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 2x4f_1_A DATA FIRST_RESID 80 DATA SEQUENCE DIPAPPAPFD HRIVTAKQGA VNSFYTVSKT EILGXXXXXQ VHKCEETATG DATA SEQUENCE LKLAAKIIKT RGMKDKEEVK NEISVMNQLD HANLIQLYDA FESKNDIVLV DATA SEQUENCE MEYVDGGELF DRIIDESYNL TELDTILFMK QICEGIRHMH QMYILHLDLK DATA SEQUENCE PENILCVNRD AKQIKIIDFG LARRYKPREK LKVNFGTPEF LAPEVVNYDF DATA SEQUENCE VSFPTDMWSV GVIAYMLLSG LSPFLGDNDA ETLNNILACR WDLEDEEFQD DATA SEQUENCE ISEEAKEFIS KLLIKEKSWR ISASEALKHP WLSDHKLHSR LSAQ 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 80 D HA 0.000 nan 4.640 nan 0.000 0.175 80 D C 0.000 176.263 176.300 -0.062 0.000 2.045 80 D CA 0.000 53.948 54.000 -0.086 0.000 0.868 80 D CB 0.000 40.724 40.800 -0.126 0.000 0.688 81 I N 0.388 120.922 120.570 -0.060 0.000 2.353 81 I HA 0.774 4.944 4.170 -0.000 0.000 0.293 81 I C -2.447 173.644 176.117 -0.043 0.000 0.992 81 I CA -1.898 59.374 61.300 -0.047 0.000 1.268 81 I CB 0.699 38.673 38.000 -0.043 0.000 1.387 81 I HN 0.468 nan 8.210 nan 0.000 0.478 82 P HA 0.447 nan 4.420 nan 0.000 0.271 82 P C 0.234 177.507 177.300 -0.044 0.000 1.216 82 P CA 0.162 63.238 63.100 -0.041 0.000 0.776 82 P CB 0.775 32.442 31.700 -0.055 0.000 0.881 83 A N 5.482 128.281 122.820 -0.034 0.000 2.555 83 A HA 0.249 4.569 4.320 -0.000 0.000 0.233 83 A C -1.848 175.704 177.584 -0.053 0.000 1.060 83 A CA -0.609 51.409 52.037 -0.031 0.000 0.759 83 A CB -1.308 17.686 19.000 -0.010 0.000 0.995 83 A HN 0.427 nan 8.150 nan 0.000 0.506 84 P HA 0.278 nan 4.420 nan 0.000 0.275 84 P C -2.515 174.741 177.300 -0.073 0.000 1.227 84 P CA -1.145 61.921 63.100 -0.056 0.000 0.781 84 P CB -0.021 31.654 31.700 -0.043 0.000 0.906 85 P HA 0.102 nan 4.420 nan 0.000 0.273 85 P C -0.273 176.938 177.300 -0.147 0.000 1.250 85 P CA -0.273 62.754 63.100 -0.121 0.000 0.793 85 P CB 0.360 31.988 31.700 -0.120 0.000 1.011 86 A N 2.452 125.130 122.820 -0.237 0.000 2.520 86 A HA 0.183 4.503 4.320 -0.000 0.000 0.235 86 A C -1.182 176.193 177.584 -0.348 0.000 1.065 86 A CA -0.698 51.093 52.037 -0.409 0.000 0.764 86 A CB -1.174 17.307 19.000 -0.866 0.000 1.002 86 A HN 0.480 nan 8.150 nan 0.000 0.502 87 P HA 0.131 nan 4.420 nan 0.000 0.256 87 P C -0.684 176.698 177.300 0.136 0.000 1.335 87 P CA 0.543 63.643 63.100 -0.001 0.000 0.808 87 P CB -0.699 31.066 31.700 0.107 0.000 1.305 88 F N -2.701 117.311 119.950 0.103 0.000 2.626 88 F HA 0.594 5.121 4.527 -0.000 0.000 0.311 88 F C -0.458 175.421 175.800 0.132 0.000 1.088 88 F CA -1.828 56.263 58.000 0.151 0.000 0.949 88 F CB 0.451 39.627 39.000 0.292 0.000 1.322 88 F HN -0.408 nan 8.300 nan 0.000 0.461 89 D N 0.376 120.954 120.400 0.296 0.000 2.372 89 D HA 0.050 4.690 4.640 -0.000 0.000 0.243 89 D C -0.342 176.131 176.300 0.288 0.000 1.121 89 D CA 0.259 54.377 54.000 0.198 0.000 0.898 89 D CB 0.451 41.343 40.800 0.154 0.000 1.202 89 D HN 0.773 nan 8.370 nan 0.000 0.428 90 H N 1.607 120.748 119.070 0.117 0.000 3.140 90 H HA 0.006 4.562 4.556 -0.000 0.000 0.316 90 H C -0.209 175.199 175.328 0.133 0.000 0.986 90 H CA 0.775 56.903 56.048 0.133 0.000 1.397 90 H CB 0.359 30.159 29.762 0.064 0.000 1.377 90 H HN 0.149 nan 8.280 nan 0.000 0.585 91 R N 4.029 124.276 120.500 -0.422 0.000 2.711 91 R HA 0.326 4.666 4.340 -0.000 0.000 0.284 91 R C -0.568 175.490 176.300 -0.403 0.000 0.968 91 R CA -1.106 54.819 56.100 -0.291 0.000 0.924 91 R CB 1.305 31.480 30.300 -0.207 0.000 1.162 91 R HN 0.531 nan 8.270 nan 0.000 0.465 92 I N 3.502 123.956 120.570 -0.192 0.000 2.278 92 I HA 0.126 4.296 4.170 -0.000 0.000 0.296 92 I C -0.067 175.966 176.117 -0.140 0.000 1.121 92 I CA -0.475 60.749 61.300 -0.127 0.000 1.267 92 I CB 0.334 38.304 38.000 -0.050 0.000 1.447 92 I HN 0.279 nan 8.210 nan 0.000 0.509 93 V N 6.513 126.335 119.914 -0.153 0.000 2.530 93 V HA 0.314 4.434 4.120 -0.000 0.000 0.282 93 V C 0.661 176.675 176.094 -0.133 0.000 1.048 93 V CA -0.096 62.107 62.300 -0.161 0.000 0.997 93 V CB 1.224 32.953 31.823 -0.157 0.000 0.987 93 V HN 0.739 nan 8.190 nan 0.000 0.477 94 T N 3.860 118.320 114.554 -0.157 0.000 2.829 94 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 94 T C 0.116 174.701 174.700 -0.192 0.000 0.999 94 T CA -0.326 61.690 62.100 -0.140 0.000 0.983 94 T CB 1.650 70.445 68.868 -0.121 0.000 0.968 94 T HN 0.922 nan 8.240 nan 0.000 0.446 95 A N 3.184 125.906 122.820 -0.163 0.000 2.492 95 A HA 0.451 4.771 4.320 -0.000 0.000 0.254 95 A C 0.598 178.048 177.584 -0.223 0.000 1.091 95 A CA -0.424 51.492 52.037 -0.202 0.000 0.768 95 A CB -0.090 18.842 19.000 -0.113 0.000 1.028 95 A HN 0.592 nan 8.150 nan 0.000 0.498 96 K N 2.654 122.827 120.400 -0.378 0.000 2.185 96 K HA 0.284 4.604 4.320 -0.000 0.000 0.271 96 K C -0.086 176.460 176.600 -0.090 0.000 1.013 96 K CA -0.696 55.416 56.287 -0.291 0.000 0.943 96 K CB 0.954 33.156 32.500 -0.497 0.000 0.998 96 K HN 0.814 nan 8.250 nan 0.000 0.468 97 Q N 1.023 120.824 119.800 0.001 0.000 2.293 97 Q HA 0.536 4.876 4.340 -0.000 0.000 0.263 97 Q C 0.697 176.802 176.000 0.175 0.000 1.002 97 Q CA 0.302 56.152 55.803 0.079 0.000 0.910 97 Q CB 1.008 29.777 28.738 0.052 0.000 1.185 97 Q HN 0.983 nan 8.270 nan 0.000 0.401 98 G N 0.743 109.684 108.800 0.235 0.000 2.340 98 G HA2 0.333 4.293 3.960 -0.000 0.000 0.282 98 G HA3 0.333 4.293 3.960 -0.000 0.000 0.282 98 G C -1.765 173.303 174.900 0.281 0.000 1.312 98 G CA -0.428 44.834 45.100 0.270 0.000 0.942 98 G HN 0.662 nan 8.290 nan 0.000 0.495 99 A N -0.663 122.261 122.820 0.172 0.000 2.276 99 A HA 0.750 5.070 4.320 -0.000 0.000 0.316 99 A C 1.486 178.922 177.584 -0.247 0.000 1.229 99 A CA 0.498 52.541 52.037 0.009 0.000 0.851 99 A CB 1.526 20.525 19.000 -0.002 0.000 1.165 99 A HN 2.153 nan 8.150 nan 0.000 0.513 100 V N 3.225 122.840 119.914 -0.497 0.000 2.317 100 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 100 V C 1.994 177.948 176.094 -0.235 0.000 1.065 100 V CA 2.875 64.716 62.300 -0.766 0.000 1.049 100 V CB -0.721 30.881 31.823 -0.369 0.000 0.651 100 V HN 0.937 nan 8.190 nan 0.000 0.450 101 N N 0.458 119.079 118.700 -0.130 0.000 2.258 101 N HA -0.127 4.613 4.740 -0.000 0.000 0.187 101 N C 1.859 177.306 175.510 -0.106 0.000 1.012 101 N CA 1.792 54.798 53.050 -0.075 0.000 0.870 101 N CB -0.395 38.051 38.487 -0.068 0.000 0.977 101 N HN 0.610 nan 8.380 nan 0.000 0.434 102 S N -0.987 114.627 115.700 -0.144 0.000 2.489 102 S HA 0.099 4.569 4.470 -0.000 0.000 0.228 102 S C 0.870 175.094 174.600 -0.628 0.000 0.995 102 S CA 0.508 58.502 58.200 -0.344 0.000 0.934 102 S CB 0.027 63.017 63.200 -0.350 0.000 0.771 102 S HN 0.358 nan 8.310 nan 0.000 0.522 103 F N -1.369 118.483 119.950 -0.163 0.000 2.871 103 F HA 0.414 4.941 4.527 0.000 0.000 0.344 103 F C -0.368 175.055 175.800 -0.628 0.000 1.078 103 F CA -0.699 57.114 58.000 -0.311 0.000 1.149 103 F CB 0.706 39.565 39.000 -0.235 0.000 1.087 103 F HN 0.012 nan 8.300 nan 0.000 0.557 104 Y N -0.332 119.991 120.300 0.037 0.000 2.477 104 Y HA 0.484 5.034 4.550 -0.000 0.000 0.347 104 Y C 0.012 175.886 175.900 -0.045 0.000 0.981 104 Y CA -1.671 56.433 58.100 0.007 0.000 1.033 104 Y CB 1.698 40.162 38.460 0.007 0.000 1.245 104 Y HN -0.323 nan 8.280 nan 0.000 0.455 105 T N 3.170 117.777 114.554 0.087 0.000 2.762 105 T HA 0.407 4.757 4.350 -0.000 0.000 0.303 105 T C -0.359 174.355 174.700 0.023 0.000 0.977 105 T CA -0.551 61.561 62.100 0.020 0.000 0.961 105 T CB -0.036 68.825 68.868 -0.013 0.000 0.944 105 T HN 0.293 nan 8.240 nan 0.000 0.481 106 V N 3.359 123.269 119.914 -0.007 0.000 2.432 106 V HA 0.324 4.444 4.120 -0.000 0.000 0.275 106 V C 0.821 176.851 176.094 -0.106 0.000 1.043 106 V CA -0.684 61.590 62.300 -0.042 0.000 0.925 106 V CB 1.532 33.320 31.823 -0.059 0.000 0.985 106 V HN 0.885 nan 8.190 nan 0.000 0.466 107 S N 3.863 119.503 115.700 -0.100 0.000 2.528 107 S HA 0.401 4.871 4.470 -0.000 0.000 0.277 107 S C 1.061 175.523 174.600 -0.229 0.000 1.297 107 S CA 0.199 58.332 58.200 -0.112 0.000 1.052 107 S CB 0.983 64.151 63.200 -0.054 0.000 0.917 107 S HN 0.943 nan 8.310 nan 0.000 0.492 108 K N 2.191 122.483 120.400 -0.181 0.000 2.356 108 K HA 0.091 4.411 4.320 -0.000 0.000 0.195 108 K C 1.809 178.370 176.600 -0.065 0.000 1.037 108 K CA 1.107 57.274 56.287 -0.201 0.000 1.014 108 K CB -0.786 31.636 32.500 -0.130 0.000 0.815 108 K HN 0.866 nan 8.250 nan 0.000 0.507 109 T N -2.494 112.047 114.554 -0.023 0.000 3.018 109 T HA 0.177 4.527 4.350 -0.000 0.000 0.246 109 T C 0.597 175.330 174.700 0.055 0.000 1.026 109 T CA 0.032 62.145 62.100 0.021 0.000 1.081 109 T CB 0.192 69.064 68.868 0.007 0.000 0.970 109 T HN 0.399 nan 8.240 nan 0.000 0.475 110 E N 1.091 121.324 120.200 0.055 0.000 1.996 110 E HA 0.483 4.833 4.350 -0.000 0.000 0.280 110 E C -1.127 175.556 176.600 0.139 0.000 1.092 110 E CA -0.239 56.204 56.400 0.073 0.000 0.862 110 E CB 0.401 30.120 29.700 0.032 0.000 1.066 110 E HN 0.516 nan 8.360 nan 0.000 0.396 111 I N 4.336 124.981 120.570 0.126 0.000 2.404 111 I HA 0.134 4.304 4.170 -0.000 0.000 0.293 111 I C 0.799 176.949 176.117 0.055 0.000 0.992 111 I CA -0.307 61.051 61.300 0.096 0.000 1.149 111 I CB 1.419 39.458 38.000 0.065 0.000 1.315 111 I HN 0.505 nan 8.210 nan 0.000 0.446 112 L N 4.713 125.960 121.223 0.039 0.000 2.357 112 L HA 0.456 4.796 4.340 -0.000 0.000 0.211 112 L C 1.006 177.892 176.870 0.026 0.000 1.075 112 L CA 0.077 54.953 54.840 0.061 0.000 0.830 112 L CB -0.135 41.991 42.059 0.111 0.000 0.996 112 L HN 0.747 nan 8.230 nan 0.000 0.467 120 V N 2.847 122.628 119.914 -0.222 0.000 2.384 120 V HA 0.634 4.754 4.120 -0.000 0.000 0.287 120 V C -0.658 175.320 176.094 -0.194 0.000 1.020 120 V CA -0.574 61.639 62.300 -0.144 0.000 0.850 120 V CB 1.131 32.936 31.823 -0.031 0.000 0.987 120 V HN 0.960 nan 8.190 nan 0.000 0.436 121 H N 2.374 121.461 119.070 0.028 0.000 2.492 121 H HA 0.462 5.018 4.556 -0.000 0.000 0.345 121 H C -0.065 175.261 175.328 -0.003 0.000 1.136 121 H CA -0.809 55.246 56.048 0.012 0.000 1.202 121 H CB 1.746 31.508 29.762 0.001 0.000 1.524 121 H HN 0.524 nan 8.280 nan 0.000 0.506 122 K N 1.591 122.052 120.400 0.103 0.000 2.414 122 K HA 0.224 4.544 4.320 -0.000 0.000 0.272 122 K C -0.544 176.034 176.600 -0.037 0.000 0.993 122 K CA 0.126 56.379 56.287 -0.057 0.000 0.964 122 K CB 0.227 32.637 32.500 -0.150 0.000 0.925 122 K HN 0.678 nan 8.250 nan 0.000 0.487 123 C N 0.380 119.633 119.300 -0.078 0.000 3.314 123 C HA 0.671 5.131 4.460 -0.000 0.000 0.344 123 C C -1.606 173.379 174.990 -0.008 0.000 1.461 123 C CA -0.856 58.152 59.018 -0.017 0.000 1.249 123 C CB 1.335 29.094 27.740 0.032 0.000 1.632 123 C HN 0.981 nan 8.230 nan 0.000 0.452 124 E N 0.448 120.689 120.200 0.069 0.000 2.304 124 E HA 0.325 4.675 4.350 -0.000 0.000 0.277 124 E C -1.365 175.325 176.600 0.151 0.000 0.898 124 E CA -0.049 56.390 56.400 0.064 0.000 0.764 124 E CB 1.825 31.529 29.700 0.006 0.000 1.216 124 E HN 0.814 nan 8.360 nan 0.000 0.419 125 E N 2.775 123.052 120.200 0.128 0.000 2.265 125 E HA 0.048 4.398 4.350 -0.000 0.000 0.272 125 E C 0.308 176.850 176.600 -0.097 0.000 1.067 125 E CA 0.208 56.569 56.400 -0.066 0.000 0.900 125 E CB 0.830 30.524 29.700 -0.009 0.000 1.017 125 E HN 0.575 nan 8.360 nan 0.000 0.431 126 T N 3.852 118.310 114.554 -0.160 0.000 2.665 126 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 126 T C 1.613 176.271 174.700 -0.069 0.000 1.035 126 T CA 1.644 63.684 62.100 -0.100 0.000 1.151 126 T CB -0.119 68.675 68.868 -0.124 0.000 0.862 126 T HN 0.629 nan 8.240 nan 0.000 0.438 127 A N 1.166 123.946 122.820 -0.067 0.000 1.969 127 A HA -0.053 4.266 4.320 -0.000 0.000 0.218 127 A C 2.535 180.115 177.584 -0.006 0.000 1.169 127 A CA 2.022 54.043 52.037 -0.027 0.000 0.635 127 A CB -0.682 18.317 19.000 -0.001 0.000 0.810 127 A HN 0.644 nan 8.150 nan 0.000 0.445 128 T N -6.424 108.129 114.554 -0.001 0.000 2.978 128 T HA 0.434 4.784 4.350 -0.000 0.000 0.248 128 T C 1.474 176.183 174.700 0.014 0.000 1.018 128 T CA 1.131 63.243 62.100 0.020 0.000 1.026 128 T CB 0.405 69.301 68.868 0.047 0.000 1.032 128 T HN 1.666 nan 8.240 nan 0.000 0.485 129 G N 1.238 110.039 108.800 0.003 0.000 2.175 129 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 129 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 129 G C -0.102 174.802 174.900 0.007 0.000 0.982 129 G CA 0.018 45.119 45.100 0.003 0.000 0.641 129 G HN 0.764 nan 8.290 nan 0.000 0.527 130 L N 1.618 122.846 121.223 0.009 0.000 2.499 130 L HA 0.489 4.829 4.340 -0.000 0.000 0.273 130 L C 0.665 177.527 176.870 -0.012 0.000 1.195 130 L CA 0.304 55.143 54.840 -0.002 0.000 0.882 130 L CB 0.299 42.335 42.059 -0.039 0.000 1.133 130 L HN 0.200 nan 8.230 nan 0.000 0.483 131 K N 5.992 126.397 120.400 0.009 0.000 2.258 131 K HA 0.548 4.868 4.320 -0.000 0.000 0.284 131 K C -0.853 175.764 176.600 0.029 0.000 1.051 131 K CA -0.215 56.066 56.287 -0.009 0.000 0.923 131 K CB 0.769 33.267 32.500 -0.003 0.000 1.046 131 K HN 0.546 nan 8.250 nan 0.000 0.474 132 L N 0.989 122.203 121.223 -0.015 0.000 2.251 132 L HA 0.727 5.067 4.340 -0.000 0.000 0.244 132 L C -0.961 175.942 176.870 0.054 0.000 1.095 132 L CA -1.184 53.684 54.840 0.047 0.000 0.910 132 L CB 1.876 43.897 42.059 -0.064 0.000 1.516 132 L HN 0.600 nan 8.230 nan 0.000 0.429 133 A N 0.165 123.056 122.820 0.118 0.000 2.386 133 A HA 0.899 5.219 4.320 -0.000 0.000 0.311 133 A C -1.085 176.539 177.584 0.068 0.000 1.068 133 A CA -0.432 51.677 52.037 0.120 0.000 0.743 133 A CB 1.650 20.782 19.000 0.219 0.000 1.258 133 A HN 0.657 nan 8.150 nan 0.000 0.429 134 A N 2.139 124.997 122.820 0.064 0.000 2.285 134 A HA 0.602 4.922 4.320 -0.000 0.000 0.310 134 A C -0.230 177.389 177.584 0.059 0.000 1.266 134 A CA -0.497 51.569 52.037 0.048 0.000 0.832 134 A CB 0.373 19.401 19.000 0.046 0.000 1.163 134 A HN 0.679 nan 8.150 nan 0.000 0.499 135 K N 3.443 123.872 120.400 0.048 0.000 2.268 135 K HA 0.422 4.742 4.320 -0.000 0.000 0.276 135 K C -1.152 175.472 176.600 0.039 0.000 1.080 135 K CA -0.410 55.896 56.287 0.031 0.000 0.910 135 K CB 0.258 32.782 32.500 0.040 0.000 1.163 135 K HN 0.649 nan 8.250 nan 0.000 0.465 136 I N 6.387 126.976 120.570 0.031 0.000 2.322 136 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 136 I C 0.030 176.166 176.117 0.030 0.000 1.060 136 I CA 0.034 61.363 61.300 0.048 0.000 1.309 136 I CB 0.627 38.669 38.000 0.070 0.000 1.415 136 I HN 0.397 nan 8.210 nan 0.000 0.492 137 I N 7.202 127.793 120.570 0.036 0.000 2.307 137 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 137 I C 0.088 176.223 176.117 0.030 0.000 1.021 137 I CA -1.003 60.314 61.300 0.028 0.000 1.224 137 I CB 0.474 38.492 38.000 0.029 0.000 1.376 137 I HN 0.331 nan 8.210 nan 0.000 0.470 138 K N 4.737 125.151 120.400 0.024 0.000 2.368 138 K HA 0.252 4.572 4.320 -0.000 0.000 0.282 138 K C 0.132 176.745 176.600 0.021 0.000 1.035 138 K CA -0.101 56.200 56.287 0.024 0.000 0.973 138 K CB 0.834 33.347 32.500 0.022 0.000 0.957 138 K HN 0.683 nan 8.250 nan 0.000 0.474 139 T N -0.620 113.947 114.554 0.022 0.000 2.864 139 T HA 0.493 4.843 4.350 -0.000 0.000 0.299 139 T C 0.966 175.675 174.700 0.016 0.000 1.011 139 T CA -0.790 61.321 62.100 0.018 0.000 0.975 139 T CB 1.601 70.480 68.868 0.019 0.000 0.962 139 T HN 0.547 nan 8.240 nan 0.000 0.448 140 R N 3.351 123.859 120.500 0.013 0.000 2.056 140 R HA 0.578 4.918 4.340 -0.000 0.000 0.227 140 R C 1.346 177.652 176.300 0.010 0.000 1.149 140 R CA 1.029 57.136 56.100 0.011 0.000 0.937 140 R CB -1.287 29.018 30.300 0.009 0.000 0.835 140 R HN 1.043 nan 8.270 nan 0.000 0.430 141 G N -2.184 106.621 108.800 0.008 0.000 2.552 141 G HA2 0.421 4.381 3.960 -0.000 0.000 0.318 141 G HA3 0.421 4.381 3.960 -0.000 0.000 0.318 141 G C 0.874 175.777 174.900 0.006 0.000 1.240 141 G CA 0.031 45.135 45.100 0.006 0.000 1.002 141 G HN 0.403 nan 8.290 nan 0.000 0.493 142 M N 0.114 119.716 119.600 0.004 0.000 2.159 142 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 142 M C 2.861 179.162 176.300 0.000 0.000 1.063 142 M CA 2.300 57.601 55.300 0.002 0.000 1.110 142 M CB -0.332 32.268 32.600 0.001 0.000 1.374 142 M HN 0.650 nan 8.290 nan 0.000 0.411 143 K N 0.001 120.400 120.400 -0.001 0.000 2.097 143 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 143 K C 1.373 177.972 176.600 -0.002 0.000 1.049 143 K CA 2.102 58.388 56.287 -0.003 0.000 0.933 143 K CB -1.390 31.108 32.500 -0.004 0.000 0.717 143 K HN 0.497 nan 8.250 nan 0.000 0.442 144 D N 0.220 120.621 120.400 0.001 0.000 2.123 144 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 144 D C 1.902 178.205 176.300 0.005 0.000 0.992 144 D CA 1.224 55.226 54.000 0.004 0.000 0.833 144 D CB 0.046 40.850 40.800 0.007 0.000 0.954 144 D HN 0.538 nan 8.370 nan 0.000 0.455 145 K N 0.317 120.720 120.400 0.006 0.000 2.057 145 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 145 K C 1.876 178.477 176.600 0.002 0.000 1.050 145 K CA 0.688 56.979 56.287 0.007 0.000 0.935 145 K CB 0.096 32.600 32.500 0.007 0.000 0.715 145 K HN 0.028 nan 8.250 nan 0.000 0.439 146 E N 1.192 121.391 120.200 -0.002 0.000 2.150 146 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 146 E C 1.732 178.328 176.600 -0.007 0.000 0.985 146 E CA 1.081 57.477 56.400 -0.006 0.000 0.814 146 E CB 0.016 29.711 29.700 -0.008 0.000 0.752 146 E HN 0.378 nan 8.360 nan 0.000 0.466 147 E N 0.032 120.229 120.200 -0.005 0.000 2.106 147 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 147 E C 2.105 178.706 176.600 0.001 0.000 0.984 147 E CA 0.962 57.359 56.400 -0.005 0.000 0.806 147 E CB 0.160 29.857 29.700 -0.004 0.000 0.750 147 E HN 0.046 nan 8.360 nan 0.000 0.458 148 V N 1.333 121.250 119.914 0.005 0.000 2.379 148 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 148 V C 1.998 178.096 176.094 0.007 0.000 1.044 148 V CA 1.543 63.850 62.300 0.012 0.000 1.036 148 V CB -0.321 31.512 31.823 0.016 0.000 0.664 148 V HN 0.135 nan 8.190 nan 0.000 0.453 149 K N 0.529 120.928 120.400 -0.002 0.000 2.209 149 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 149 K C 2.009 178.603 176.600 -0.010 0.000 1.048 149 K CA 1.685 57.966 56.287 -0.010 0.000 0.940 149 K CB -0.277 32.214 32.500 -0.014 0.000 0.729 149 K HN 0.515 nan 8.250 nan 0.000 0.451 150 N N 1.280 119.976 118.700 -0.007 0.000 2.142 150 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 150 N C 1.735 177.244 175.510 -0.002 0.000 1.023 150 N CA 1.233 54.278 53.050 -0.009 0.000 0.852 150 N CB 0.112 38.591 38.487 -0.013 0.000 0.998 150 N HN 0.191 nan 8.380 nan 0.000 0.424 151 E N 0.052 120.258 120.200 0.010 0.000 2.085 151 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 151 E C 1.863 178.476 176.600 0.022 0.000 0.994 151 E CA 1.286 57.705 56.400 0.032 0.000 0.801 151 E CB -0.128 29.604 29.700 0.053 0.000 0.743 151 E HN 0.479 nan 8.360 nan 0.000 0.453 152 I N 0.531 121.108 120.570 0.011 0.000 2.099 152 I HA -0.302 3.868 4.170 -0.000 0.000 0.239 152 I C 2.763 178.872 176.117 -0.013 0.000 1.066 152 I CA 1.352 62.650 61.300 -0.003 0.000 1.324 152 I CB -0.582 37.406 38.000 -0.021 0.000 1.037 152 I HN 0.176 nan 8.210 nan 0.000 0.401 153 S N 0.496 116.188 115.700 -0.014 0.000 2.407 153 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 153 S C 2.002 176.599 174.600 -0.006 0.000 1.036 153 S CA 1.755 59.949 58.200 -0.009 0.000 1.013 153 S CB -0.367 62.828 63.200 -0.009 0.000 0.820 153 S HN 0.255 nan 8.310 nan 0.000 0.476 154 V N 1.934 121.836 119.914 -0.020 0.000 2.346 154 V HA -0.089 4.031 4.120 -0.000 0.000 0.244 154 V C 2.548 178.584 176.094 -0.096 0.000 1.037 154 V CA 2.008 64.280 62.300 -0.046 0.000 1.029 154 V CB -0.623 31.169 31.823 -0.051 0.000 0.663 154 V HN 0.530 nan 8.190 nan 0.000 0.454 155 M N 0.312 119.840 119.600 -0.120 0.000 2.106 155 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 155 M C 2.038 178.377 176.300 0.065 0.000 1.068 155 M CA 1.700 56.924 55.300 -0.126 0.000 1.100 155 M CB -0.847 31.727 32.600 -0.044 0.000 1.351 155 M HN 0.359 nan 8.290 nan 0.000 0.404 156 N N 0.732 119.468 118.700 0.060 0.000 2.322 156 N HA -0.182 4.558 4.740 -0.000 0.000 0.189 156 N C 1.149 176.828 175.510 0.282 0.000 1.012 156 N CA 1.223 54.354 53.050 0.135 0.000 0.880 156 N CB -0.245 38.269 38.487 0.046 0.000 0.967 156 N HN 0.596 nan 8.380 nan 0.000 0.439 157 Q N -0.558 119.319 119.800 0.129 0.000 2.282 157 Q HA 0.275 4.615 4.340 -0.000 0.000 0.206 157 Q C -0.314 175.694 176.000 0.012 0.000 0.878 157 Q CA 0.015 55.861 55.803 0.072 0.000 0.944 157 Q CB 0.794 29.559 28.738 0.045 0.000 1.100 157 Q HN 0.218 nan 8.270 nan 0.000 0.509 158 L N 1.610 122.835 121.223 0.002 0.000 2.337 158 L HA 0.379 4.719 4.340 -0.000 0.000 0.269 158 L C -0.930 175.877 176.870 -0.105 0.000 1.018 158 L CA -0.651 54.185 54.840 -0.007 0.000 0.876 158 L CB 1.104 43.096 42.059 -0.112 0.000 1.236 158 L HN -0.103 nan 8.230 nan 0.000 0.436 159 D N 3.067 123.338 120.400 -0.215 0.000 2.464 159 D HA 0.329 4.969 4.640 -0.000 0.000 0.243 159 D C -1.029 175.147 176.300 -0.207 0.000 1.104 159 D CA 0.098 53.908 54.000 -0.316 0.000 0.883 159 D CB 0.589 41.057 40.800 -0.554 0.000 1.050 159 D HN 0.386 nan 8.370 nan 0.000 0.524 160 H N 2.009 120.922 119.070 -0.261 0.000 3.121 160 H HA 0.342 4.898 4.556 -0.000 0.000 0.337 160 H C -0.361 174.875 175.328 -0.153 0.000 1.198 160 H CA -0.203 55.649 56.048 -0.327 0.000 1.274 160 H CB 1.931 31.359 29.762 -0.557 0.000 1.954 160 H HN 0.269 nan 8.280 nan 0.000 0.531 161 A N 2.986 125.601 122.820 -0.343 0.000 2.067 161 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 161 A C 1.128 178.747 177.584 0.058 0.000 1.158 161 A CA 1.333 53.288 52.037 -0.136 0.000 0.661 161 A CB -0.131 18.742 19.000 -0.210 0.000 0.801 161 A HN 0.629 nan 8.150 nan 0.000 0.452 162 N N -0.492 118.395 118.700 0.311 0.000 2.322 162 N HA 0.219 4.959 4.740 -0.000 0.000 0.194 162 N C -0.552 175.060 175.510 0.169 0.000 1.126 162 N CA 0.322 53.493 53.050 0.202 0.000 0.845 162 N CB 0.209 38.805 38.487 0.181 0.000 0.976 162 N HN 0.421 nan 8.380 nan 0.000 0.475 163 L N 0.757 122.111 121.223 0.217 0.000 2.349 163 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 163 L C -0.083 176.948 176.870 0.269 0.000 0.996 163 L CA -1.083 53.938 54.840 0.303 0.000 0.825 163 L CB 1.928 44.182 42.059 0.325 0.000 1.243 163 L HN -0.140 nan 8.230 nan 0.000 0.412 164 I N 3.064 123.824 120.570 0.317 0.000 2.815 164 I HA -0.055 4.115 4.170 -0.000 0.000 0.291 164 I C 0.101 176.391 176.117 0.289 0.000 1.209 164 I CA 0.734 62.186 61.300 0.254 0.000 1.431 164 I CB 0.342 38.481 38.000 0.232 0.000 1.351 164 I HN 0.551 nan 8.210 nan 0.000 0.585 165 Q N 6.173 126.120 119.800 0.244 0.000 2.282 165 Q HA 0.377 4.717 4.340 -0.000 0.000 0.260 165 Q C -1.014 175.229 176.000 0.405 0.000 0.964 165 Q CA -1.050 54.931 55.803 0.296 0.000 0.880 165 Q CB 1.998 30.853 28.738 0.195 0.000 1.286 165 Q HN 0.517 nan 8.270 nan 0.000 0.445 166 L N 2.068 123.474 121.223 0.306 0.000 2.349 166 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 166 L C 0.045 177.056 176.870 0.234 0.000 1.115 166 L CA 0.424 55.396 54.840 0.220 0.000 0.820 166 L CB 0.486 42.597 42.059 0.088 0.000 1.135 166 L HN 0.660 nan 8.230 nan 0.000 0.445 167 Y N 1.770 122.038 120.300 -0.053 0.000 2.609 167 Y HA 0.342 4.892 4.550 0.000 0.000 0.281 167 Y C 0.221 175.994 175.900 -0.211 0.000 1.132 167 Y CA 0.150 58.059 58.100 -0.317 0.000 1.264 167 Y CB 0.737 38.860 38.460 -0.561 0.000 1.325 167 Y HN 0.700 nan 8.280 nan 0.000 0.514 168 D N -0.860 119.491 120.400 -0.081 0.000 2.671 168 D HA 0.631 5.271 4.640 -0.000 0.000 0.273 168 D C -1.821 174.401 176.300 -0.131 0.000 1.264 168 D CA 0.042 53.943 54.000 -0.166 0.000 0.788 168 D CB 1.964 42.746 40.800 -0.030 0.000 1.324 168 D HN 0.160 nan 8.370 nan 0.000 0.424 169 A N 0.676 123.316 122.820 -0.300 0.000 2.547 169 A HA 0.727 5.047 4.320 -0.000 0.000 0.297 169 A C -1.883 175.418 177.584 -0.472 0.000 1.056 169 A CA -0.559 51.356 52.037 -0.203 0.000 0.688 169 A CB 0.885 19.804 19.000 -0.136 0.000 1.282 169 A HN 0.286 nan 8.150 nan 0.000 0.400 170 F N 0.434 120.370 119.950 -0.023 0.000 2.561 170 F HA 0.558 5.085 4.527 0.000 0.000 0.313 170 F C 0.130 175.937 175.800 0.012 0.000 1.126 170 F CA -0.241 57.762 58.000 0.005 0.000 0.918 170 F CB 2.469 41.493 39.000 0.040 0.000 1.199 170 F HN 0.703 nan 8.300 nan 0.000 0.444 171 E N 2.294 122.589 120.200 0.157 0.000 2.158 171 E HA 0.676 5.026 4.350 -0.000 0.000 0.271 171 E C -1.198 175.468 176.600 0.111 0.000 0.911 171 E CA -0.305 56.154 56.400 0.099 0.000 0.767 171 E CB 1.369 31.095 29.700 0.044 0.000 1.120 171 E HN 0.654 nan 8.360 nan 0.000 0.405 172 S N 2.414 118.168 115.700 0.090 0.000 2.823 172 S HA 0.422 4.892 4.470 -0.000 0.000 0.316 172 S C 1.174 175.805 174.600 0.051 0.000 1.116 172 S CA -0.152 58.092 58.200 0.074 0.000 0.911 172 S CB 1.228 64.470 63.200 0.070 0.000 1.276 172 S HN 0.619 nan 8.310 nan 0.000 0.565 173 K N 0.727 121.152 120.400 0.042 0.000 2.063 173 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 173 K C 1.033 177.650 176.600 0.030 0.000 1.048 173 K CA 2.249 58.555 56.287 0.032 0.000 0.928 173 K CB -0.925 31.592 32.500 0.027 0.000 0.713 173 K HN 0.571 nan 8.250 nan 0.000 0.442 174 N N 0.512 119.232 118.700 0.033 0.000 2.187 174 N HA 0.189 4.929 4.740 -0.000 0.000 0.212 174 N C -1.196 174.333 175.510 0.033 0.000 1.152 174 N CA 0.399 53.467 53.050 0.029 0.000 0.872 174 N CB 0.707 39.210 38.487 0.027 0.000 1.025 174 N HN 0.827 nan 8.380 nan 0.000 0.514 175 D N -1.547 118.877 120.400 0.040 0.000 2.683 175 D HA 0.299 4.939 4.640 -0.000 0.000 0.246 175 D C -1.298 175.036 176.300 0.056 0.000 1.238 175 D CA -0.604 53.423 54.000 0.045 0.000 0.759 175 D CB 1.031 41.860 40.800 0.048 0.000 1.349 175 D HN -0.178 nan 8.370 nan 0.000 0.426 176 I N 0.717 121.320 120.570 0.056 0.000 2.465 176 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 176 I C -0.708 175.456 176.117 0.078 0.000 1.014 176 I CA -1.312 60.029 61.300 0.068 0.000 1.093 176 I CB 2.064 40.091 38.000 0.045 0.000 1.267 176 I HN 0.278 nan 8.210 nan 0.000 0.431 177 V N 7.073 127.056 119.914 0.115 0.000 2.427 177 V HA 0.433 4.553 4.120 -0.000 0.000 0.286 177 V C -0.035 176.125 176.094 0.111 0.000 1.034 177 V CA -0.565 61.803 62.300 0.113 0.000 0.893 177 V CB 1.640 33.539 31.823 0.127 0.000 0.982 177 V HN 0.447 nan 8.190 nan 0.000 0.452 178 L N 5.201 126.468 121.223 0.073 0.000 2.307 178 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 178 L C -0.509 176.385 176.870 0.041 0.000 1.023 178 L CA -0.781 54.094 54.840 0.058 0.000 0.810 178 L CB 1.801 43.898 42.059 0.064 0.000 1.231 178 L HN 0.335 nan 8.230 nan 0.000 0.423 179 V N 4.143 124.064 119.914 0.011 0.000 2.394 179 V HA 0.519 4.639 4.120 -0.000 0.000 0.282 179 V C 0.207 176.346 176.094 0.074 0.000 1.031 179 V CA -0.252 62.026 62.300 -0.036 0.000 0.881 179 V CB 1.427 33.106 31.823 -0.240 0.000 0.982 179 V HN 0.739 nan 8.190 nan 0.000 0.451 180 M N 2.182 121.849 119.600 0.111 0.000 2.658 180 M HA 0.463 4.943 4.480 -0.000 0.000 0.295 180 M C -0.097 176.366 176.300 0.272 0.000 1.248 180 M CA -0.684 54.749 55.300 0.220 0.000 0.843 180 M CB 2.265 34.987 32.600 0.203 0.000 1.749 180 M HN 0.732 nan 8.290 nan 0.000 0.464 181 E N 1.420 121.891 120.200 0.453 0.000 2.708 181 E HA -0.149 4.201 4.350 -0.000 0.000 0.260 181 E C -1.826 174.939 176.600 0.276 0.000 0.937 181 E CA 0.528 57.174 56.400 0.410 0.000 0.953 181 E CB 0.495 30.343 29.700 0.248 0.000 0.915 181 E HN 0.484 nan 8.360 nan 0.000 0.487 182 Y N 4.341 124.716 120.300 0.124 0.000 2.341 182 Y HA 0.392 4.942 4.550 -0.000 0.000 0.337 182 Y C -1.101 174.834 175.900 0.060 0.000 1.014 182 Y CA -0.906 57.241 58.100 0.077 0.000 1.111 182 Y CB 1.203 39.699 38.460 0.059 0.000 1.194 182 Y HN 0.242 nan 8.280 nan 0.000 0.462 183 V N 6.442 125.982 119.914 -0.624 0.000 2.333 183 V HA 0.129 4.249 4.120 -0.000 0.000 0.274 183 V C -0.424 175.118 176.094 -0.921 0.000 1.028 183 V CA -0.820 61.152 62.300 -0.547 0.000 0.851 183 V CB 0.877 32.544 31.823 -0.260 0.000 1.000 183 V HN 0.774 nan 8.190 nan 0.000 0.456 184 D N 4.234 124.235 120.400 -0.666 0.000 2.417 184 D HA 0.398 5.038 4.640 -0.000 0.000 0.250 184 D C 1.171 177.373 176.300 -0.164 0.000 1.166 184 D CA 1.568 55.358 54.000 -0.350 0.000 0.881 184 D CB 0.922 41.715 40.800 -0.013 0.000 1.164 184 D HN 0.959 nan 8.370 nan 0.000 0.467 185 G N 2.877 111.633 108.800 -0.072 0.000 2.221 185 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.265 185 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.265 185 G C 0.645 175.518 174.900 -0.045 0.000 1.041 185 G CA 0.003 45.088 45.100 -0.026 0.000 0.807 185 G HN 0.809 nan 8.290 nan 0.000 0.502 186 G N -1.157 107.595 108.800 -0.079 0.000 2.491 186 G HA2 0.710 4.670 3.960 -0.000 0.000 0.242 186 G HA3 0.710 4.670 3.960 -0.000 0.000 0.242 186 G C -0.044 174.843 174.900 -0.022 0.000 1.266 186 G CA 0.938 46.005 45.100 -0.054 0.000 0.844 186 G HN 1.520 nan 8.290 nan 0.000 0.571 187 E N 1.801 121.992 120.200 -0.016 0.000 2.246 187 E HA 0.554 4.904 4.350 -0.000 0.000 0.266 187 E C -0.080 176.510 176.600 -0.016 0.000 0.880 187 E CA -0.828 55.558 56.400 -0.024 0.000 0.762 187 E CB 1.106 30.778 29.700 -0.047 0.000 1.180 187 E HN 0.612 nan 8.360 nan 0.000 0.416 188 L N 1.575 122.791 121.223 -0.011 0.000 2.461 188 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 188 L C 1.067 177.941 176.870 0.007 0.000 1.197 188 L CA -0.118 54.731 54.840 0.014 0.000 0.836 188 L CB 0.399 42.460 42.059 0.003 0.000 1.105 188 L HN 0.877 nan 8.230 nan 0.000 0.477 189 F N 1.199 121.061 119.950 -0.146 0.000 2.502 189 F HA -0.166 4.361 4.527 0.000 0.000 0.298 189 F C 2.092 177.812 175.800 -0.134 0.000 1.111 189 F CA 1.126 59.014 58.000 -0.186 0.000 1.445 189 F CB -0.161 38.710 39.000 -0.214 0.000 1.081 189 F HN 0.684 nan 8.300 nan 0.000 0.558 190 D N -0.563 119.846 120.400 0.015 0.000 2.178 190 D HA -0.178 4.462 4.640 -0.000 0.000 0.202 190 D C 2.106 178.376 176.300 -0.050 0.000 0.974 190 D CA 1.057 55.059 54.000 0.004 0.000 0.841 190 D CB -0.679 40.141 40.800 0.033 0.000 0.953 190 D HN 0.232 nan 8.370 nan 0.000 0.478 191 R N -0.392 120.057 120.500 -0.085 0.000 2.062 191 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 191 R C 2.384 178.568 176.300 -0.194 0.000 1.136 191 R CA 0.866 56.902 56.100 -0.107 0.000 0.948 191 R CB -0.421 29.823 30.300 -0.093 0.000 0.845 191 R HN 0.152 nan 8.270 nan 0.000 0.430 192 I N 0.886 121.253 120.570 -0.339 0.000 2.248 192 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 192 I C 2.139 178.027 176.117 -0.380 0.000 1.107 192 I CA 1.495 62.504 61.300 -0.487 0.000 1.373 192 I CB -0.169 37.228 38.000 -1.006 0.000 1.055 192 I HN 0.160 nan 8.210 nan 0.000 0.418 193 I N -0.216 120.178 120.570 -0.294 0.000 2.286 193 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 193 I C 1.926 177.996 176.117 -0.079 0.000 1.104 193 I CA 1.055 62.269 61.300 -0.144 0.000 1.397 193 I CB -0.479 37.503 38.000 -0.031 0.000 1.072 193 I HN 0.179 nan 8.210 nan 0.000 0.417 194 D N 1.013 121.379 120.400 -0.057 0.000 2.228 194 D HA -0.202 4.438 4.640 -0.000 0.000 0.203 194 D C 1.197 177.490 176.300 -0.011 0.000 0.988 194 D CA 1.352 55.351 54.000 -0.001 0.000 0.864 194 D CB -0.170 40.636 40.800 0.010 0.000 0.928 194 D HN 0.461 nan 8.370 nan 0.000 0.469 195 E N -0.314 119.771 120.200 -0.191 0.000 2.499 195 E HA 0.051 4.401 4.350 -0.000 0.000 0.207 195 E C 1.413 177.605 176.600 -0.680 0.000 1.034 195 E CA -0.196 55.871 56.400 -0.554 0.000 1.098 195 E CB 0.470 29.881 29.700 -0.482 0.000 1.148 195 E HN 0.105 nan 8.360 nan 0.000 0.447 196 S N 0.153 115.665 115.700 -0.314 0.000 2.440 196 S HA -0.281 4.189 4.470 -0.000 0.000 0.240 196 S C 1.976 176.482 174.600 -0.155 0.000 1.014 196 S CA 1.091 59.179 58.200 -0.186 0.000 0.980 196 S CB -0.675 62.486 63.200 -0.065 0.000 0.775 196 S HN 0.621 nan 8.310 nan 0.000 0.499 197 Y N 1.500 121.775 120.300 -0.042 0.000 2.403 197 Y HA 0.184 4.734 4.550 0.000 0.000 0.291 197 Y C 1.910 177.793 175.900 -0.027 0.000 1.143 197 Y CA 0.540 58.617 58.100 -0.038 0.000 1.257 197 Y CB -1.149 37.289 38.460 -0.036 0.000 0.984 197 Y HN 0.122 nan 8.280 nan 0.000 0.550 198 N N 0.991 119.481 118.700 -0.350 0.000 2.244 198 N HA -0.015 4.725 4.740 -0.000 0.000 0.183 198 N C 0.013 175.471 175.510 -0.088 0.000 1.016 198 N CA 0.708 53.645 53.050 -0.189 0.000 0.866 198 N CB -0.176 38.142 38.487 -0.281 0.000 0.980 198 N HN 0.366 nan 8.380 nan 0.000 0.430 199 L N 1.135 122.309 121.223 -0.083 0.000 2.292 199 L HA 0.237 4.577 4.340 -0.000 0.000 0.284 199 L C 1.015 177.878 176.870 -0.012 0.000 1.065 199 L CA -0.631 54.191 54.840 -0.029 0.000 0.806 199 L CB 1.139 43.202 42.059 0.007 0.000 1.175 199 L HN 0.046 nan 8.230 nan 0.000 0.431 200 T N -2.018 112.526 114.554 -0.016 0.000 2.754 200 T HA 0.059 4.409 4.350 -0.000 0.000 0.286 200 T C 0.952 175.656 174.700 0.007 0.000 0.997 200 T CA -0.417 61.678 62.100 -0.007 0.000 0.982 200 T CB 1.236 70.090 68.868 -0.023 0.000 1.027 200 T HN 0.768 nan 8.240 nan 0.000 0.529 201 E N -0.501 119.718 120.200 0.032 0.000 2.110 201 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 201 E C 1.896 178.493 176.600 -0.005 0.000 0.988 201 E CA 0.621 57.071 56.400 0.084 0.000 0.804 201 E CB -0.179 29.611 29.700 0.151 0.000 0.745 201 E HN 0.550 nan 8.360 nan 0.000 0.458 202 L N 1.714 122.896 121.223 -0.068 0.000 2.046 202 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 202 L C 1.537 178.265 176.870 -0.238 0.000 1.077 202 L CA 1.953 56.682 54.840 -0.184 0.000 0.747 202 L CB -0.582 41.386 42.059 -0.151 0.000 0.896 202 L HN 0.124 nan 8.230 nan 0.000 0.432 203 D N -1.154 119.141 120.400 -0.175 0.000 2.123 203 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 203 D C 2.049 178.232 176.300 -0.194 0.000 0.992 203 D CA 1.910 55.772 54.000 -0.231 0.000 0.833 203 D CB -0.238 40.487 40.800 -0.125 0.000 0.954 203 D HN 0.349 nan 8.370 nan 0.000 0.455 204 T N 0.889 115.427 114.554 -0.027 0.000 2.737 204 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 204 T C 2.229 176.844 174.700 -0.142 0.000 1.038 204 T CA 0.326 62.483 62.100 0.096 0.000 1.144 204 T CB -0.189 68.785 68.868 0.176 0.000 0.866 204 T HN 0.119 nan 8.240 nan 0.000 0.434 205 I N 0.932 121.253 120.570 -0.416 0.000 2.118 205 I HA -0.220 3.950 4.170 -0.000 0.000 0.241 205 I C 2.239 178.036 176.117 -0.534 0.000 1.070 205 I CA 1.445 62.253 61.300 -0.821 0.000 1.327 205 I CB -0.356 37.099 38.000 -0.908 0.000 1.034 205 I HN 0.231 nan 8.210 nan 0.000 0.405 206 L N -0.849 120.121 121.223 -0.422 0.000 2.083 206 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 206 L C 2.516 179.250 176.870 -0.226 0.000 1.083 206 L CA 1.264 55.893 54.840 -0.352 0.000 0.752 206 L CB -0.624 41.199 42.059 -0.393 0.000 0.899 206 L HN 0.140 nan 8.230 nan 0.000 0.433 207 F N -0.646 119.239 119.950 -0.108 0.000 2.186 207 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 207 F C 2.540 178.302 175.800 -0.064 0.000 1.090 207 F CA 1.084 59.078 58.000 -0.009 0.000 1.307 207 F CB -0.443 38.657 39.000 0.166 0.000 1.019 207 F HN 0.023 nan 8.300 nan 0.000 0.489 208 M N -0.086 119.548 119.600 0.057 0.000 2.175 208 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 208 M C 2.075 178.339 176.300 -0.060 0.000 1.063 208 M CA 1.420 56.698 55.300 -0.036 0.000 1.119 208 M CB -1.181 31.315 32.600 -0.173 0.000 1.377 208 M HN 0.070 nan 8.290 nan 0.000 0.415 209 K N -0.288 120.041 120.400 -0.119 0.000 2.074 209 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 209 K C 2.152 178.744 176.600 -0.012 0.000 1.048 209 K CA 1.179 57.427 56.287 -0.064 0.000 0.926 209 K CB -0.005 32.439 32.500 -0.093 0.000 0.713 209 K HN 0.378 nan 8.250 nan 0.000 0.444 210 Q N 0.327 120.126 119.800 -0.002 0.000 2.049 210 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 210 Q C 2.264 178.262 176.000 -0.004 0.000 0.971 210 Q CA 1.169 56.986 55.803 0.022 0.000 0.833 210 Q CB -0.145 28.626 28.738 0.055 0.000 0.896 210 Q HN 0.377 nan 8.270 nan 0.000 0.434 211 I N 0.412 120.962 120.570 -0.032 0.000 2.163 211 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 211 I C 2.572 178.654 176.117 -0.058 0.000 1.085 211 I CA 1.034 62.281 61.300 -0.090 0.000 1.347 211 I CB -0.483 37.436 38.000 -0.134 0.000 1.044 211 I HN 0.182 nan 8.210 nan 0.000 0.408 212 C N 0.303 119.600 119.300 -0.005 0.000 2.413 212 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 212 C C 2.778 177.758 174.990 -0.017 0.000 1.248 212 C CA 0.599 59.627 59.018 0.016 0.000 1.742 212 C CB -0.988 26.807 27.740 0.092 0.000 2.017 212 C HN 0.484 nan 8.230 nan 0.000 0.481 213 E N 0.655 120.852 120.200 -0.006 0.000 2.070 213 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 213 E C 2.388 178.899 176.600 -0.149 0.000 1.004 213 E CA 1.864 58.258 56.400 -0.009 0.000 0.805 213 E CB -0.874 28.870 29.700 0.074 0.000 0.744 213 E HN 0.696 nan 8.360 nan 0.000 0.451 214 G N 1.327 110.030 108.800 -0.161 0.000 2.446 214 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 214 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 214 G C 1.599 176.406 174.900 -0.156 0.000 1.168 214 G CA 0.729 45.691 45.100 -0.230 0.000 0.771 214 G HN 0.169 nan 8.290 nan 0.000 0.551 215 I N 0.651 121.132 120.570 -0.148 0.000 2.252 215 I HA -0.036 4.134 4.170 -0.000 0.000 0.245 215 I C 2.619 178.549 176.117 -0.313 0.000 1.102 215 I CA 0.830 61.985 61.300 -0.242 0.000 1.385 215 I CB -0.977 36.866 38.000 -0.262 0.000 1.064 215 I HN 0.201 nan 8.210 nan 0.000 0.414 216 R N 0.088 120.488 120.500 -0.166 0.000 2.091 216 R HA -0.256 4.084 4.340 -0.000 0.000 0.238 216 R C 2.454 178.725 176.300 -0.048 0.000 1.136 216 R CA 1.936 57.985 56.100 -0.084 0.000 0.959 216 R CB -0.388 29.904 30.300 -0.012 0.000 0.856 216 R HN 0.391 nan 8.270 nan 0.000 0.437 217 H N -0.029 118.943 119.070 -0.163 0.000 2.357 217 H HA -0.034 4.522 4.556 0.000 0.000 0.301 217 H C 2.143 177.449 175.328 -0.038 0.000 1.082 217 H CA 2.314 58.284 56.048 -0.130 0.000 1.342 217 H CB -0.046 29.526 29.762 -0.316 0.000 1.389 217 H HN 0.129 nan 8.280 nan 0.000 0.511 218 M N -0.790 118.822 119.600 0.020 0.000 2.080 218 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 218 M C 2.091 178.520 176.300 0.215 0.000 1.068 218 M CA 2.007 57.371 55.300 0.107 0.000 1.109 218 M CB -0.477 32.234 32.600 0.185 0.000 1.342 218 M HN 0.539 nan 8.290 nan 0.000 0.405 219 H N -0.283 118.845 119.070 0.096 0.000 2.389 219 H HA -0.168 4.388 4.556 0.000 0.000 0.299 219 H C 2.239 177.539 175.328 -0.047 0.000 1.081 219 H CA 1.358 57.463 56.048 0.094 0.000 1.345 219 H CB -0.080 29.672 29.762 -0.016 0.000 1.393 219 H HN 0.537 nan 8.280 nan 0.000 0.520 220 Q N 0.522 120.330 119.800 0.014 0.000 2.436 220 Q HA -0.077 4.263 4.340 -0.000 0.000 0.209 220 Q C 1.181 177.138 176.000 -0.071 0.000 0.965 220 Q CA 0.672 56.434 55.803 -0.068 0.000 0.910 220 Q CB 0.199 28.877 28.738 -0.100 0.000 0.980 220 Q HN 0.337 nan 8.270 nan 0.000 0.491 221 M N -0.357 119.203 119.600 -0.067 0.000 2.505 221 M HA 0.074 4.554 4.480 -0.000 0.000 0.230 221 M C -0.659 175.780 176.300 0.232 0.000 1.153 221 M CA -0.022 55.272 55.300 -0.009 0.000 0.997 221 M CB -0.876 31.663 32.600 -0.102 0.000 1.606 221 M HN 0.265 nan 8.290 nan 0.000 0.481 222 Y N -0.084 120.289 120.300 0.123 0.000 3.929 222 Y HA -0.233 4.317 4.550 -0.000 0.000 0.225 222 Y C -0.474 175.623 175.900 0.329 0.000 1.200 222 Y CA -0.092 58.180 58.100 0.287 0.000 1.791 222 Y CB -1.954 36.618 38.460 0.188 0.000 1.561 222 Y HN 0.250 nan 8.280 nan 0.000 0.657 223 I N 1.081 121.887 120.570 0.393 0.000 2.509 223 I HA 0.382 4.552 4.170 -0.000 0.000 0.293 223 I C -0.210 176.094 176.117 0.312 0.000 1.020 223 I CA -0.840 60.610 61.300 0.250 0.000 1.088 223 I CB 1.566 39.671 38.000 0.174 0.000 1.267 223 I HN -0.097 nan 8.210 nan 0.000 0.430 224 L N 4.793 126.096 121.223 0.134 0.000 2.309 224 L HA 0.382 4.722 4.340 -0.000 0.000 0.282 224 L C 1.092 178.082 176.870 0.200 0.000 1.036 224 L CA -0.608 54.316 54.840 0.141 0.000 0.806 224 L CB 1.342 43.358 42.059 -0.071 0.000 1.220 224 L HN 0.681 nan 8.230 nan 0.000 0.429 225 H N 4.091 123.284 119.070 0.205 0.000 2.306 225 H HA 0.077 4.633 4.556 -0.000 0.000 0.307 225 H C 1.431 176.822 175.328 0.106 0.000 1.061 225 H CA 1.475 57.631 56.048 0.181 0.000 1.359 225 H CB 0.465 30.321 29.762 0.156 0.000 1.407 225 H HN 0.622 nan 8.280 nan 0.000 0.517 226 L N 0.053 121.426 121.223 0.250 0.000 4.950 226 L HA -0.237 4.103 4.340 -0.000 0.000 0.413 226 L C -0.293 176.665 176.870 0.147 0.000 1.020 226 L CA 1.021 55.941 54.840 0.133 0.000 1.239 226 L CB -1.259 40.819 42.059 0.031 0.000 2.004 226 L HN 0.333 nan 8.230 nan 0.000 0.658 227 D N -0.161 120.429 120.400 0.316 0.000 2.822 227 D HA 0.236 4.876 4.640 -0.000 0.000 0.327 227 D C -0.220 176.202 176.300 0.203 0.000 1.577 227 D CA -0.370 53.755 54.000 0.209 0.000 0.785 227 D CB 0.482 41.333 40.800 0.085 0.000 1.199 227 D HN 0.076 nan 8.370 nan 0.000 0.443 228 L N 2.498 123.801 121.223 0.133 0.000 2.600 228 L HA 0.255 4.595 4.340 -0.000 0.000 0.278 228 L C -0.054 176.714 176.870 -0.171 0.000 1.139 228 L CA 0.775 55.515 54.840 -0.166 0.000 0.933 228 L CB -0.534 41.415 42.059 -0.183 0.000 1.266 228 L HN 0.084 nan 8.230 nan 0.000 0.471 229 K N 3.454 123.679 120.400 -0.292 0.000 2.533 229 K HA 0.568 4.888 4.320 -0.000 0.000 0.272 229 K C -2.666 173.693 176.600 -0.401 0.000 0.985 229 K CA -1.798 54.173 56.287 -0.526 0.000 0.876 229 K CB 0.936 32.855 32.500 -0.969 0.000 1.452 229 K HN -0.082 nan 8.250 nan 0.000 0.439 230 P HA -0.290 nan 4.420 nan 0.000 0.216 230 P C 0.804 178.049 177.300 -0.092 0.000 1.154 230 P CA 1.769 64.803 63.100 -0.110 0.000 0.865 230 P CB 0.003 31.710 31.700 0.011 0.000 0.789 231 E N -1.241 118.873 120.200 -0.143 0.000 2.472 231 E HA -0.124 4.226 4.350 -0.000 0.000 0.200 231 E C 0.793 177.337 176.600 -0.094 0.000 1.046 231 E CA 0.701 57.051 56.400 -0.083 0.000 0.871 231 E CB -0.800 28.862 29.700 -0.063 0.000 0.806 231 E HN 0.217 nan 8.360 nan 0.000 0.533 232 N N 0.488 119.102 118.700 -0.143 0.000 2.214 232 N HA 0.265 5.005 4.740 -0.000 0.000 0.214 232 N C -0.633 174.761 175.510 -0.193 0.000 1.132 232 N CA 0.160 53.122 53.050 -0.147 0.000 0.856 232 N CB 0.762 39.174 38.487 -0.125 0.000 1.020 232 N HN 0.222 nan 8.380 nan 0.000 0.509 233 I N 0.910 121.370 120.570 -0.184 0.000 2.498 233 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 233 I C -1.009 175.048 176.117 -0.101 0.000 1.032 233 I CA -0.973 60.182 61.300 -0.242 0.000 1.073 233 I CB 2.452 40.152 38.000 -0.501 0.000 1.251 233 I HN -0.243 nan 8.210 nan 0.000 0.426 234 L N 6.827 128.004 121.223 -0.076 0.000 2.296 234 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 234 L C -0.362 176.545 176.870 0.062 0.000 1.023 234 L CA -0.248 54.597 54.840 0.010 0.000 0.812 234 L CB 1.350 43.398 42.059 -0.018 0.000 1.223 234 L HN 0.774 nan 8.230 nan 0.000 0.421 235 C N 5.802 125.185 119.300 0.137 0.000 2.416 235 C HA 0.271 4.731 4.460 -0.000 0.000 0.355 235 C C 1.737 176.776 174.990 0.082 0.000 1.211 235 C CA -0.513 58.594 59.018 0.148 0.000 1.699 235 C CB -0.827 26.937 27.740 0.040 0.000 2.310 235 C HN 0.827 nan 8.230 nan 0.000 0.539 236 V N 5.352 125.317 119.914 0.084 0.000 2.261 236 V HA -0.055 4.065 4.120 -0.000 0.000 0.246 236 V C 1.292 177.408 176.094 0.037 0.000 1.047 236 V CA 1.887 64.206 62.300 0.032 0.000 1.015 236 V CB -0.445 31.392 31.823 0.023 0.000 0.642 236 V HN 0.939 nan 8.190 nan 0.000 0.446 237 N N -1.202 117.547 118.700 0.082 0.000 2.425 237 N HA 0.201 4.941 4.740 -0.000 0.000 0.289 237 N C 0.614 176.195 175.510 0.118 0.000 1.074 237 N CA -0.629 52.459 53.050 0.063 0.000 0.905 237 N CB 1.549 40.051 38.487 0.025 0.000 1.586 237 N HN -0.038 nan 8.380 nan 0.000 0.490 238 R N 1.534 122.095 120.500 0.102 0.000 2.075 238 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 238 R C 0.439 176.748 176.300 0.014 0.000 1.126 238 R CA 1.248 57.432 56.100 0.139 0.000 0.963 238 R CB -0.046 30.305 30.300 0.085 0.000 0.858 238 R HN 0.611 nan 8.270 nan 0.000 0.435 239 D N 0.676 121.065 120.400 -0.019 0.000 2.097 239 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 239 D C 1.650 177.890 176.300 -0.099 0.000 0.984 239 D CA 1.396 55.359 54.000 -0.063 0.000 0.826 239 D CB -0.153 40.621 40.800 -0.042 0.000 0.973 239 D HN 0.172 nan 8.370 nan 0.000 0.460 240 A N 0.008 122.785 122.820 -0.071 0.000 2.209 240 A HA -0.040 4.280 4.320 -0.000 0.000 0.212 240 A C 0.630 178.136 177.584 -0.130 0.000 1.158 240 A CA 0.458 52.446 52.037 -0.083 0.000 0.742 240 A CB -0.115 18.858 19.000 -0.045 0.000 0.790 240 A HN 0.049 nan 8.150 nan 0.000 0.472 241 K N -0.666 119.626 120.400 -0.179 0.000 3.125 241 K HA -0.152 4.168 4.320 -0.000 0.000 0.268 241 K C -0.573 176.010 176.600 -0.029 0.000 1.078 241 K CA 0.987 57.048 56.287 -0.377 0.000 0.775 241 K CB -2.283 29.861 32.500 -0.594 0.000 1.253 241 K HN 0.823 nan 8.250 nan 0.000 0.486 242 Q N -0.000 119.881 119.800 0.135 0.000 2.282 242 Q HA 0.704 5.044 4.340 -0.000 0.000 0.260 242 Q C 0.237 176.359 176.000 0.203 0.000 0.964 242 Q CA -1.089 54.792 55.803 0.131 0.000 0.880 242 Q CB 1.489 30.258 28.738 0.053 0.000 1.286 242 Q HN 0.393 nan 8.270 nan 0.000 0.445 243 I N -2.029 118.622 120.570 0.136 0.000 2.934 243 I HA 0.649 4.819 4.170 -0.000 0.000 0.306 243 I C -1.313 174.813 176.117 0.014 0.000 1.110 243 I CA -0.797 60.545 61.300 0.069 0.000 1.019 243 I CB 2.165 40.153 38.000 -0.019 0.000 1.227 243 I HN 0.317 nan 8.210 nan 0.000 0.434 244 K N 4.319 124.704 120.400 -0.025 0.000 2.535 244 K HA 0.585 4.905 4.320 -0.000 0.000 0.250 244 K C -1.391 175.166 176.600 -0.071 0.000 0.948 244 K CA -0.547 55.730 56.287 -0.016 0.000 0.796 244 K CB 2.224 34.730 32.500 0.010 0.000 1.216 244 K HN 0.613 nan 8.250 nan 0.000 0.432 245 I N 5.167 125.696 120.570 -0.068 0.000 2.517 245 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 245 I C 0.952 176.963 176.117 -0.176 0.000 1.106 245 I CA 0.030 61.226 61.300 -0.172 0.000 1.402 245 I CB 0.323 38.220 38.000 -0.172 0.000 1.399 245 I HN 0.598 nan 8.210 nan 0.000 0.535 246 I N 1.500 121.937 120.570 -0.222 0.000 4.025 246 I HA 0.389 4.559 4.170 -0.000 0.000 0.336 246 I C 0.069 176.074 176.117 -0.186 0.000 1.390 246 I CA 0.222 61.441 61.300 -0.134 0.000 1.099 246 I CB 0.038 38.006 38.000 -0.053 0.000 1.049 246 I HN 0.404 nan 8.210 nan 0.000 0.394 247 D N 0.574 120.729 120.400 -0.409 0.000 2.947 247 D HA 0.332 4.972 4.640 -0.000 0.000 0.224 247 D C -1.290 174.645 176.300 -0.608 0.000 1.230 247 D CA -0.388 53.425 54.000 -0.313 0.000 0.871 247 D CB 1.735 42.454 40.800 -0.136 0.000 1.671 247 D HN 0.008 nan 8.370 nan 0.000 0.507 248 F N 1.565 121.501 119.950 -0.023 0.000 2.790 248 F HA 0.309 4.836 4.527 0.000 0.000 0.371 248 F C 1.742 177.455 175.800 -0.144 0.000 1.293 248 F CA -0.589 57.320 58.000 -0.153 0.000 1.205 248 F CB 1.352 40.318 39.000 -0.057 0.000 1.047 248 F HN 0.519 nan 8.300 nan 0.000 0.510 249 G N 0.395 109.178 108.800 -0.029 0.000 2.442 249 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 249 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 249 G C 1.380 176.262 174.900 -0.030 0.000 1.141 249 G CA 0.917 46.009 45.100 -0.013 0.000 0.763 249 G HN 0.413 nan 8.290 nan 0.000 0.554 250 L N 0.262 121.439 121.223 -0.077 0.000 2.664 250 L HA 0.409 4.749 4.340 -0.000 0.000 0.233 250 L C 1.672 178.499 176.870 -0.071 0.000 1.113 250 L CA -0.342 54.460 54.840 -0.065 0.000 0.896 250 L CB 0.098 42.124 42.059 -0.054 0.000 1.163 250 L HN 0.195 nan 8.230 nan 0.000 0.497 251 A N 2.124 124.889 122.820 -0.092 0.000 2.507 251 A HA 0.369 4.689 4.320 -0.000 0.000 0.235 251 A C 0.369 177.944 177.584 -0.015 0.000 1.070 251 A CA 0.402 52.416 52.037 -0.039 0.000 0.768 251 A CB 0.120 19.154 19.000 0.057 0.000 1.011 251 A HN 0.514 nan 8.150 nan 0.000 0.502 252 R N 0.737 121.230 120.500 -0.011 0.000 2.690 252 R HA 0.520 4.860 4.340 -0.000 0.000 0.269 252 R C -0.792 175.492 176.300 -0.027 0.000 1.037 252 R CA -0.994 55.088 56.100 -0.030 0.000 0.877 252 R CB 0.937 31.198 30.300 -0.064 0.000 1.255 252 R HN 0.712 nan 8.270 nan 0.000 0.467 253 R N 1.305 121.792 120.500 -0.022 0.000 2.590 253 R HA 0.027 4.367 4.340 -0.000 0.000 0.274 253 R C -0.774 175.469 176.300 -0.095 0.000 1.061 253 R CA -0.215 55.888 56.100 0.005 0.000 1.081 253 R CB 0.304 30.629 30.300 0.041 0.000 0.984 253 R HN 0.649 nan 8.270 nan 0.000 0.448 254 Y N 3.940 124.079 120.300 -0.269 0.000 2.620 254 Y HA 0.097 4.647 4.550 -0.000 0.000 0.330 254 Y C -0.842 174.859 175.900 -0.332 0.000 1.186 254 Y CA 0.644 58.456 58.100 -0.480 0.000 1.467 254 Y CB 0.481 38.414 38.460 -0.879 0.000 1.262 254 Y HN 0.471 nan 8.280 nan 0.000 0.550 255 K N 7.417 127.032 120.400 -1.308 0.000 2.435 255 K HA 0.440 4.760 4.320 -0.000 0.000 0.251 255 K C -2.787 173.025 176.600 -1.315 0.000 0.954 255 K CA -2.150 53.445 56.287 -1.153 0.000 0.820 255 K CB 1.868 34.043 32.500 -0.543 0.000 1.292 255 K HN 0.386 nan 8.250 nan 0.000 0.436 256 P HA 0.110 nan 4.420 nan 0.000 0.272 256 P C -0.863 176.076 177.300 -0.602 0.000 1.223 256 P CA -0.139 62.657 63.100 -0.507 0.000 0.784 256 P CB 0.422 31.959 31.700 -0.272 0.000 0.923 257 R N -1.528 118.426 120.500 -0.910 0.000 3.532 257 R HA -0.196 4.144 4.340 -0.000 0.000 0.284 257 R C -0.262 175.573 176.300 -0.776 0.000 1.140 257 R CA 0.365 55.494 56.100 -1.618 0.000 0.768 257 R CB -1.937 27.732 30.300 -1.052 0.000 1.252 257 R HN 0.508 nan 8.270 nan 0.000 0.454 258 E N 1.863 121.802 120.200 -0.435 0.000 2.052 258 E HA 0.192 4.542 4.350 -0.000 0.000 0.283 258 E C -0.516 176.156 176.600 0.120 0.000 1.071 258 E CA -0.130 56.180 56.400 -0.150 0.000 0.851 258 E CB 0.704 30.275 29.700 -0.214 0.000 1.066 258 E HN 0.105 nan 8.360 nan 0.000 0.396 259 K N 4.262 124.763 120.400 0.168 0.000 2.182 259 K HA 0.400 4.720 4.320 -0.000 0.000 0.262 259 K C -0.697 175.917 176.600 0.024 0.000 0.957 259 K CA -0.642 55.742 56.287 0.161 0.000 0.842 259 K CB 0.724 33.358 32.500 0.224 0.000 1.099 259 K HN 0.480 nan 8.250 nan 0.000 0.438 260 L N 3.444 124.633 121.223 -0.056 0.000 2.357 260 L HA 0.369 4.709 4.340 -0.000 0.000 0.273 260 L C 0.057 176.840 176.870 -0.144 0.000 1.080 260 L CA -0.729 54.051 54.840 -0.099 0.000 0.803 260 L CB 1.330 43.315 42.059 -0.124 0.000 1.174 260 L HN 0.544 nan 8.230 nan 0.000 0.443 261 K N 1.427 121.774 120.400 -0.088 0.000 2.234 261 K HA 0.523 4.843 4.320 -0.000 0.000 0.282 261 K C -0.959 175.564 176.600 -0.128 0.000 1.039 261 K CA -0.191 56.054 56.287 -0.070 0.000 0.928 261 K CB 1.755 34.246 32.500 -0.015 0.000 1.039 261 K HN 0.274 nan 8.250 nan 0.000 0.470 262 V N 3.317 123.119 119.914 -0.188 0.000 3.049 262 V HA 0.451 4.571 4.120 -0.000 0.000 0.309 262 V C -1.634 174.327 176.094 -0.221 0.000 1.148 262 V CA -0.822 61.352 62.300 -0.209 0.000 0.990 262 V CB 2.398 34.041 31.823 -0.299 0.000 1.039 262 V HN 0.789 nan 8.190 nan 0.000 0.430 263 N N 3.202 121.811 118.700 -0.151 0.000 2.319 263 N HA 0.510 5.250 4.740 -0.000 0.000 0.305 263 N C -0.257 175.246 175.510 -0.012 0.000 1.103 263 N CA -0.389 52.579 53.050 -0.137 0.000 0.815 263 N CB 1.925 40.394 38.487 -0.031 0.000 1.288 263 N HN 0.702 nan 8.380 nan 0.000 0.493 264 F N -0.481 119.493 119.950 0.040 0.000 2.693 264 F HA 0.239 4.766 4.527 -0.000 0.000 0.303 264 F C 1.775 177.593 175.800 0.029 0.000 1.097 264 F CA -0.680 57.339 58.000 0.031 0.000 1.330 264 F CB 0.589 39.610 39.000 0.036 0.000 1.067 264 F HN 0.432 nan 8.300 nan 0.000 0.565 265 G N 0.495 109.403 108.800 0.181 0.000 2.334 265 G HA2 0.220 4.180 3.960 -0.000 0.000 0.261 265 G HA3 0.220 4.180 3.960 -0.000 0.000 0.261 265 G C 0.343 175.313 174.900 0.117 0.000 1.257 265 G CA -0.012 45.161 45.100 0.121 0.000 0.935 265 G HN 0.223 nan 8.290 nan 0.000 0.480 266 T N 3.121 117.730 114.554 0.093 0.000 3.247 266 T HA -0.134 4.216 4.350 -0.000 0.000 0.434 266 T C -1.569 173.185 174.700 0.090 0.000 0.770 266 T CA 0.743 62.890 62.100 0.078 0.000 2.236 266 T CB -0.565 68.358 68.868 0.092 0.000 1.678 266 T HN 0.679 nan 8.240 nan 0.000 0.645 267 P HA 0.172 nan 4.420 nan 0.000 0.269 267 P C 1.168 178.461 177.300 -0.012 0.000 1.478 267 P CA -0.155 62.980 63.100 0.059 0.000 1.045 267 P CB 0.306 32.021 31.700 0.026 0.000 1.512 268 E N -0.423 119.710 120.200 -0.113 0.000 2.331 268 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 268 E C 0.467 176.901 176.600 -0.276 0.000 1.008 268 E CA 1.019 57.271 56.400 -0.246 0.000 0.843 268 E CB -0.741 28.692 29.700 -0.444 0.000 0.761 268 E HN 0.189 nan 8.360 nan 0.000 0.507 269 F N 1.186 121.215 119.950 0.132 0.000 2.749 269 F HA 0.295 4.822 4.527 -0.000 0.000 0.300 269 F C 0.919 176.814 175.800 0.160 0.000 1.103 269 F CA -0.241 57.856 58.000 0.162 0.000 1.342 269 F CB 0.201 39.273 39.000 0.121 0.000 1.098 269 F HN -0.131 nan 8.300 nan 0.000 0.586 270 L N 0.794 122.133 121.223 0.193 0.000 2.416 270 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 270 L C 0.732 177.502 176.870 -0.166 0.000 1.161 270 L CA -0.732 54.134 54.840 0.043 0.000 0.845 270 L CB 0.368 42.429 42.059 0.003 0.000 1.119 270 L HN 0.019 nan 8.230 nan 0.000 0.464 271 A N 5.807 128.422 122.820 -0.343 0.000 2.351 271 A HA 0.378 4.698 4.320 -0.000 0.000 0.257 271 A C -1.407 175.715 177.584 -0.769 0.000 1.087 271 A CA -1.233 50.236 52.037 -0.947 0.000 0.798 271 A CB 0.062 18.674 19.000 -0.645 0.000 1.033 271 A HN 0.635 nan 8.150 nan 0.000 0.488 272 P HA -0.191 nan 4.420 nan 0.000 0.220 272 P C 0.989 178.080 177.300 -0.348 0.000 1.148 272 P CA 1.484 64.234 63.100 -0.584 0.000 0.803 272 P CB 0.072 31.431 31.700 -0.568 0.000 0.782 273 E N 0.226 120.231 120.200 -0.325 0.000 2.204 273 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 273 E C 1.802 178.296 176.600 -0.175 0.000 0.989 273 E CA 0.968 57.251 56.400 -0.196 0.000 0.824 273 E CB -1.234 28.378 29.700 -0.145 0.000 0.756 273 E HN 0.123 nan 8.360 nan 0.000 0.477 274 V N 1.406 121.197 119.914 -0.205 0.000 2.446 274 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 274 V C 2.641 178.642 176.094 -0.155 0.000 1.039 274 V CA 1.083 63.271 62.300 -0.187 0.000 1.045 274 V CB -0.131 31.603 31.823 -0.147 0.000 0.681 274 V HN 0.085 nan 8.190 nan 0.000 0.459 275 V N 0.739 120.597 119.914 -0.093 0.000 2.407 275 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 275 V C 1.998 178.189 176.094 0.163 0.000 1.055 275 V CA 2.235 64.567 62.300 0.053 0.000 1.049 275 V CB -0.804 30.903 31.823 -0.193 0.000 0.662 275 V HN 0.663 nan 8.190 nan 0.000 0.455 276 N N -0.826 117.891 118.700 0.029 0.000 2.434 276 N HA -0.087 4.653 4.740 -0.000 0.000 0.196 276 N C -0.220 175.395 175.510 0.175 0.000 1.183 276 N CA -0.116 52.990 53.050 0.093 0.000 0.849 276 N CB 0.025 38.504 38.487 -0.013 0.000 0.992 276 N HN 0.535 nan 8.380 nan 0.000 0.460 277 Y N 0.293 120.574 120.300 -0.032 0.000 3.225 277 Y HA -0.285 4.265 4.550 -0.000 0.000 0.211 277 Y C -0.113 175.685 175.900 -0.171 0.000 1.223 277 Y CA 0.441 58.496 58.100 -0.076 0.000 1.284 277 Y CB -1.838 36.583 38.460 -0.065 0.000 1.367 277 Y HN 0.249 nan 8.280 nan 0.000 0.566 278 D N -0.813 119.511 120.400 -0.126 0.000 2.478 278 D HA 0.384 5.024 4.640 -0.000 0.000 0.263 278 D C 0.397 176.558 176.300 -0.232 0.000 1.153 278 D CA -0.487 53.336 54.000 -0.294 0.000 1.038 278 D CB 0.381 41.058 40.800 -0.206 0.000 1.120 278 D HN -0.127 nan 8.370 nan 0.000 0.564 279 F N 0.177 120.105 119.950 -0.036 0.000 2.459 279 F HA 0.202 4.729 4.527 0.000 0.000 0.346 279 F C 0.852 176.611 175.800 -0.070 0.000 1.128 279 F CA -0.950 57.016 58.000 -0.057 0.000 1.268 279 F CB 0.210 39.182 39.000 -0.048 0.000 1.161 279 F HN -0.098 nan 8.300 nan 0.000 0.583 280 V N -0.510 119.477 119.914 0.122 0.000 2.713 280 V HA 0.893 5.013 4.120 -0.000 0.000 0.307 280 V C -0.172 175.912 176.094 -0.018 0.000 1.052 280 V CA -0.407 61.902 62.300 0.015 0.000 0.967 280 V CB 1.374 33.180 31.823 -0.030 0.000 1.019 280 V HN 0.844 nan 8.190 nan 0.000 0.459 281 S N 0.897 116.562 115.700 -0.058 0.000 2.815 281 S HA 0.532 5.002 4.470 -0.000 0.000 0.296 281 S C 0.354 174.802 174.600 -0.253 0.000 1.224 281 S CA -0.217 57.871 58.200 -0.187 0.000 0.938 281 S CB 0.640 63.802 63.200 -0.063 0.000 1.285 281 S HN 0.596 nan 8.310 nan 0.000 0.549 282 F N 1.632 121.469 119.950 -0.189 0.000 2.120 282 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 282 F C -0.914 174.834 175.800 -0.088 0.000 1.095 282 F CA 1.702 59.475 58.000 -0.378 0.000 1.249 282 F CB -1.817 36.829 39.000 -0.591 0.000 0.995 282 F HN 0.420 nan 8.300 nan 0.000 0.480 283 P HA -0.100 nan 4.420 nan 0.000 0.225 283 P C 1.390 178.797 177.300 0.178 0.000 1.148 283 P CA 1.649 64.846 63.100 0.163 0.000 0.779 283 P CB -0.315 31.457 31.700 0.120 0.000 0.780 284 T N -0.868 113.758 114.554 0.119 0.000 2.788 284 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 284 T C 1.277 176.098 174.700 0.201 0.000 1.044 284 T CA 1.493 63.659 62.100 0.110 0.000 1.139 284 T CB -0.774 68.117 68.868 0.038 0.000 0.867 284 T HN 0.181 nan 8.240 nan 0.000 0.454 285 D N 0.765 121.313 120.400 0.247 0.000 2.183 285 D HA 0.029 4.669 4.640 -0.000 0.000 0.203 285 D C 2.040 178.497 176.300 0.262 0.000 0.969 285 D CA 0.696 54.867 54.000 0.285 0.000 0.842 285 D CB -0.147 40.899 40.800 0.411 0.000 0.957 285 D HN 0.240 nan 8.370 nan 0.000 0.484 286 M N -0.326 119.442 119.600 0.280 0.000 2.229 286 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 286 M C 2.046 178.461 176.300 0.193 0.000 1.063 286 M CA 0.591 56.016 55.300 0.209 0.000 1.114 286 M CB -1.006 31.703 32.600 0.182 0.000 1.387 286 M HN 0.307 nan 8.290 nan 0.000 0.420 287 W N 1.360 122.695 121.300 0.058 0.000 2.318 287 W HA -0.210 4.450 4.660 -0.000 0.000 0.313 287 W C 1.896 178.446 176.519 0.053 0.000 1.221 287 W CA 1.928 59.292 57.345 0.032 0.000 1.266 287 W CB -0.554 28.914 29.460 0.013 0.000 1.150 287 W HN 0.195 nan 8.180 nan 0.000 0.496 288 S N 0.737 116.622 115.700 0.309 0.000 2.383 288 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 288 S C 1.882 176.532 174.600 0.082 0.000 1.026 288 S CA 1.484 59.807 58.200 0.206 0.000 0.981 288 S CB -0.639 62.683 63.200 0.204 0.000 0.818 288 S HN 0.134 nan 8.310 nan 0.000 0.472 289 V N 1.799 121.763 119.914 0.083 0.000 2.287 289 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 289 V C 2.640 178.790 176.094 0.093 0.000 1.053 289 V CA 2.022 64.377 62.300 0.092 0.000 1.027 289 V CB -1.530 30.367 31.823 0.123 0.000 0.646 289 V HN 0.585 nan 8.190 nan 0.000 0.447 290 G N -0.303 108.486 108.800 -0.019 0.000 2.446 290 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 290 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 290 G C 1.689 176.510 174.900 -0.132 0.000 1.168 290 G CA 1.321 46.345 45.100 -0.127 0.000 0.771 290 G HN 0.375 nan 8.290 nan 0.000 0.551 291 V N 1.041 120.844 119.914 -0.185 0.000 2.255 291 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 291 V C 2.807 178.969 176.094 0.112 0.000 1.051 291 V CA 1.868 64.124 62.300 -0.074 0.000 1.018 291 V CB -0.453 31.407 31.823 0.062 0.000 0.641 291 V HN 0.390 nan 8.190 nan 0.000 0.445 292 I N 0.251 120.902 120.570 0.135 0.000 2.208 292 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 292 I C 2.616 178.861 176.117 0.213 0.000 1.097 292 I CA 1.605 63.008 61.300 0.171 0.000 1.363 292 I CB -0.567 37.488 38.000 0.093 0.000 1.051 292 I HN 0.283 nan 8.210 nan 0.000 0.413 293 A N -0.071 122.879 122.820 0.217 0.000 1.883 293 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 293 A C 2.320 180.051 177.584 0.245 0.000 1.186 293 A CA 1.805 54.003 52.037 0.270 0.000 0.624 293 A CB -1.258 17.921 19.000 0.298 0.000 0.822 293 A HN 0.546 nan 8.150 nan 0.000 0.444 294 Y N 0.007 120.344 120.300 0.061 0.000 2.114 294 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 294 Y C 2.447 178.452 175.900 0.175 0.000 1.165 294 Y CA 2.395 60.563 58.100 0.113 0.000 1.148 294 Y CB -0.230 38.193 38.460 -0.061 0.000 0.972 294 Y HN 0.296 nan 8.280 nan 0.000 0.504 295 M N -0.619 119.227 119.600 0.411 0.000 2.132 295 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 295 M C 2.122 178.520 176.300 0.164 0.000 1.065 295 M CA 1.460 56.938 55.300 0.297 0.000 1.122 295 M CB -0.322 32.440 32.600 0.269 0.000 1.365 295 M HN 0.321 nan 8.290 nan 0.000 0.411 296 L N -0.085 121.239 121.223 0.169 0.000 2.083 296 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 296 L C 2.247 179.161 176.870 0.073 0.000 1.083 296 L CA 1.016 55.927 54.840 0.118 0.000 0.752 296 L CB -0.445 41.730 42.059 0.194 0.000 0.899 296 L HN 0.327 nan 8.230 nan 0.000 0.433 297 L N -1.061 120.210 121.223 0.080 0.000 2.217 297 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 297 L C 2.354 179.079 176.870 -0.242 0.000 1.107 297 L CA 1.395 56.229 54.840 -0.011 0.000 0.783 297 L CB -0.162 41.941 42.059 0.074 0.000 0.919 297 L HN 0.389 nan 8.230 nan 0.000 0.442 298 S N -2.792 112.736 115.700 -0.287 0.000 2.631 298 S HA 0.248 4.718 4.470 -0.000 0.000 0.246 298 S C 1.463 175.968 174.600 -0.159 0.000 1.068 298 S CA 0.430 58.359 58.200 -0.452 0.000 0.995 298 S CB 1.132 63.789 63.200 -0.905 0.000 0.944 298 S HN 0.356 nan 8.310 nan 0.000 0.529 299 G N 1.401 110.184 108.800 -0.028 0.000 2.179 299 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 299 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 299 G C -0.117 174.833 174.900 0.083 0.000 0.977 299 G CA 0.568 45.689 45.100 0.035 0.000 0.641 299 G HN 0.587 nan 8.290 nan 0.000 0.533 300 L N 0.844 122.148 121.223 0.134 0.000 2.322 300 L HA 0.674 5.014 4.340 -0.000 0.000 0.279 300 L C 0.770 177.795 176.870 0.257 0.000 1.036 300 L CA -0.711 54.250 54.840 0.202 0.000 0.807 300 L CB 1.996 44.207 42.059 0.253 0.000 1.226 300 L HN 0.125 nan 8.230 nan 0.000 0.433 301 S N 3.081 118.836 115.700 0.093 0.000 2.448 301 S HA 0.256 4.726 4.470 -0.000 0.000 0.279 301 S C -1.250 173.192 174.600 -0.264 0.000 1.195 301 S CA -1.402 56.764 58.200 -0.057 0.000 1.051 301 S CB 0.812 63.949 63.200 -0.104 0.000 0.948 301 S HN 0.424 nan 8.310 nan 0.000 0.493 302 P HA -0.059 nan 4.420 nan 0.000 0.218 302 P C 0.394 177.101 177.300 -0.987 0.000 1.148 302 P CA 1.332 63.624 63.100 -1.348 0.000 0.822 302 P CB -0.011 30.477 31.700 -2.019 0.000 0.784 303 F N -2.067 117.750 119.950 -0.221 0.000 2.682 303 F HA 0.267 4.794 4.527 0.000 0.000 0.308 303 F C 1.085 176.837 175.800 -0.079 0.000 1.093 303 F CA -0.810 57.137 58.000 -0.088 0.000 1.244 303 F CB -0.411 38.575 39.000 -0.022 0.000 1.052 303 F HN -0.221 nan 8.300 nan 0.000 0.573 304 L N 1.132 122.355 121.223 -0.000 0.000 2.499 304 L HA 0.458 4.798 4.340 -0.000 0.000 0.273 304 L C 0.626 177.503 176.870 0.011 0.000 1.195 304 L CA 0.407 55.240 54.840 -0.012 0.000 0.882 304 L CB 0.075 42.107 42.059 -0.045 0.000 1.133 304 L HN 0.184 nan 8.230 nan 0.000 0.483 305 G N 2.348 111.158 108.800 0.017 0.000 3.108 305 G HA2 0.256 4.216 3.960 -0.000 0.000 0.268 305 G HA3 0.256 4.216 3.960 -0.000 0.000 0.268 305 G C -0.002 174.906 174.900 0.013 0.000 1.361 305 G CA -0.307 44.805 45.100 0.019 0.000 1.047 305 G HN 0.577 nan 8.290 nan 0.000 0.540 306 D N -0.620 119.788 120.400 0.015 0.000 2.310 306 D HA 0.012 4.652 4.640 -0.000 0.000 0.212 306 D C 0.713 177.021 176.300 0.013 0.000 0.965 306 D CA 1.189 55.197 54.000 0.014 0.000 0.879 306 D CB 0.083 40.891 40.800 0.014 0.000 0.921 306 D HN 0.545 nan 8.370 nan 0.000 0.510 307 N N -1.700 117.008 118.700 0.012 0.000 3.106 307 N HA 0.082 4.822 4.740 -0.000 0.000 0.253 307 N C -0.183 175.333 175.510 0.009 0.000 1.506 307 N CA -0.622 52.435 53.050 0.013 0.000 0.876 307 N CB 0.798 39.294 38.487 0.015 0.000 1.452 307 N HN -0.464 nan 8.380 nan 0.000 0.542 308 D N -0.223 120.185 120.400 0.013 0.000 2.097 308 D HA -0.059 4.581 4.640 -0.000 0.000 0.195 308 D C 1.860 178.149 176.300 -0.017 0.000 0.989 308 D CA 2.083 56.088 54.000 0.008 0.000 0.827 308 D CB -0.687 40.134 40.800 0.036 0.000 0.966 308 D HN 0.641 nan 8.370 nan 0.000 0.456 309 A N 0.776 123.592 122.820 -0.007 0.000 1.940 309 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 309 A C 2.097 179.664 177.584 -0.027 0.000 1.176 309 A CA 1.598 53.621 52.037 -0.023 0.000 0.631 309 A CB -0.535 18.464 19.000 -0.002 0.000 0.814 309 A HN 0.212 nan 8.150 nan 0.000 0.446 310 E N -0.998 119.197 120.200 -0.009 0.000 2.152 310 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 310 E C 1.845 178.450 176.600 0.008 0.000 0.983 310 E CA 1.358 57.759 56.400 0.002 0.000 0.818 310 E CB -0.025 29.682 29.700 0.011 0.000 0.758 310 E HN 0.607 nan 8.360 nan 0.000 0.467 311 T N 1.208 115.762 114.554 -0.001 0.000 2.812 311 T HA -0.077 4.273 4.350 -0.000 0.000 0.264 311 T C 1.915 176.601 174.700 -0.023 0.000 1.042 311 T CA 0.620 62.726 62.100 0.011 0.000 1.140 311 T CB -0.074 68.788 68.868 -0.010 0.000 0.870 311 T HN 0.125 nan 8.240 nan 0.000 0.445 312 L N 1.426 122.592 121.223 -0.096 0.000 2.046 312 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 312 L C 2.764 179.562 176.870 -0.121 0.000 1.077 312 L CA 1.057 55.784 54.840 -0.188 0.000 0.747 312 L CB -0.621 41.257 42.059 -0.303 0.000 0.896 312 L HN 0.333 nan 8.230 nan 0.000 0.432 313 N N 0.403 119.066 118.700 -0.062 0.000 2.061 313 N HA -0.233 4.507 4.740 -0.000 0.000 0.193 313 N C 1.541 177.066 175.510 0.024 0.000 1.030 313 N CA 1.672 54.709 53.050 -0.022 0.000 0.856 313 N CB -0.073 38.413 38.487 -0.002 0.000 1.023 313 N HN 0.395 nan 8.380 nan 0.000 0.424 314 N N 1.181 119.928 118.700 0.079 0.000 2.120 314 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 314 N C 2.040 177.675 175.510 0.209 0.000 1.024 314 N CA 0.785 53.965 53.050 0.217 0.000 0.852 314 N CB -0.407 38.279 38.487 0.332 0.000 1.003 314 N HN 0.394 nan 8.380 nan 0.000 0.424 315 I N 1.197 121.759 120.570 -0.013 0.000 2.163 315 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 315 I C 2.035 178.045 176.117 -0.179 0.000 1.085 315 I CA 1.033 62.161 61.300 -0.286 0.000 1.347 315 I CB -0.282 37.510 38.000 -0.347 0.000 1.044 315 I HN 0.040 nan 8.210 nan 0.000 0.408 316 L N 0.364 121.514 121.223 -0.121 0.000 2.217 316 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 316 L C 2.470 179.331 176.870 -0.015 0.000 1.107 316 L CA 0.806 55.592 54.840 -0.090 0.000 0.783 316 L CB -0.512 41.493 42.059 -0.090 0.000 0.919 316 L HN 0.211 nan 8.230 nan 0.000 0.442 317 A N -1.604 121.237 122.820 0.035 0.000 2.251 317 A HA -0.028 4.292 4.320 -0.000 0.000 0.209 317 A C 1.433 179.102 177.584 0.141 0.000 1.187 317 A CA 0.181 52.260 52.037 0.070 0.000 0.823 317 A CB -0.645 18.396 19.000 0.068 0.000 0.846 317 A HN 0.531 nan 8.150 nan 0.000 0.486 318 C N 0.200 119.626 119.300 0.210 0.000 3.744 318 C HA -0.165 4.295 4.460 -0.000 0.000 0.290 318 C C 0.661 175.976 174.990 0.541 0.000 1.385 318 C CA 0.775 60.060 59.018 0.446 0.000 2.099 318 C CB -2.610 25.376 27.740 0.410 0.000 1.359 318 C HN 0.590 nan 8.230 nan 0.000 0.629 319 R N 2.480 123.291 120.500 0.519 0.000 2.204 319 R HA 0.603 4.943 4.340 -0.000 0.000 0.341 319 R C -0.010 176.481 176.300 0.318 0.000 1.035 319 R CA -0.194 56.077 56.100 0.285 0.000 0.887 319 R CB 0.505 30.908 30.300 0.172 0.000 1.114 319 R HN 0.804 nan 8.270 nan 0.000 0.473 320 W N 2.791 124.081 121.300 -0.017 0.000 3.066 320 W HA 0.429 5.089 4.660 -0.000 0.000 0.330 320 W C -1.831 174.624 176.519 -0.107 0.000 1.253 320 W CA -1.184 56.028 57.345 -0.221 0.000 1.187 320 W CB 0.572 29.703 29.460 -0.548 0.000 1.434 320 W HN 0.610 nan 8.180 nan 0.000 0.572 321 D N -0.686 119.748 120.400 0.056 0.000 2.665 321 D HA 0.524 5.164 4.640 -0.000 0.000 0.287 321 D C -1.098 175.202 176.300 0.001 0.000 1.266 321 D CA -0.905 53.010 54.000 -0.143 0.000 0.830 321 D CB 1.712 42.409 40.800 -0.172 0.000 1.356 321 D HN 0.274 nan 8.370 nan 0.000 0.437 322 L N 0.028 121.133 121.223 -0.196 0.000 3.154 322 L HA 0.399 4.739 4.340 -0.000 0.000 0.266 322 L C 0.846 177.668 176.870 -0.081 0.000 1.300 322 L CA -0.227 54.336 54.840 -0.462 0.000 1.028 322 L CB 0.066 41.780 42.059 -0.576 0.000 1.412 322 L HN 0.453 nan 8.230 nan 0.000 0.564 323 E N -0.314 119.902 120.200 0.027 0.000 2.447 323 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 323 E C -0.036 176.641 176.600 0.129 0.000 1.028 323 E CA -0.137 56.300 56.400 0.061 0.000 0.876 323 E CB 0.487 30.197 29.700 0.017 0.000 0.885 323 E HN 0.444 nan 8.360 nan 0.000 0.500 324 D N 0.904 121.445 120.400 0.234 0.000 2.390 324 D HA -0.086 4.554 4.640 -0.000 0.000 0.236 324 D C 0.987 177.360 176.300 0.121 0.000 1.189 324 D CA 0.351 54.460 54.000 0.182 0.000 0.887 324 D CB 0.766 41.688 40.800 0.203 0.000 1.198 324 D HN -0.052 nan 8.370 nan 0.000 0.444 325 E N 0.797 121.017 120.200 0.033 0.000 2.268 325 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 325 E C 1.173 177.744 176.600 -0.050 0.000 0.995 325 E CA 1.109 57.511 56.400 0.004 0.000 0.836 325 E CB 0.095 29.791 29.700 -0.006 0.000 0.763 325 E HN 0.372 nan 8.360 nan 0.000 0.491 326 E N -0.869 119.239 120.200 -0.153 0.000 2.160 326 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 326 E C 1.073 177.459 176.600 -0.357 0.000 0.991 326 E CA 1.109 57.324 56.400 -0.309 0.000 0.810 326 E CB -0.249 29.148 29.700 -0.505 0.000 0.742 326 E HN 0.349 nan 8.360 nan 0.000 0.466 327 F N 0.041 119.945 119.950 -0.077 0.000 2.797 327 F HA 0.090 4.617 4.527 0.000 0.000 0.302 327 F C 2.098 177.868 175.800 -0.049 0.000 1.130 327 F CA 0.066 58.014 58.000 -0.087 0.000 1.387 327 F CB 0.049 38.976 39.000 -0.122 0.000 1.107 327 F HN -0.055 nan 8.300 nan 0.000 0.577 328 Q N 0.744 120.601 119.800 0.095 0.000 2.170 328 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 328 Q C 1.047 177.077 176.000 0.051 0.000 0.976 328 Q CA 1.694 57.535 55.803 0.065 0.000 0.858 328 Q CB -0.331 28.428 28.738 0.036 0.000 0.907 328 Q HN 0.187 nan 8.270 nan 0.000 0.433 329 D N -0.357 120.067 120.400 0.040 0.000 2.340 329 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 329 D C 0.323 176.656 176.300 0.055 0.000 1.081 329 D CA -0.032 53.990 54.000 0.037 0.000 0.842 329 D CB 0.034 40.847 40.800 0.022 0.000 0.934 329 D HN 0.463 nan 8.370 nan 0.000 0.511 330 I N -1.133 119.482 120.570 0.075 0.000 2.677 330 I HA 0.319 4.489 4.170 -0.000 0.000 0.305 330 I C 0.829 176.994 176.117 0.080 0.000 0.988 330 I CA -0.970 60.385 61.300 0.092 0.000 1.260 330 I CB 1.185 39.253 38.000 0.114 0.000 1.410 330 I HN -0.235 nan 8.210 nan 0.000 0.523 331 S N 2.410 118.170 115.700 0.101 0.000 2.584 331 S HA 0.112 4.582 4.470 -0.000 0.000 0.270 331 S C 0.838 175.470 174.600 0.054 0.000 1.346 331 S CA -0.353 57.907 58.200 0.100 0.000 1.018 331 S CB 1.100 64.407 63.200 0.179 0.000 0.899 331 S HN 0.738 nan 8.310 nan 0.000 0.542 332 E N 1.631 121.867 120.200 0.060 0.000 2.153 332 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 332 E C 1.834 178.469 176.600 0.059 0.000 0.988 332 E CA 1.397 57.824 56.400 0.045 0.000 0.811 332 E CB -0.462 29.267 29.700 0.050 0.000 0.746 332 E HN 0.808 nan 8.360 nan 0.000 0.466 333 E N 1.164 121.432 120.200 0.113 0.000 2.038 333 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 333 E C 2.015 178.627 176.600 0.021 0.000 1.000 333 E CA 1.419 57.949 56.400 0.216 0.000 0.803 333 E CB -0.495 29.418 29.700 0.355 0.000 0.750 333 E HN 0.272 nan 8.360 nan 0.000 0.448 334 A N 1.255 123.842 122.820 -0.387 0.000 1.884 334 A HA -0.353 3.967 4.320 -0.000 0.000 0.219 334 A C 1.980 179.252 177.584 -0.521 0.000 1.197 334 A CA 2.348 53.731 52.037 -1.091 0.000 0.637 334 A CB -0.601 17.939 19.000 -0.767 0.000 0.827 334 A HN 0.161 nan 8.150 nan 0.000 0.450 335 K N -0.804 119.457 120.400 -0.232 0.000 2.063 335 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 335 K C 2.200 178.779 176.600 -0.034 0.000 1.048 335 K CA 1.656 57.872 56.287 -0.117 0.000 0.928 335 K CB -0.176 32.286 32.500 -0.063 0.000 0.713 335 K HN 0.742 nan 8.250 nan 0.000 0.442 336 E N 0.408 120.621 120.200 0.021 0.000 2.072 336 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 336 E C 1.845 178.443 176.600 -0.002 0.000 0.985 336 E CA 0.779 57.232 56.400 0.089 0.000 0.801 336 E CB -0.109 29.719 29.700 0.213 0.000 0.750 336 E HN 0.237 nan 8.360 nan 0.000 0.452 337 F N 1.402 121.187 119.950 -0.274 0.000 2.025 337 F HA -0.267 4.260 4.527 0.000 0.000 0.297 337 F C 2.074 177.701 175.800 -0.289 0.000 1.132 337 F CA 2.142 59.853 58.000 -0.481 0.000 1.191 337 F CB -0.254 38.479 39.000 -0.444 0.000 0.963 337 F HN 0.015 nan 8.300 nan 0.000 0.481 338 I N -0.407 120.131 120.570 -0.054 0.000 2.264 338 I HA -0.347 3.822 4.170 -0.000 0.000 0.248 338 I C 2.297 178.315 176.117 -0.165 0.000 1.111 338 I CA 1.553 62.756 61.300 -0.162 0.000 1.382 338 I CB -0.694 37.168 38.000 -0.229 0.000 1.060 338 I HN 0.091 nan 8.210 nan 0.000 0.418 339 S N 0.223 115.951 115.700 0.048 0.000 2.469 339 S HA -0.097 4.373 4.470 -0.000 0.000 0.238 339 S C 1.661 176.316 174.600 0.093 0.000 0.998 339 S CA 0.985 59.319 58.200 0.223 0.000 0.957 339 S CB -0.139 63.172 63.200 0.184 0.000 0.764 339 S HN 0.404 nan 8.310 nan 0.000 0.514 340 K N 0.254 120.618 120.400 -0.059 0.000 2.374 340 K HA 0.304 4.624 4.320 -0.000 0.000 0.196 340 K C 0.912 177.462 176.600 -0.084 0.000 1.023 340 K CA 0.177 56.426 56.287 -0.064 0.000 1.103 340 K CB 0.279 32.693 32.500 -0.143 0.000 0.848 340 K HN 0.350 nan 8.250 nan 0.000 0.528 341 L N -0.370 120.773 121.223 -0.133 0.000 2.663 341 L HA 0.179 4.519 4.340 -0.000 0.000 0.218 341 L C 0.801 177.605 176.870 -0.110 0.000 1.043 341 L CA 0.011 54.779 54.840 -0.121 0.000 0.876 341 L CB 0.292 42.220 42.059 -0.219 0.000 1.263 341 L HN -0.031 nan 8.230 nan 0.000 0.486 342 L N 2.959 124.005 121.223 -0.295 0.000 2.437 342 L HA 0.258 4.598 4.340 -0.000 0.000 0.243 342 L C -0.620 176.378 176.870 0.212 0.000 1.346 342 L CA 0.294 54.858 54.840 -0.460 0.000 1.233 342 L CB -0.611 40.729 42.059 -1.198 0.000 1.436 342 L HN 0.177 nan 8.230 nan 0.000 0.416 343 I N 0.887 121.684 120.570 0.378 0.000 2.465 343 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 343 I C 1.080 177.474 176.117 0.461 0.000 1.014 343 I CA -0.557 60.990 61.300 0.411 0.000 1.093 343 I CB 2.466 40.649 38.000 0.305 0.000 1.267 343 I HN 0.292 nan 8.210 nan 0.000 0.431 344 K N 3.809 124.417 120.400 0.348 0.000 2.026 344 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 344 K C 0.706 177.387 176.600 0.134 0.000 1.048 344 K CA 1.474 57.875 56.287 0.190 0.000 0.929 344 K CB 0.175 32.745 32.500 0.116 0.000 0.713 344 K HN 0.575 nan 8.250 nan 0.000 0.439 345 E N 1.193 121.517 120.200 0.207 0.000 2.180 345 E HA 0.017 4.367 4.350 -0.000 0.000 0.283 345 E C 0.185 176.940 176.600 0.257 0.000 1.061 345 E CA 0.117 56.657 56.400 0.234 0.000 0.861 345 E CB 1.126 31.035 29.700 0.348 0.000 1.056 345 E HN 0.079 nan 8.360 nan 0.000 0.407 346 K N 2.104 122.589 120.400 0.141 0.000 2.032 346 K HA -0.198 4.122 4.320 -0.000 0.000 0.218 346 K C 1.565 178.220 176.600 0.091 0.000 1.054 346 K CA 2.079 58.433 56.287 0.111 0.000 0.941 346 K CB -0.168 32.366 32.500 0.055 0.000 0.720 346 K HN 0.474 nan 8.250 nan 0.000 0.449 347 S N -0.280 115.414 115.700 -0.011 0.000 2.493 347 S HA -0.136 4.334 4.470 -0.000 0.000 0.243 347 S C 1.086 175.511 174.600 -0.291 0.000 0.991 347 S CA 1.006 59.089 58.200 -0.195 0.000 0.957 347 S CB -0.262 62.713 63.200 -0.375 0.000 0.756 347 S HN 0.387 nan 8.310 nan 0.000 0.521 348 W N 1.571 122.909 121.300 0.062 0.000 3.114 348 W HA 0.249 4.909 4.660 0.000 0.000 0.279 348 W C 0.766 177.320 176.519 0.058 0.000 1.277 348 W CA -0.837 56.544 57.345 0.060 0.000 1.630 348 W CB 0.203 29.703 29.460 0.066 0.000 1.087 348 W HN -0.048 nan 8.180 nan 0.000 0.637 349 R N 1.837 122.477 120.500 0.234 0.000 2.543 349 R HA 0.231 4.571 4.340 -0.000 0.000 0.277 349 R C 0.567 176.926 176.300 0.098 0.000 1.074 349 R CA -0.461 55.735 56.100 0.161 0.000 1.076 349 R CB 0.419 30.817 30.300 0.164 0.000 0.993 349 R HN 0.051 nan 8.270 nan 0.000 0.459 350 I N -0.902 119.696 120.570 0.048 0.000 2.882 350 I HA 0.112 4.282 4.170 -0.000 0.000 0.286 350 I C 0.708 176.847 176.117 0.036 0.000 1.139 350 I CA -0.531 60.784 61.300 0.026 0.000 1.379 350 I CB 0.897 38.884 38.000 -0.022 0.000 1.410 350 I HN 0.571 nan 8.210 nan 0.000 0.594 351 S N 3.660 119.387 115.700 0.045 0.000 2.661 351 S HA 0.515 4.985 4.470 -0.000 0.000 0.265 351 S C 1.186 175.838 174.600 0.086 0.000 1.225 351 S CA -0.270 57.974 58.200 0.073 0.000 0.986 351 S CB 1.331 64.553 63.200 0.036 0.000 1.008 351 S HN 0.928 nan 8.310 nan 0.000 0.565 352 A N 0.866 123.760 122.820 0.124 0.000 1.902 352 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 352 A C 2.460 180.091 177.584 0.079 0.000 1.181 352 A CA 2.024 54.112 52.037 0.085 0.000 0.623 352 A CB -1.632 17.380 19.000 0.020 0.000 0.818 352 A HN 1.000 nan 8.150 nan 0.000 0.443 353 S N -0.399 115.338 115.700 0.062 0.000 2.368 353 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 353 S C 1.854 176.501 174.600 0.078 0.000 1.030 353 S CA 1.795 60.028 58.200 0.056 0.000 0.999 353 S CB -0.382 62.835 63.200 0.028 0.000 0.844 353 S HN 0.646 nan 8.310 nan 0.000 0.459 354 E N 0.695 120.941 120.200 0.077 0.000 2.106 354 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 354 E C 2.440 179.132 176.600 0.153 0.000 0.984 354 E CA 0.894 57.354 56.400 0.099 0.000 0.806 354 E CB -0.353 29.392 29.700 0.075 0.000 0.750 354 E HN 0.657 nan 8.360 nan 0.000 0.458 355 A N 1.075 123.974 122.820 0.132 0.000 1.908 355 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 355 A C 2.159 179.974 177.584 0.385 0.000 1.181 355 A CA 1.198 53.367 52.037 0.220 0.000 0.627 355 A CB -0.656 18.455 19.000 0.185 0.000 0.818 355 A HN 0.158 nan 8.150 nan 0.000 0.445 356 L N -1.017 120.350 121.223 0.241 0.000 2.093 356 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 356 L C 2.383 179.368 176.870 0.192 0.000 1.085 356 L CA 1.487 56.444 54.840 0.195 0.000 0.755 356 L CB -0.269 41.862 42.059 0.120 0.000 0.904 356 L HN 0.322 nan 8.230 nan 0.000 0.435 357 K N -1.523 118.984 120.400 0.179 0.000 2.432 357 K HA -0.065 4.255 4.320 -0.000 0.000 0.196 357 K C 0.748 177.457 176.600 0.181 0.000 1.038 357 K CA -0.022 56.351 56.287 0.144 0.000 0.986 357 K CB -0.112 32.452 32.500 0.105 0.000 0.782 357 K HN 0.251 nan 8.250 nan 0.000 0.485 358 H N 1.217 120.405 119.070 0.197 0.000 2.848 358 H HA 0.006 4.562 4.556 -0.000 0.000 0.341 358 H C -1.979 173.503 175.328 0.256 0.000 1.060 358 H CA -1.345 54.853 56.048 0.250 0.000 1.444 358 H CB 1.447 31.448 29.762 0.397 0.000 1.446 358 H HN -0.154 nan 8.280 nan 0.000 0.583 359 P HA -0.188 nan 4.420 nan 0.000 0.217 359 P C 1.325 178.776 177.300 0.251 0.000 1.148 359 P CA 1.155 64.231 63.100 -0.041 0.000 0.834 359 P CB -0.151 31.454 31.700 -0.158 0.000 0.783 360 W N 0.168 121.683 121.300 0.359 0.000 2.338 360 W HA -0.129 4.531 4.660 -0.000 0.000 0.304 360 W C 1.741 178.414 176.519 0.255 0.000 1.212 360 W CA 1.523 59.048 57.345 0.300 0.000 1.264 360 W CB -0.838 28.771 29.460 0.248 0.000 1.142 360 W HN -0.130 nan 8.180 nan 0.000 0.512 361 L N -0.056 121.329 121.223 0.270 0.000 2.513 361 L HA 0.057 4.397 4.340 -0.000 0.000 0.222 361 L C 2.262 179.244 176.870 0.186 0.000 1.096 361 L CA 1.108 55.989 54.840 0.068 0.000 0.857 361 L CB -0.512 41.582 42.059 0.059 0.000 1.026 361 L HN 0.026 nan 8.230 nan 0.000 0.469 362 S N -3.220 112.563 115.700 0.138 0.000 2.554 362 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 362 S C 0.485 174.988 174.600 -0.162 0.000 1.050 362 S CA -0.403 57.816 58.200 0.031 0.000 0.927 362 S CB 0.013 63.245 63.200 0.052 0.000 0.859 362 S HN 0.208 nan 8.310 nan 0.000 0.494 363 D N 1.348 121.593 120.400 -0.258 0.000 2.346 363 D HA 0.412 5.052 4.640 -0.000 0.000 0.260 363 D C 1.424 177.378 176.300 -0.577 0.000 1.252 363 D CA 0.609 54.425 54.000 -0.306 0.000 0.895 363 D CB 0.630 41.339 40.800 -0.152 0.000 1.097 363 D HN 0.488 nan 8.370 nan 0.000 0.489 364 H N 2.915 121.777 119.070 -0.346 0.000 2.357 364 H HA -0.012 4.544 4.556 -0.000 0.000 0.301 364 H C 2.115 177.349 175.328 -0.156 0.000 1.082 364 H CA 1.952 57.842 56.048 -0.264 0.000 1.342 364 H CB -0.536 29.156 29.762 -0.117 0.000 1.389 364 H HN 0.507 nan 8.280 nan 0.000 0.511 365 K N 0.758 121.091 120.400 -0.111 0.000 2.211 365 K HA 0.222 4.542 4.320 -0.000 0.000 0.203 365 K C 2.350 178.934 176.600 -0.027 0.000 1.050 365 K CA 1.472 57.729 56.287 -0.050 0.000 0.945 365 K CB -0.749 31.730 32.500 -0.035 0.000 0.732 365 K HN 0.585 nan 8.250 nan 0.000 0.451 366 L N 0.084 121.275 121.223 -0.053 0.000 2.044 366 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 366 L C 2.381 179.320 176.870 0.115 0.000 1.075 366 L CA 1.973 56.831 54.840 0.030 0.000 0.747 366 L CB -0.443 41.648 42.059 0.054 0.000 0.903 366 L HN 0.615 nan 8.230 nan 0.000 0.435 367 H N -1.506 117.559 119.070 -0.007 0.000 2.421 367 H HA -0.102 4.454 4.556 -0.000 0.000 0.298 367 H C 2.269 177.582 175.328 -0.025 0.000 1.087 367 H CA 0.846 56.875 56.048 -0.032 0.000 1.330 367 H CB 0.041 29.767 29.762 -0.059 0.000 1.388 367 H HN 0.380 nan 8.280 nan 0.000 0.526 368 S N -0.161 115.595 115.700 0.094 0.000 2.348 368 S HA -0.205 4.265 4.470 -0.000 0.000 0.221 368 S C 2.389 177.012 174.600 0.039 0.000 1.033 368 S CA 1.095 59.323 58.200 0.046 0.000 1.010 368 S CB -0.101 63.111 63.200 0.019 0.000 0.891 368 S HN 0.278 nan 8.310 nan 0.000 0.442 369 R N 1.023 121.548 120.500 0.042 0.000 2.091 369 R HA 0.093 4.433 4.340 -0.000 0.000 0.238 369 R C 2.223 178.549 176.300 0.043 0.000 1.136 369 R CA 1.169 57.291 56.100 0.038 0.000 0.959 369 R CB -1.361 28.964 30.300 0.042 0.000 0.856 369 R HN 0.582 nan 8.270 nan 0.000 0.437 370 L N 0.012 121.271 121.223 0.060 0.000 2.046 370 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 370 L C 2.841 179.724 176.870 0.021 0.000 1.077 370 L CA 2.050 56.919 54.840 0.049 0.000 0.747 370 L CB -0.748 41.347 42.059 0.060 0.000 0.896 370 L HN 0.383 nan 8.230 nan 0.000 0.432 371 S N -0.379 115.331 115.700 0.018 0.000 2.356 371 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 371 S C 2.172 176.774 174.600 0.002 0.000 1.032 371 S CA 1.268 59.468 58.200 -0.001 0.000 1.005 371 S CB -0.135 63.064 63.200 -0.003 0.000 0.867 371 S HN 0.456 nan 8.310 nan 0.000 0.449 372 A N 1.167 123.992 122.820 0.009 0.000 1.896 372 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 372 A C 1.406 178.994 177.584 0.007 0.000 1.206 372 A CA 1.578 53.620 52.037 0.007 0.000 0.647 372 A CB -1.076 17.930 19.000 0.011 0.000 0.828 372 A HN 0.715 nan 8.150 nan 0.000 0.455 373 Q N 0.000 119.806 119.800 0.011 0.000 2.315 373 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 373 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 373 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481