0.075 28.683 28.738 0.033 0.000 0.898 248 Q HN 0.313 nan 8.270 nan 0.000 0.424 249 M N -0.090 119.612 119.600 0.170 0.000 2.213 249 M HA -0.154 4.325 4.480 -0.002 0.000 0.263 249 M C 2.310 178.682 176.300 0.119 0.000 1.062 249 M CA 1.287 56.670 55.300 0.139 0.000 1.105 249 M CB -0.319 32.372 32.600 0.150 0.000 1.385 249 M HN 0.233 nan 8.290 nan 0.000 0.417 250 A N 0.499 123.412 122.820 0.156 0.000 1.898 250 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 250 A C 2.084 179.709 177.584 0.068 0.000 1.181 250 A CA 1.249 53.367 52.037 0.135 0.000 0.620 250 A CB -0.786 18.334 19.000 0.201 0.000 0.819 250 A HN 0.434 nan 8.150 nan 0.000 0.442 251 L N 0.291 121.511 121.223 -0.006 0.000 1.990 251 L HA -0.137 4.202 4.340 -0.002 0.000 0.213 251 L C 2.399 179.214 176.870 -0.092 0.000 1.072 251 L CA 2.605 57.281 54.840 -0.274 0.000 0.755 251 L CB -1.074 40.672 42.059 -0.522 0.000 0.889 251 L HN 0.309 nan 8.230 nan 0.000 0.432 252 G N -1.414 107.392 108.800 0.009 0.000 2.418 252 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.217 252 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.217 252 G C 1.602 176.596 174.900 0.156 0.000 1.158 252 G CA 0.897 46.073 45.100 0.126 0.000 0.771 252 G HN 0.689 nan 8.290 nan 0.000 0.545 253 A N 0.678 123.542 122.820 0.072 0.000 1.908 253 A HA -0.019 4.300 4.320 -0.002 0.000 0.218 253 A C 2.476 180.075 177.584 0.026 0.000 1.181 253 A CA 1.926 53.977 52.037 0.024 0.000 0.627 253 A CB -0.388 18.619 19.000 0.013 0.000 0.818 253 A HN 0.391 nan 8.150 nan 0.000 0.445 254 M N -1.409 118.210 119.600 0.032 0.000 2.117 254 M HA -0.167 4.312 4.480 -0.002 0.000 0.262 254 M C 2.399 178.729 176.300 0.049 0.000 1.065 254 M CA 1.994 57.311 55.300 0.027 0.000 1.114 254 M CB -0.328 32.279 32.600 0.011 0.000 1.361 254 M HN 0.490 nan 8.290 nan 0.000 0.408 255 R N 0.503 121.056 120.500 0.087 0.000 2.091 255 R HA -0.157 4.182 4.340 -0.002 0.000 0.238 255 R C 2.153 178.596 176.300 0.237 0.000 1.136 255 R CA 1.754 57.949 56.100 0.158 0.000 0.959 255 R CB -0.271 30.133 30.300 0.172 0.000 0.856 255 R HN 0.378 nan 8.270 nan 0.000 0.437 256 A N 1.039 123.980 122.820 0.202 0.000 1.873 256 A HA -0.133 4.186 4.320 -0.002 0.000 0.215 256 A C 2.158 179.714 177.584 -0.047 0.000 1.186 256 A CA 1.418 53.406 52.037 -0.081 0.000 0.616 256 A CB -0.527 18.239 19.000 -0.391 0.000 0.823 256 A HN 0.355 nan 8.150 nan 0.000 0.442 257 I N -0.189 120.366 120.570 -0.026 0.000 2.145 257 I HA -0.305 3.864 4.170 -0.002 0.000 0.244 257 I C 2.633 178.754 176.117 0.007 0.000 1.075 257 I CA 2.007 63.297 61.300 -0.016 0.000 1.332 257 I CB -0.576 37.419 38.000 -0.008 0.000 1.033 257 I HN 0.284 nan 8.210 nan 0.000 0.410 258 T N -0.138 114.435 114.554 0.032 0.000 2.777 258 T HA -0.151 4.198 4.350 -0.002 0.000 0.266 258 T C 1.614 176.340 174.700 0.043 0.000 1.040 258 T CA 1.258 63.380 62.100 0.037 0.000 1.141 258 T CB -0.239 68.655 68.868 0.043 0.000 0.868 258 T HN 0.434 nan 8.240 nan 0.000 0.444 259 E N 1.041 121.284 120.200 0.071 0.000 2.482 259 E HA 0.068 4.417 4.350 -0.002 0.000 0.196 259 E C 1.747 178.373 176.600 0.043 0.000 1.047 259 E CA 0.220 56.667 56.400 0.078 0.000 0.869 259 E CB 0.055 29.849 29.700 0.157 0.000 0.836 259 E HN 0.303 nan 8.360 nan 0.000 0.520 260 S N -0.296 115.412 115.700 0.014 0.000 2.593 260 S HA 0.122 4.591 4.470 -0.002 0.000 0.217 260 S C 1.278 175.878 174.600 -0.001 0.000 0.966 260 S CA 0.527 58.723 58.200 -0.007 0.000 0.914 260 S CB 0.690 63.869 63.200 -0.034 0.000 0.776 260 S HN 0.498 nan 8.310 nan 0.000 0.523 261 G N 1.149 109.954 108.800 0.008 0.000 2.130 261 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.216 261 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.216 261 G C -0.230 174.674 174.900 0.006 0.000 0.999 261 G CA -0.235 44.870 45.100 0.008 0.000 0.686 261 G HN 0.419 nan 8.290 nan 0.000 0.515 262 L N -0.829 120.397 121.223 0.006 0.000 2.323 262 L HA 0.737 5.077 4.340 -0.002 0.000 0.265 262 L C 0.654 177.531 176.870 0.011 0.000 1.012 262 L CA -1.292 53.551 54.840 0.005 0.000 0.820 262 L CB 1.748 43.806 42.059 -0.002 0.000 1.334 262 L HN 0.051 nan 8.230 nan 0.000 0.427 263 R N 0.658 121.165 120.500 0.013 0.000 2.294 263 R HA 0.461 4.801 4.340 -0.002 0.000 0.319 263 R C -0.940 175.372 176.300 0.020 0.000 0.984 263 R CA -0.757 55.353 56.100 0.018 0.000 0.861 263 R CB 1.744 32.055 30.300 0.019 0.000 1.104 263 R HN 0.271 nan 8.270 nan 0.000 0.451 264 V N 3.383 123.311 119.914 0.023 0.000 2.673 264 V HA 0.115 4.234 4.120 -0.002 0.000 0.303 264 V C 1.483 177.597 176.094 0.033 0.000 1.046 264 V CA 1.653 63.969 62.300 0.026 0.000 1.126 264 V CB 0.688 32.531 31.823 0.033 0.000 0.934 264 V HN 1.153 nan 8.190 nan 0.000 0.487 265 G N 4.341 113.162 108.800 0.035 0.000 3.757 265 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.215 265 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.215 265 G C 1.099 176.031 174.900 0.053 0.000 1.411 265 G CA 0.591 45.720 45.100 0.048 0.000 0.896 265 G HN 1.291 nan 8.290 nan 0.000 0.581 266 A N -0.287 122.557 122.820 0.041 0.000 1.872 266 A HA 0.240 4.559 4.320 -0.002 0.000 0.214 266 A C 1.934 179.541 177.584 0.038 0.000 1.187 266 A CA 2.484 54.542 52.037 0.036 0.000 0.614 266 A CB -0.287 18.728 19.000 0.026 0.000 0.826 266 A HN 0.479 nan 8.150 nan 0.000 0.442 267 D N -1.130 119.289 120.400 0.032 0.000 2.431 267 D HA 0.230 4.869 4.640 -0.002 0.000 0.235 267 D C 0.215 176.534 176.300 0.031 0.000 0.980 267 D CA 0.677 54.694 54.000 0.028 0.000 0.912 267 D CB 0.382 41.191 40.800 0.015 0.000 1.056 267 D HN 0.365 nan 8.370 nan 0.000 0.494 268 I N 0.980 121.560 120.570 0.017 0.000 2.468 268 I HA 0.150 4.319 4.170 -0.002 0.000 0.285 268 I C -0.342 175.762 176.117 -0.022 0.000 1.039 268 I CA -0.415 60.880 61.300 -0.009 0.000 1.074 268 I CB 2.310 40.293 38.000 -0.028 0.000 1.228 268 I HN -0.321 nan 8.210 nan 0.000 0.436 269 S N 4.416 120.076 115.700 -0.067 0.000 2.580 269 S HA 0.559 5.029 4.470 -0.002 0.000 0.274 269 S C -0.165 174.375 174.600 -0.100 0.000 1.329 269 S CA -0.474 57.677 58.200 -0.082 0.000 1.036 269 S CB 1.451 64.548 63.200 -0.172 0.000 0.919 269 S HN 0.347 nan 8.310 nan 0.000 0.515 270 V N 3.184 123.077 119.914 -0.035 0.000 2.686 270 V HA 0.458 4.577 4.120 -0.002 0.000 0.306 270 V C -0.752 175.355 176.094 0.022 0.000 1.065 270 V CA -0.697 61.592 62.300 -0.019 0.000 0.894 270 V CB 1.994 33.827 31.823 0.017 0.000 1.004 270 V HN 0.634 nan 8.190 nan 0.000 0.424 271 V N 3.636 123.560 119.914 0.016 0.000 2.409 271 V HA 0.791 4.910 4.120 -0.002 0.000 0.291 271 V C 0.745 176.903 176.094 0.107 0.000 1.020 271 V CA 0.009 62.342 62.300 0.055 0.000 0.848 271 V CB 1.509 33.366 31.823 0.057 0.000 0.990 271 V HN 0.974 nan 8.190 nan 0.000 0.430 272 G N 2.457 111.337 108.800 0.133 0.000 2.543 272 G HA2 0.550 4.509 3.960 -0.002 0.000 0.267 272 G HA3 0.550 4.509 3.960 -0.002 0.000 0.267 272 G C -1.754 173.312 174.900 0.277 0.000 1.406 272 G CA -0.348 44.881 45.100 0.215 0.000 1.048 272 G HN 0.525 nan 8.290 nan 0.000 0.548 273 Y N -0.781 119.614 120.300 0.159 0.000 2.358 273 Y HA 0.419 4.968 4.550 -0.002 0.000 0.324 273 Y C -0.202 175.750 175.900 0.087 0.000 1.123 273 Y CA -0.506 57.672 58.100 0.130 0.000 1.067 273 Y CB 1.984 40.571 38.460 0.211 0.000 1.230 273 Y HN 0.654 nan 8.280 nan 0.000 0.429 274 D N 1.351 121.804 120.400 0.087 0.000 1.597 274 D HA -0.157 4.482 4.640 -0.002 0.000 0.254 274 D C -0.340 175.910 176.300 -0.083 0.000 0.675 274 D CA 1.214 55.271 54.000 0.095 0.000 1.101 274 D CB -0.877 40.108 40.800 0.308 0.000 1.466 274 D HN 0.626 nan 8.370 nan 0.000 0.788 275 D N 1.540 121.907 120.400 -0.056 0.000 2.802 275 D HA -0.155 4.484 4.640 -0.002 0.000 0.229 275 D C -0.205 176.106 176.300 0.019 0.000 1.203 275 D CA 1.505 55.461 54.000 -0.073 0.000 0.712 275 D CB -0.844 39.865 40.800 -0.152 0.000 0.973 275 D HN 0.456 nan 8.370 nan 0.000 0.407 276 T N -1.727 112.898 114.554 0.118 0.000 2.748 276 T HA 0.163 4.512 4.350 -0.002 0.000 0.304 276 T C 1.357 176.078 174.700 0.035 0.000 1.041 276 T CA -0.048 62.155 62.100 0.171 0.000 1.033 276 T CB 1.031 70.023 68.868 0.207 0.000 0.995 276 T HN 0.155 nan 8.240 nan 0.000 0.536 277 E N 0.394 120.613 120.200 0.032 0.000 2.085 277 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 277 E C 1.520 178.073 176.600 -0.080 0.000 0.994 277 E CA 1.509 57.896 56.400 -0.022 0.000 0.801 277 E CB -0.392 29.294 29.700 -0.022 0.000 0.743 277 E HN 0.655 nan 8.360 nan 0.000 0.453 278 D N -0.811 119.532 120.400 -0.094 0.000 2.312 278 D HA -0.020 4.619 4.640 -0.002 0.000 0.211 278 D C 1.672 177.718 176.300 -0.422 0.000 0.964 278 D CA 0.497 54.424 54.000 -0.122 0.000 0.877 278 D CB -0.083 40.760 40.800 0.071 0.000 0.924 278 D HN 0.072 nan 8.370 nan 0.000 0.515 279 S N 0.264 115.598 115.700 -0.610 0.000 2.399 279 S HA -0.146 4.323 4.470 -0.002 0.000 0.231 279 S C 2.068 176.375 174.600 -0.488 0.000 1.022 279 S CA 1.196 58.818 58.200 -0.963 0.000 0.983 279 S CB -0.173 62.719 63.200 -0.514 0.000 0.803 279 S HN 0.416 nan 8.310 nan 0.000 0.480 280 S N -0.374 115.174 115.700 -0.254 0.000 2.507 280 S HA -0.019 4.450 4.470 -0.002 0.000 0.235 280 S C 1.322 175.881 174.600 -0.068 0.000 0.988 280 S CA 0.569 58.694 58.200 -0.124 0.000 0.944 280 S CB -0.593 62.555 63.200 -0.087 0.000 0.762 280 S HN 0.537 nan 8.310 nan 0.000 0.526 281 C N 1.212 120.470 119.300 -0.071 0.000 3.000 281 C HA 0.492 4.951 4.460 -0.002 0.000 0.286 281 C C -0.009 175.090 174.990 0.182 0.000 1.343 281 C CA -1.221 57.821 59.018 0.040 0.000 1.742 281 C CB -1.647 26.117 27.740 0.040 0.000 2.200 281 C HN 0.465 nan 8.230 nan 0.000 0.621 282 Y N 1.054 121.371 120.300 0.028 0.000 2.335 282 Y HA 0.355 4.905 4.550 -0.001 0.000 0.348 282 Y C 0.595 176.511 175.900 0.028 0.000 1.280 282 Y CA -0.640 57.479 58.100 0.033 0.000 1.504 282 Y CB 0.149 38.634 38.460 0.042 0.000 1.366 282 Y HN 0.090 nan 8.280 nan 0.000 0.621 283 I N 4.042 124.722 120.570 0.183 0.000 2.420 283 I HA 0.267 4.436 4.170 -0.002 0.000 0.282 283 I C -2.272 173.894 176.117 0.081 0.000 1.019 283 I CA -1.978 59.382 61.300 0.101 0.000 1.130 283 I CB 1.304 39.340 38.000 0.061 0.000 1.262 283 I HN 0.333 nan 8.210 nan 0.000 0.454 284 P HA 0.281 nan 4.420 nan 0.000 0.274 284 P C -2.573 174.797 177.300 0.118 0.000 1.246 284 P CA -1.575 61.576 63.100 0.085 0.000 0.795 284 P CB -0.240 31.499 31.700 0.065 0.000 1.006 285 P HA -0.013 nan 4.420 nan 0.000 0.264 285 P C -0.500 176.841 177.300 0.069 0.000 1.183 285 P CA 0.160 63.302 63.100 0.071 0.000 0.763 285 P CB 0.170 31.886 31.700 0.026 0.000 0.807 286 L N 4.694 125.954 121.223 0.061 0.000 2.313 286 L HA 0.222 4.561 4.340 -0.002 0.000 0.282 286 L C 0.009 176.888 176.870 0.014 0.000 1.092 286 L CA 0.531 55.417 54.840 0.078 0.000 0.831 286 L CB 0.056 42.196 42.059 0.135 0.000 1.159 286 L HN 0.270 nan 8.230 nan 0.000 0.442 287 T N 4.137 118.705 114.554 0.024 0.000 2.870 287 T HA 0.411 4.761 4.350 -0.002 0.000 0.300 287 T C 0.091 174.775 174.700 -0.027 0.000 0.989 287 T CA 0.156 62.243 62.100 -0.022 0.000 1.139 287 T CB 0.392 69.262 68.868 0.003 0.000 0.920 287 T HN 0.819 nan 8.240 nan 0.000 0.537 288 T N 2.228 116.732 114.554 -0.084 0.000 2.769 288 T HA 0.491 4.840 4.350 -0.002 0.000 0.306 288 T C -1.535 173.056 174.700 -0.181 0.000 1.400 288 T CA -0.809 61.242 62.100 -0.082 0.000 1.007 288 T CB 0.823 69.663 68.868 -0.046 0.000 1.392 288 T HN 0.301 nan 8.240 nan 0.000 0.500 289 I N 3.301 123.708 120.570 -0.273 0.000 2.297 289 I HA 0.358 4.527 4.170 -0.002 0.000 0.291 289 I C 0.513 176.368 176.117 -0.437 0.000 1.033 289 I CA -0.500 60.525 61.300 -0.459 0.000 1.253 289 I CB 0.918 38.358 38.000 -0.934 0.000 1.396 289 I HN 0.621 nan 8.210 nan 0.000 0.476 290 K N 6.933 127.119 120.400 -0.356 0.000 2.339 290 K HA 0.188 4.507 4.320 -0.002 0.000 0.286 290 K C -0.385 175.899 176.600 -0.527 0.000 1.050 290 K CA -0.272 55.787 56.287 -0.380 0.000 0.956 290 K CB 0.640 32.970 32.500 -0.284 0.000 0.990 290 K HN 0.527 nan 8.250 nan 0.000 0.475 291 Q N 3.319 122.640 119.800 -0.798 0.000 2.368 291 Q HA 0.075 4.414 4.340 -0.002 0.000 0.263 291 Q C -1.175 174.008 176.000 -1.360 0.000 1.009 291 Q CA -0.734 54.230 55.803 -1.399 0.000 0.818 291 Q CB 1.534 29.185 28.738 -1.812 0.000 1.239 291 Q HN 0.522 nan 8.270 nan 0.000 0.464 292 D N 2.761 122.782 120.400 -0.630 0.000 2.402 292 D HA 0.038 4.677 4.640 -0.002 0.000 0.235 292 D C -0.004 176.261 176.300 -0.058 0.000 1.226 292 D CA -0.173 53.653 54.000 -0.290 0.000 0.918 292 D CB 0.261 41.025 40.800 -0.060 0.000 1.043 292 D HN 0.369 nan 8.370 nan 0.000 0.506 293 F N 2.386 122.409 119.950 0.122 0.000 2.407 293 F HA 0.055 4.581 4.527 -0.002 0.000 0.299 293 F C 2.311 178.172 175.800 0.102 0.000 1.097 293 F CA 0.355 58.448 58.000 0.155 0.000 1.422 293 F CB -0.247 38.800 39.000 0.078 0.000 1.067 293 F HN 0.275 nan 8.300 nan 0.000 0.539 294 R N -0.112 120.504 120.500 0.192 0.000 2.066 294 R HA -0.131 4.208 4.340 -0.002 0.000 0.232 294 R C 2.145 178.502 176.300 0.095 0.000 1.131 294 R CA 1.197 57.368 56.100 0.118 0.000 0.955 294 R CB -0.815 29.526 30.300 0.069 0.000 0.851 294 R HN 0.220 nan 8.270 nan 0.000 0.432 295 L N 0.899 122.176 121.223 0.090 0.000 2.012 295 L HA -0.158 4.181 4.340 -0.002 0.000 0.210 295 L C 2.030 178.936 176.870 0.060 0.000 1.073 295 L CA 1.572 56.451 54.840 0.066 0.000 0.748 295 L CB -0.568 41.532 42.059 0.068 0.000 0.891 295 L HN 0.148 nan 8.230 nan 0.000 0.431 296 L N -0.240 121.052 121.223 0.116 0.000 2.046 296 L HA -0.006 4.333 4.340 -0.002 0.000 0.208 296 L C 2.318 179.223 176.870 0.058 0.000 1.077 296 L CA 2.088 56.956 54.840 0.047 0.000 0.747 296 L CB -1.402 40.737 42.059 0.134 0.000 0.896 296 L HN 0.316 nan 8.230 nan 0.000 0.432 297 G N -1.231 107.630 108.800 0.101 0.000 2.459 297 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.217 297 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.217 297 G C 1.463 176.383 174.900 0.033 0.000 1.183 297 G CA 0.763 45.902 45.100 0.064 0.000 0.776 297 G HN 0.501 nan 8.290 nan 0.000 0.552 298 Q N 0.764 120.584 119.800 0.033 0.000 2.050 298 Q HA -0.160 4.179 4.340 -0.002 0.000 0.202 298 Q C 2.703 178.706 176.000 0.005 0.000 0.980 298 Q CA 2.561 58.374 55.803 0.017 0.000 0.840 298 Q CB -0.762 27.987 28.738 0.018 0.000 0.898 298 Q HN 0.567 nan 8.270 nan 0.000 0.424 299 T N -1.488 113.064 114.554 -0.002 0.000 2.904 299 T HA -0.086 4.264 4.350 -0.002 0.000 0.267 299 T C 2.146 176.836 174.700 -0.018 0.000 1.059 299 T CA 1.711 63.801 62.100 -0.016 0.000 1.137 299 T CB -0.459 68.388 68.868 -0.034 0.000 0.879 299 T HN 0.381 nan 8.240 nan 0.000 0.467 300 S N 1.173 116.863 115.700 -0.017 0.000 2.368 300 S HA -0.046 4.423 4.470 -0.002 0.000 0.224 300 S C 2.070 176.662 174.600 -0.014 0.000 1.029 300 S CA 0.978 59.167 58.200 -0.017 0.000 0.988 300 S CB -1.074 62.117 63.200 -0.014 0.000 0.838 300 S HN 0.351 nan 8.310 nan 0.000 0.462 301 V N 2.998 122.908 119.914 -0.008 0.000 2.295 301 V HA -0.178 3.941 4.120 -0.002 0.000 0.246 301 V C 2.490 178.579 176.094 -0.008 0.000 1.049 301 V CA 2.324 64.619 62.300 -0.008 0.000 1.024 301 V CB -0.896 30.925 31.823 -0.003 0.000 0.648 301 V HN 0.454 nan 8.190 nan 0.000 0.447 302 D N -0.360 120.036 120.400 -0.007 0.000 2.097 302 D HA -0.168 4.471 4.640 -0.002 0.000 0.195 302 D C 2.304 178.599 176.300 -0.007 0.000 0.989 302 D CA 1.203 55.200 54.000 -0.006 0.000 0.827 302 D CB -0.339 40.458 40.800 -0.005 0.000 0.966 302 D HN 0.193 nan 8.370 nan 0.000 0.456 303 R N 0.717 121.212 120.500 -0.008 0.000 2.091 303 R HA -0.110 4.229 4.340 -0.002 0.000 0.238 303 R C 2.160 178.456 176.300 -0.006 0.000 1.136 303 R CA 0.834 56.930 56.100 -0.007 0.000 0.959 303 R CB -1.007 29.288 30.300 -0.009 0.000 0.856 303 R HN 0.178 nan 8.270 nan 0.000 0.437 304 L N 0.096 121.312 121.223 -0.011 0.000 2.046 304 L HA -0.085 4.255 4.340 -0.002 0.000 0.208 304 L C 2.034 178.898 176.870 -0.010 0.000 1.077 304 L CA 1.695 56.526 54.840 -0.015 0.000 0.747 304 L CB -0.419 41.626 42.059 -0.023 0.000 0.896 304 L HN 0.280 nan 8.230 nan 0.000 0.432 305 L N -1.219 119.999 121.223 -0.009 0.000 2.046 305 L HA -0.266 4.073 4.340 -0.002 0.000 0.208 305 L C 2.619 179.487 176.870 -0.004 0.000 1.077 305 L CA 1.467 56.303 54.840 -0.006 0.000 0.747 305 L CB -0.647 41.409 42.059 -0.005 0.000 0.896 305 L HN 0.387 nan 8.230 nan 0.000 0.432 306 Q N 0.003 119.802 119.800 -0.003 0.000 2.030 306 Q HA -0.228 4.111 4.340 -0.002 0.000 0.204 306 Q C 2.373 178.374 176.000 0.002 0.000 0.986 306 Q CA 1.550 57.353 55.803 -0.000 0.000 0.843 306 Q CB -0.278 28.460 28.738 -0.000 0.000 0.904 306 Q HN 0.472 nan 8.270 nan 0.000 0.420 307 L N 0.667 121.891 121.223 0.003 0.000 2.042 307 L HA -0.231 4.108 4.340 -0.002 0.000 0.210 307 L C 2.682 179.554 176.870 0.004 0.000 1.076 307 L CA 1.432 56.276 54.840 0.006 0.000 0.749 307 L CB -0.709 41.355 42.059 0.008 0.000 0.893 307 L HN 0.340 nan 8.230 nan 0.000 0.432 308 S N -1.052 114.648 115.700 0.000 0.000 2.419 308 S HA -0.180 4.289 4.470 -0.002 0.000 0.233 308 S C 1.706 176.307 174.600 0.001 0.000 1.016 308 S CA 0.689 58.889 58.200 -0.001 0.000 0.974 308 S CB -0.228 62.969 63.200 -0.005 0.000 0.786 308 S HN 0.416 nan 8.310 nan 0.000 0.492 309 Q N 0.947 120.747 119.800 0.001 0.000 2.322 309 Q HA 0.276 4.615 4.340 -0.002 0.000 0.203 309 Q C 1.265 177.267 176.000 0.003 0.000 0.923 309 Q CA 0.541 56.345 55.803 0.002 0.000 0.949 309 Q CB -0.403 28.335 28.738 0.001 0.000 1.039 309 Q HN 0.801 nan 8.270 nan 0.000 0.496 310 G N 1.458 110.261 108.800 0.005 0.000 2.221 310 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.265 310 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.265 310 G C 0.046 174.950 174.900 0.006 0.000 1.041 310 G CA 0.069 45.173 45.100 0.007 0.000 0.807 310 G HN 0.215 nan 8.290 nan 0.000 0.502 311 Q N -0.684 119.120 119.800 0.006 0.000 2.312 311 Q HA 0.570 4.910 4.340 -0.002 0.000 0.236 311 Q C 0.807 176.811 176.000 0.007 0.000 0.965 311 Q CA 0.212 56.018 55.803 0.005 0.000 0.894 311 Q CB 1.065 29.805 28.738 0.003 0.000 1.225 311 Q HN 0.791 nan 8.270 nan 0.000 0.478 312 A N 1.650 124.474 122.820 0.006 0.000 3.048 312 A HA 0.259 4.578 4.320 -0.002 0.000 0.264 312 A C 0.611 178.199 177.584 0.007 0.000 1.796 312 A CA -0.178 51.863 52.037 0.007 0.000 1.445 312 A CB -1.042 17.962 19.000 0.005 0.000 1.074 312 A HN 0.443 nan 8.150 nan 0.000 0.621 313 V N -2.219 117.701 119.914 0.009 0.000 3.111 313 V HA 0.294 4.413 4.120 -0.002 0.000 0.343 313 V C 0.102 176.205 176.094 0.014 0.000 1.417 313 V CA -0.629 61.676 62.300 0.009 0.000 1.142 313 V CB -0.902 30.925 31.823 0.006 0.000 1.114 313 V HN 0.433 nan 8.190 nan 0.000 0.520 314 K N 1.741 122.151 120.400 0.017 0.000 2.258 314 K HA 0.667 4.986 4.320 -0.002 0.000 0.264 314 K C 0.745 177.357 176.600 0.021 0.000 1.007 314 K CA 0.945 57.246 56.287 0.024 0.000 0.941 314 K CB 0.861 33.375 32.500 0.023 0.000 0.966 314 K HN 0.873 nan 8.250 nan 0.000 0.480 315 G N 1.026 109.842 108.800 0.027 0.000 2.362 315 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.517 315 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.517 315 G C -1.485 173.430 174.900 0.025 0.000 1.256 315 G CA -0.840 44.273 45.100 0.022 0.000 1.027 315 G HN 0.698 nan 8.290 nan 0.000 0.491 316 N N 0.220 118.932 118.700 0.019 0.000 2.443 316 N HA 0.477 5.216 4.740 -0.002 0.000 0.295 316 N C -0.458 175.057 175.510 0.008 0.000 1.076 316 N CA -0.151 52.911 53.050 0.019 0.000 0.919 316 N CB 1.692 40.192 38.487 0.022 0.000 1.176 316 N HN 0.778 nan 8.380 nan 0.000 0.487 317 Q N 3.820 123.619 119.800 -0.002 0.000 2.333 317 Q HA 0.387 4.726 4.340 -0.002 0.000 0.267 317 Q C -1.304 174.676 176.000 -0.034 0.000 1.012 317 Q CA -0.722 55.070 55.803 -0.019 0.000 0.824 317 Q CB 1.428 30.148 28.738 -0.030 0.000 1.290 317 Q HN 0.584 nan 8.270 nan 0.000 0.449 318 L N 4.958 126.163 121.223 -0.029 0.000 2.264 318 L HA 0.420 4.759 4.340 -0.002 0.000 0.289 318 L C -0.478 176.361 176.870 -0.052 0.000 1.044 318 L CA -0.541 54.279 54.840 -0.033 0.000 0.807 318 L CB 0.953 43.003 42.059 -0.015 0.000 1.192 318 L HN 0.550 nan 8.230 nan 0.000 0.425 319 L N 5.499 126.662 121.223 -0.100 0.000 2.375 319 L HA 0.480 4.819 4.340 -0.002 0.000 0.271 319 L C -1.940 174.979 176.870 0.081 0.000 1.107 319 L CA -1.837 52.959 54.840 -0.073 0.000 0.806 319 L CB 1.107 42.988 42.059 -0.297 0.000 1.146 319 L HN 0.372 nan 8.230 nan 0.000 0.447 320 P HA 0.223 nan 4.420 nan 0.000 0.276 320 P C -0.961 176.414 177.300 0.125 0.000 1.252 320 P CA -0.246 62.901 63.100 0.079 0.000 0.802 320 P CB 1.555 33.272 31.700 0.028 0.000 1.035 321 V N -2.232 117.696 119.914 0.024 0.000 3.126 321 V HA 0.928 5.047 4.120 -0.002 0.000 0.314 321 V C -0.417 175.610 176.094 -0.112 0.000 1.138 321 V CA -0.930 61.321 62.300 -0.082 0.000 1.034 321 V CB 1.466 33.213 31.823 -0.128 0.000 1.075 321 V HN 0.835 nan 8.190 nan 0.000 0.442 322 S N 1.016 116.614 115.700 -0.171 0.000 2.607 322 S HA 0.767 5.236 4.470 -0.002 0.000 0.273 322 S C -1.167 173.317 174.600 -0.193 0.000 1.148 322 S CA -0.751 57.359 58.200 -0.151 0.000 0.833 322 S CB 1.644 64.770 63.200 -0.124 0.000 1.130 322 S HN 1.481 nan 8.310 nan 0.000 0.470 323 L N 1.955 123.074 121.223 -0.172 0.000 2.276 323 L HA 0.666 5.005 4.340 -0.002 0.000 0.286 323 L C -1.147 175.612 176.870 -0.186 0.000 1.061 323 L CA -0.336 54.381 54.840 -0.205 0.000 0.807 323 L CB 1.078 43.002 42.059 -0.226 0.000 1.177 323 L HN 0.631 nan 8.230 nan 0.000 0.429 324 V N 5.811 125.612 119.914 -0.187 0.000 2.318 324 V HA 0.288 4.407 4.120 -0.002 0.000 0.271 324 V C 0.190 176.193 176.094 -0.151 0.000 1.030 324 V CA -0.712 61.499 62.300 -0.149 0.000 0.844 324 V CB 0.822 32.566 31.823 -0.133 0.000 1.015 324 V HN 0.676 nan 8.190 nan 0.000 0.460 325 K N 5.645 125.960 120.400 -0.141 0.000 2.312 325 K HA 0.450 4.769 4.320 -0.002 0.000 0.287 325 K C 0.315 176.885 176.600 -0.049 0.000 1.062 325 K CA -0.272 55.945 56.287 -0.117 0.000 0.934 325 K CB 0.696 33.146 32.500 -0.083 0.000 1.027 325 K HN 0.661 nan 8.250 nan 0.000 0.478 326 R N 2.405 122.891 120.500 -0.023 0.000 2.228 326 R HA 0.297 4.637 4.340 -0.002 0.000 0.117 326 R C 0.327 176.644 176.300 0.028 0.000 1.672 326 R CA -0.657 55.442 56.100 -0.001 0.000 1.446 326 R CB 0.078 30.373 30.300 -0.008 0.000 1.215 326 R HN 0.290 nan 8.270 nan 0.000 0.451 327 K N 1.245 121.668 120.400 0.040 0.000 2.501 327 K HA 0.150 4.469 4.320 -0.002 0.000 0.204 327 K C 0.544 177.179 176.600 0.059 0.000 1.067 327 K CA 0.294 56.610 56.287 0.048 0.000 1.060 327 K CB 1.514 34.039 32.500 0.043 0.000 0.873 327 K HN 0.561 nan 8.250 nan 0.000 0.540 328 T N -1.651 112.944 114.554 0.068 0.000 3.134 328 T HA 0.086 4.435 4.350 -0.002 0.000 0.260 328 T C 0.505 175.250 174.700 0.075 0.000 1.027 328 T CA -0.299 61.842 62.100 0.069 0.000 0.913 328 T CB -0.118 68.794 68.868 0.074 0.000 1.046 328 T HN 0.060 nan 8.240 nan 0.000 0.553 329 T N 0.371 114.987 114.554 0.103 0.000 2.937 329 T HA 0.760 5.109 4.350 -0.002 0.000 0.297 329 T C -0.779 173.986 174.700 0.108 0.000 0.991 329 T CA -0.831 61.343 62.100 0.123 0.000 0.990 329 T CB 1.675 70.683 68.868 0.234 0.000 0.991 329 T HN 0.230 nan 8.240 nan 0.000 0.440 330 L N 1.670 122.960 121.223 0.112 0.000 2.303 330 L HA 0.844 5.183 4.340 -0.002 0.000 0.256 330 L C 0.716 177.627 176.870 0.068 0.000 1.034 330 L CA -1.785 53.097 54.840 0.070 0.000 0.832 330 L CB 1.849 43.938 42.059 0.050 0.000 1.403 330 L HN 0.941 nan 8.230 nan 0.000 0.419 331 A N 1.627 124.417 122.820 -0.049 0.000 2.547 331 A HA 0.314 4.633 4.320 -0.002 0.000 0.233 331 A C -2.311 175.160 177.584 -0.187 0.000 1.067 331 A CA -0.503 51.418 52.037 -0.193 0.000 0.763 331 A CB -0.844 18.072 19.000 -0.140 0.000 1.007 331 A HN 0.381 nan 8.150 nan 0.000 0.506 332 P HA 0.074 nan 4.420 nan 0.000 0.271 332 P C -0.586 176.680 177.300 -0.057 0.000 1.216 332 P CA -0.160 62.852 63.100 -0.146 0.000 0.776 332 P CB 0.378 31.952 31.700 -0.211 0.000 0.881 333 N N 0.305 119.006 118.700 0.002 0.000 2.524 333 N HA 0.173 4.912 4.740 -0.002 0.000 0.283 333 N C 1.047 176.555 175.510 -0.005 0.000 1.142 333 N CA -0.255 52.794 53.050 -0.002 0.000 0.984 333 N CB 0.772 39.267 38.487 0.013 0.000 1.155 333 N HN 0.255 nan 8.380 nan 0.000 0.467 334 T N 0.744 115.292 114.554 -0.009 0.000 2.914 334 T HA -0.017 4.332 4.350 -0.002 0.000 0.240 334 T C 0.347 175.045 174.700 -0.003 0.000 1.025 334 T CA 0.614 62.709 62.100 -0.008 0.000 1.198 334 T CB -0.168 68.693 68.868 -0.012 0.000 0.892 334 T HN 0.477 nan 8.240 nan 0.000 0.417 335 Q N 2.411 122.209 119.800 -0.003 0.000 2.327 335 Q HA 0.321 4.660 4.340 -0.002 0.000 0.254 335 Q C -0.038 175.962 176.000 -0.000 0.000 0.952 335 Q CA -0.199 55.603 55.803 -0.002 0.000 0.884 335 Q CB 0.822 29.558 28.738 -0.003 0.000 1.224 335 Q HN 0.530 nan 8.270 nan 0.000 0.422 336 T N -0.279 114.274 114.554 -0.001 0.000 2.902 336 T HA 0.759 5.109 4.350 -0.002 0.000 0.280 336 T C -0.059 174.640 174.700 -0.001 0.000 0.992 336 T CA -0.728 61.372 62.100 -0.001 0.000 1.015 336 T CB 1.246 70.113 68.868 -0.002 0.000 1.044 336 T HN 0.654 nan 8.240 nan 0.000 0.520 337 A N 1.991 124.811 122.820 -0.000 0.000 2.445 337 A HA 0.540 4.859 4.320 -0.002 0.000 0.242 337 A C 0.871 178.455 177.584 -0.001 0.000 1.075 337 A CA -0.448 51.589 52.037 0.000 0.000 0.777 337 A CB -0.404 18.596 19.000 0.001 0.000 1.013 337 A HN 1.273 nan 8.150 nan 0.000 0.493 338 S N 2.122 117.821 115.700 -0.000 0.000 2.610 338 S HA 0.473 4.942 4.470 -0.002 0.000 0.273 338 S C -2.033 172.566 174.600 -0.000 0.000 1.274 338 S CA -1.050 57.149 58.200 -0.001 0.000 1.023 338 S CB 0.971 64.171 63.200 -0.001 0.000 0.962 338 S HN 0.422 nan 8.310 nan 0.000 0.523 339 P HA -0.107 nan 4.420 nan 0.000 0.216 339 P C 1.604 178.904 177.300 -0.000 0.000 1.153 339 P CA 1.100 64.200 63.100 -0.001 0.000 0.858 339 P CB 0.045 31.744 31.700 -0.001 0.000 0.789 340 R N -0.484 120.016 120.500 -0.000 0.000 2.091 340 R HA -0.126 4.213 4.340 -0.002 0.000 0.238 340 R C 2.132 178.432 176.300 0.001 0.000 1.136 340 R CA 1.670 57.771 56.100 0.000 0.000 0.959 340 R CB -0.809 29.491 30.300 0.000 0.000 0.856 340 R HN 0.092 nan 8.270 nan 0.000 0.437 341 A N 0.543 123.364 122.820 0.001 0.000 1.902 341 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 341 A C 1.922 179.507 177.584 0.002 0.000 1.181 341 A CA 0.982 53.020 52.037 0.001 0.000 0.623 341 A CB -0.448 18.553 19.000 0.001 0.000 0.818 341 A HN 0.212 nan 8.150 nan 0.000 0.443 342 L N -0.284 120.940 121.223 0.001 0.000 2.012 342 L HA -0.148 4.191 4.340 -0.002 0.000 0.210 342 L C 3.017 179.889 176.870 0.002 0.000 1.073 342 L CA 1.980 56.821 54.840 0.002 0.000 0.748 342 L CB -1.486 40.574 42.059 0.001 0.000 0.891 342 L HN 0.421 nan 8.230 nan 0.000 0.431 343 A N -0.711 122.110 122.820 0.001 0.000 1.908 343 A HA -0.227 4.092 4.320 -0.002 0.000 0.218 343 A C 2.024 179.609 177.584 0.002 0.000 1.181 343 A CA 1.888 53.926 52.037 0.001 0.000 0.627 343 A CB -0.655 18.345 19.000 0.001 0.000 0.818 343 A HN 0.418 nan 8.150 nan 0.000 0.445 344 D N 0.046 120.447 120.400 0.002 0.000 2.123 344 D HA -0.095 4.544 4.640 -0.002 0.000 0.196 344 D C 2.322 178.623 176.300 0.003 0.000 0.992 344 D CA 1.694 55.695 54.000 0.002 0.000 0.833 344 D CB -0.412 40.389 40.800 0.002 0.000 0.954 344 D HN 0.416 nan 8.370 nan 0.000 0.455 345 S N 0.334 116.036 115.700 0.003 0.000 2.368 345 S HA -0.069 4.400 4.470 -0.002 0.000 0.225 345 S C 2.239 176.841 174.600 0.004 0.000 1.030 345 S CA 0.459 58.661 58.200 0.004 0.000 0.999 345 S CB -0.230 62.972 63.200 0.004 0.000 0.844 345 S HN 0.229 nan 8.310 nan 0.000 0.459 346 L N 0.899 122.124 121.223 0.003 0.000 2.046 346 L HA -0.116 4.223 4.340 -0.002 0.000 0.208 346 L C 2.609 179.480 176.870 0.003 0.000 1.077 346 L CA 1.223 56.065 54.840 0.003 0.000 0.747 346 L CB -0.521 41.540 42.059 0.003 0.000 0.896 346 L HN 0.333 nan 8.230 nan 0.000 0.432 347 M N -1.094 118.508 119.600 0.003 0.000 2.117 347 M HA -0.244 4.235 4.480 -0.002 0.000 0.262 347 M C 2.365 178.667 176.300 0.003 0.000 1.065 347 M CA 1.729 57.030 55.300 0.002 0.000 1.114 347 M CB -0.440 32.161 32.600 0.002 0.000 1.361 347 M HN 0.290 nan 8.290 nan 0.000 0.408 348 Q N 0.412 120.214 119.800 0.003 0.000 2.061 348 Q HA -0.173 4.166 4.340 -0.002 0.000 0.204 348 Q C 2.081 178.083 176.000 0.003 0.000 0.984 348 Q CA 1.371 57.176 55.803 0.003 0.000 0.846 348 Q CB -0.358 28.382 28.738 0.003 0.000 0.902 348 Q HN 0.538 nan 8.270 nan 0.000 0.421 349 L N 0.119 121.344 121.223 0.004 0.000 2.083 349 L HA -0.163 4.177 4.340 -0.002 0.000 0.209 349 L C 2.534 179.406 176.870 0.003 0.000 1.083 349 L CA 0.851 55.693 54.840 0.004 0.000 0.752 349 L CB -0.641 41.420 42.059 0.004 0.000 0.899 349 L HN 0.204 nan 8.230 nan 0.000 0.433 350 A N 0.275 123.097 122.820 0.003 0.000 1.902 350 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 350 A C 2.413 179.998 177.584 0.003 0.000 1.181 350 A CA 1.449 53.487 52.037 0.003 0.000 0.623 350 A CB -0.451 18.551 19.000 0.002 0.000 0.818 350 A HN 0.321 nan 8.150 nan 0.000 0.443 351 R N -0.570 119.931 120.500 0.002 0.000 2.096 351 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 351 R C 2.455 178.756 176.300 0.002 0.000 1.127 351 R CA 1.687 57.788 56.100 0.002 0.000 0.968 351 R CB -0.309 29.992 30.300 0.002 0.000 0.861 351 R HN 0.700 nan 8.270 nan 0.000 0.440 352 Q N -0.005 119.797 119.800 0.003 0.000 2.079 352 Q HA -0.098 4.242 4.340 -0.002 0.000 0.200 352 Q C 2.250 178.252 176.000 0.003 0.000 0.974 352 Q CA 1.331 57.136 55.803 0.003 0.000 0.840 352 Q CB -0.016 28.724 28.738 0.003 0.000 0.898 352 Q HN 0.165 nan 8.270 nan 0.000 0.430 353 V N 1.562 121.478 119.914 0.003 0.000 2.287 353 V HA -0.310 3.809 4.120 -0.002 0.000 0.248 353 V C 2.589 178.684 176.094 0.002 0.000 1.053 353 V CA 2.122 64.424 62.300 0.003 0.000 1.027 353 V CB -0.977 30.848 31.823 0.003 0.000 0.646 353 V HN 0.507 nan 8.190 nan 0.000 0.447 354 S N 2.240 117.941 115.700 0.002 0.000 2.383 354 S HA -0.282 4.187 4.470 -0.002 0.000 0.229 354 S C 1.870 176.471 174.600 0.002 0.000 1.030 354 S CA 1.696 59.898 58.200 0.002 0.000 1.002 354 S CB -0.660 62.542 63.200 0.002 0.000 0.829 354 S HN 0.817 nan 8.310 nan 0.000 0.467 355 R N 1.000 121.501 120.500 0.002 0.000 2.363 355 R HA 0.337 4.676 4.340 -0.002 0.000 0.236 355 R C 1.330 177.631 176.300 0.002 0.000 0.966 355 R CA 0.149 56.250 56.100 0.002 0.000 1.100 355 R CB -0.612 29.689 30.300 0.002 0.000 1.125 355 R HN 0.409 nan 8.270 nan 0.000 0.514 356 L N 0.128 121.352 121.223 0.002 0.000 2.418 356 L HA 0.082 4.421 4.340 -0.002 0.000 0.218 356 L C 0.383 177.254 176.870 0.002 0.000 1.125 356 L CA 0.563 55.404 54.840 0.002 0.000 0.835 356 L CB 0.009 42.069 42.059 0.002 0.000 0.953 356 L HN 0.246 nan 8.230 nan 0.000 0.454 357 E N 0.114 120.315 120.200 0.002 0.000 2.279 357 E HA 0.325 4.674 4.350 -0.002 0.000 0.252 357 E C -0.924 175.677 176.600 0.001 0.000 0.894 357 E CA -0.550 55.851 56.400 0.001 0.000 0.785 357 E CB 1.039 30.740 29.700 0.001 0.000 1.237 357 E HN 0.041 nan 8.360 nan 0.000 0.418 358 S N 3.000 118.701 115.700 0.001 0.000 2.964 358 S HA 0.197 4.666 4.470 -0.002 0.000 0.829 358 S C 0.572 175.173 174.600 0.001 0.000 0.843 358 S CA 0.997 59.198 58.200 0.001 0.000 1.458 358 S CB -1.124 62.077 63.200 0.001 0.000 1.044 358 S HN 1.637 nan 8.310 nan 0.000 0.490 359 G N 2.487 111.288 108.800 0.001 0.000 2.227 359 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.168 359 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.168 359 G C -0.187 174.714 174.900 0.002 0.000 1.006 359 G CA 0.159 45.260 45.100 0.001 0.000 0.684 359 G HN 0.784 nan 8.290 nan 0.000 0.489 360 Q N 0.000 119.801 119.800 0.001 0.000 2.315 360 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 360 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 360 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 360 Q HN 0.000 nan 8.270 nan 0.000 0.481