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 2hda_1_A DATA FIRST_RESID 92 DATA SEQUENCE GVTIFVALYD YEARTTEDLS FKKGERFQII NNTEGDWWEA RSIATGKNGY DATA SEQUENCE IPSNYVAPA 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 92 G HA2 0.000 nan 3.960 nan 0.000 0.244 92 G HA3 0.000 3.930 3.960 -0.051 0.000 0.244 92 G C 0.000 174.895 174.900 -0.008 0.000 0.946 92 G CA 0.000 45.094 45.100 -0.011 0.000 0.502 93 V N -2.468 117.450 119.914 0.006 0.000 2.876 93 V HA 0.971 5.060 4.120 -0.051 0.000 0.312 93 V C -0.518 175.603 176.094 0.045 0.000 1.085 93 V CA -0.798 61.518 62.300 0.027 0.000 0.945 93 V CB 1.768 33.613 31.823 0.037 0.000 1.017 93 V HN 0.056 nan 8.190 nan 0.000 0.428 94 T N 5.059 119.672 114.554 0.098 0.000 2.876 94 T HA 0.675 4.995 4.350 -0.051 0.000 0.289 94 T C -0.679 174.133 174.700 0.188 0.000 1.014 94 T CA -0.379 61.784 62.100 0.105 0.000 0.986 94 T CB 1.499 70.459 68.868 0.152 0.000 1.021 94 T HN 0.639 nan 8.240 nan 0.000 0.458 95 I N 3.088 123.688 120.570 0.050 0.000 2.365 95 I HA 0.500 4.640 4.170 -0.051 0.000 0.291 95 I C -0.461 175.659 176.117 0.005 0.000 1.004 95 I CA -0.624 60.731 61.300 0.092 0.000 1.311 95 I CB 0.361 38.368 38.000 0.012 0.000 1.401 95 I HN 0.542 nan 8.210 nan 0.000 0.491 96 F N 4.397 124.424 119.950 0.128 0.000 2.611 96 F HA 0.620 5.116 4.527 -0.051 0.000 0.324 96 F C -0.016 175.877 175.800 0.155 0.000 1.061 96 F CA -0.900 57.194 58.000 0.157 0.000 0.954 96 F CB 2.007 41.145 39.000 0.230 0.000 1.301 96 F HN 0.119 nan 8.300 nan 0.000 0.482 97 V N 1.729 121.816 119.914 0.288 0.000 2.680 97 V HA 0.838 4.928 4.120 -0.051 0.000 0.309 97 V C -0.691 175.524 176.094 0.202 0.000 1.052 97 V CA -0.790 61.604 62.300 0.156 0.000 0.908 97 V CB 1.538 33.386 31.823 0.042 0.000 1.001 97 V HN 0.936 nan 8.190 nan 0.000 0.431 98 A N 6.035 128.980 122.820 0.208 0.000 2.492 98 A HA 0.422 4.712 4.320 -0.051 0.000 0.254 98 A C 0.752 178.377 177.584 0.068 0.000 1.091 98 A CA -0.055 52.119 52.037 0.230 0.000 0.768 98 A CB 0.102 19.343 19.000 0.403 0.000 1.028 98 A HN 1.006 nan 8.150 nan 0.000 0.498 99 L N 1.517 122.658 121.223 -0.137 0.000 2.446 99 L HA 0.117 4.427 4.340 -0.051 0.000 0.219 99 L C -0.437 176.108 176.870 -0.542 0.000 1.116 99 L CA 0.637 55.185 54.840 -0.487 0.000 0.844 99 L CB -0.457 40.999 42.059 -1.006 0.000 0.970 99 L HN 0.787 nan 8.230 nan 0.000 0.457 100 Y N -2.367 118.005 120.300 0.120 0.000 2.571 100 Y HA 0.332 4.847 4.550 -0.059 0.000 0.341 100 Y C -0.546 175.536 175.900 0.304 0.000 1.076 100 Y CA -1.760 56.385 58.100 0.075 0.000 1.029 100 Y CB 0.779 39.099 38.460 -0.233 0.000 1.308 100 Y HN -0.228 nan 8.280 nan 0.000 0.461 101 D N 0.924 121.548 120.400 0.374 0.000 2.362 101 D HA 0.112 4.722 4.640 -0.051 0.000 0.242 101 D C -1.269 175.170 176.300 0.233 0.000 1.132 101 D CA 0.632 54.791 54.000 0.264 0.000 0.907 101 D CB 0.835 41.730 40.800 0.158 0.000 1.195 101 D HN 0.525 nan 8.370 nan 0.000 0.429 102 Y N 0.657 120.760 120.300 -0.329 0.000 2.362 102 Y HA 0.165 4.687 4.550 -0.047 0.000 0.326 102 Y C -1.054 174.606 175.900 -0.400 0.000 1.083 102 Y CA -0.762 57.058 58.100 -0.467 0.000 1.073 102 Y CB 1.275 39.040 38.460 -1.159 0.000 1.211 102 Y HN 0.117 nan 8.280 nan 0.000 0.433 103 E N 4.421 124.250 120.200 -0.618 0.000 2.229 103 E HA 0.451 4.770 4.350 -0.051 0.000 0.283 103 E C -0.270 175.765 176.600 -0.942 0.000 1.030 103 E CA -0.317 55.737 56.400 -0.578 0.000 0.836 103 E CB 1.501 31.006 29.700 -0.325 0.000 1.068 103 E HN 0.820 nan 8.360 nan 0.000 0.401 104 A N 3.786 126.272 122.820 -0.557 0.000 2.587 104 A HA -0.071 4.219 4.320 -0.051 0.000 0.235 104 A C 0.873 178.264 177.584 -0.321 0.000 1.044 104 A CA 0.539 52.353 52.037 -0.370 0.000 0.754 104 A CB 0.157 19.107 19.000 -0.084 0.000 0.968 104 A HN 0.634 nan 8.150 nan 0.000 0.509 105 R N 0.278 120.668 120.500 -0.183 0.000 2.437 105 R HA 0.146 4.456 4.340 -0.051 0.000 0.257 105 R C 0.107 176.385 176.300 -0.037 0.000 0.927 105 R CA 0.854 56.899 56.100 -0.093 0.000 1.078 105 R CB 0.417 30.710 30.300 -0.013 0.000 1.161 105 R HN 0.914 nan 8.270 nan 0.000 0.529 106 T N -3.950 110.599 114.554 -0.009 0.000 2.816 106 T HA 0.101 4.421 4.350 -0.051 0.000 0.299 106 T C 0.984 175.693 174.700 0.015 0.000 1.230 106 T CA -0.642 61.452 62.100 -0.008 0.000 1.007 106 T CB 1.788 70.648 68.868 -0.013 0.000 1.289 106 T HN 0.011 nan 8.240 nan 0.000 0.508 107 T N -1.669 112.891 114.554 0.010 0.000 3.113 107 T HA 0.094 4.414 4.350 -0.051 0.000 0.263 107 T C 1.024 175.743 174.700 0.032 0.000 1.143 107 T CA 0.865 62.974 62.100 0.015 0.000 1.090 107 T CB -0.423 68.448 68.868 0.005 0.000 0.922 107 T HN 0.766 nan 8.240 nan 0.000 0.521 108 E N 0.799 121.034 120.200 0.059 0.000 2.474 108 E HA 0.106 4.426 4.350 -0.051 0.000 0.195 108 E C -0.424 176.244 176.600 0.113 0.000 1.039 108 E CA -0.300 56.140 56.400 0.067 0.000 0.881 108 E CB 0.251 30.028 29.700 0.129 0.000 0.970 108 E HN 0.506 nan 8.360 nan 0.000 0.486 109 D N 0.573 121.074 120.400 0.169 0.000 2.304 109 D HA 0.154 4.764 4.640 -0.051 0.000 0.247 109 D C 0.027 176.448 176.300 0.201 0.000 1.089 109 D CA -0.141 54.007 54.000 0.246 0.000 0.910 109 D CB 1.023 42.002 40.800 0.299 0.000 1.199 109 D HN -0.016 nan 8.370 nan 0.000 0.426 110 L N 1.102 122.489 121.223 0.274 0.000 2.439 110 L HA 0.152 4.461 4.340 -0.051 0.000 0.269 110 L C 0.650 177.746 176.870 0.376 0.000 1.179 110 L CA 0.032 55.065 54.840 0.321 0.000 0.828 110 L CB 0.709 43.006 42.059 0.396 0.000 1.106 110 L HN 0.218 nan 8.230 nan 0.000 0.467 111 S N 2.266 118.118 115.700 0.254 0.000 2.585 111 S HA 0.735 5.175 4.470 -0.051 0.000 0.277 111 S C -0.661 174.157 174.600 0.363 0.000 1.241 111 S CA -0.453 57.840 58.200 0.155 0.000 1.041 111 S CB 0.987 64.209 63.200 0.036 0.000 0.987 111 S HN 0.406 nan 8.310 nan 0.000 0.512 112 F N -0.372 119.762 119.950 0.307 0.000 2.741 112 F HA 0.678 5.169 4.527 -0.059 0.000 0.313 112 F C -1.069 174.901 175.800 0.284 0.000 1.153 112 F CA -1.350 56.845 58.000 0.326 0.000 0.931 112 F CB 0.836 40.160 39.000 0.540 0.000 1.335 112 F HN 0.098 nan 8.300 nan 0.000 0.460 113 K N 1.215 121.923 120.400 0.512 0.000 2.156 113 K HA 0.303 4.592 4.320 -0.051 0.000 0.250 113 K C -0.788 176.058 176.600 0.410 0.000 0.955 113 K CA -0.957 55.541 56.287 0.352 0.000 0.855 113 K CB 2.053 34.671 32.500 0.197 0.000 1.101 113 K HN 0.813 nan 8.250 nan 0.000 0.434 114 K N 0.239 120.826 120.400 0.312 0.000 2.511 114 K HA -0.025 4.265 4.320 -0.051 0.000 0.280 114 K C 0.712 177.396 176.600 0.139 0.000 1.008 114 K CA 1.526 57.951 56.287 0.230 0.000 1.050 114 K CB -0.087 32.510 32.500 0.163 0.000 0.889 114 K HN 0.789 nan 8.250 nan 0.000 0.484 115 G N 2.677 111.532 108.800 0.092 0.000 2.217 115 G HA2 -0.304 3.625 3.960 -0.051 0.000 0.246 115 G HA3 -0.304 3.625 3.960 -0.051 0.000 0.246 115 G C 0.063 174.946 174.900 -0.028 0.000 0.990 115 G CA 0.349 45.464 45.100 0.026 0.000 0.627 115 G HN 0.716 nan 8.290 nan 0.000 0.522 116 E N 0.703 120.877 120.200 -0.043 0.000 2.415 116 E HA 0.490 4.809 4.350 -0.051 0.000 0.262 116 E C 0.752 177.053 176.600 -0.498 0.000 1.038 116 E CA -0.176 56.081 56.400 -0.239 0.000 0.921 116 E CB 0.325 29.882 29.700 -0.238 0.000 0.950 116 E HN 0.484 nan 8.360 nan 0.000 0.438 117 R N 2.369 122.543 120.500 -0.542 0.000 2.732 117 R HA 0.537 4.847 4.340 -0.051 0.000 0.278 117 R C -1.053 174.812 176.300 -0.725 0.000 0.976 117 R CA -0.607 55.200 56.100 -0.487 0.000 0.963 117 R CB 1.141 31.334 30.300 -0.178 0.000 1.150 117 R HN 0.352 nan 8.270 nan 0.000 0.478 118 F N -0.352 119.621 119.950 0.039 0.000 2.601 118 F HA 0.308 4.807 4.527 -0.046 0.000 0.309 118 F C -0.141 175.715 175.800 0.094 0.000 1.089 118 F CA -1.082 56.943 58.000 0.042 0.000 0.940 118 F CB 1.808 40.812 39.000 0.006 0.000 1.273 118 F HN 0.153 nan 8.300 nan 0.000 0.450 119 Q N 3.050 123.011 119.800 0.268 0.000 2.288 119 Q HA 0.453 4.762 4.340 -0.051 0.000 0.258 119 Q C -0.823 175.293 176.000 0.193 0.000 0.957 119 Q CA -0.412 55.514 55.803 0.204 0.000 0.919 119 Q CB 1.604 30.413 28.738 0.119 0.000 1.185 119 Q HN 0.341 nan 8.270 nan 0.000 0.408 120 I N 4.156 124.839 120.570 0.189 0.000 2.359 120 I HA 0.236 4.375 4.170 -0.051 0.000 0.294 120 I C 0.613 176.726 176.117 -0.005 0.000 0.987 120 I CA -1.101 60.223 61.300 0.041 0.000 1.225 120 I CB 0.958 38.891 38.000 -0.110 0.000 1.366 120 I HN 0.659 nan 8.210 nan 0.000 0.466 121 I N 3.595 124.138 120.570 -0.044 0.000 2.821 121 I HA 0.005 4.145 4.170 -0.051 0.000 0.294 121 I C 1.063 177.099 176.117 -0.136 0.000 1.210 121 I CA 0.247 61.508 61.300 -0.065 0.000 1.430 121 I CB 0.230 38.199 38.000 -0.050 0.000 1.356 121 I HN 0.420 nan 8.210 nan 0.000 0.563 122 N N 4.771 123.410 118.700 -0.100 0.000 2.142 122 N HA -0.176 4.534 4.740 -0.051 0.000 0.186 122 N C 1.324 176.736 175.510 -0.164 0.000 1.023 122 N CA 1.169 54.142 53.050 -0.129 0.000 0.852 122 N CB -0.557 37.889 38.487 -0.069 0.000 0.998 122 N HN 0.710 nan 8.380 nan 0.000 0.424 123 N N 0.301 118.931 118.700 -0.117 0.000 2.417 123 N HA -0.097 4.613 4.740 -0.051 0.000 0.187 123 N C -0.019 175.414 175.510 -0.128 0.000 1.027 123 N CA 0.558 53.552 53.050 -0.094 0.000 0.891 123 N CB -0.286 38.169 38.487 -0.054 0.000 0.956 123 N HN 0.158 nan 8.380 nan 0.000 0.442 124 T N 0.091 114.506 114.554 -0.232 0.000 2.817 124 T HA 0.237 4.557 4.350 -0.051 0.000 0.293 124 T C -0.002 174.560 174.700 -0.230 0.000 0.964 124 T CA -0.378 61.577 62.100 -0.242 0.000 1.085 124 T CB 1.239 69.897 68.868 -0.350 0.000 0.921 124 T HN 0.114 nan 8.240 nan 0.000 0.502 125 E N 2.725 122.922 120.200 -0.005 0.000 2.524 125 E HA 0.775 5.095 4.350 -0.051 0.000 0.219 125 E C 0.455 177.198 176.600 0.237 0.000 0.776 125 E CA 0.626 57.125 56.400 0.165 0.000 0.944 125 E CB 0.744 30.513 29.700 0.115 0.000 1.719 125 E HN 1.017 nan 8.360 nan 0.000 0.384 126 G N 0.225 109.135 108.800 0.184 0.000 2.750 126 G HA2 -0.214 3.716 3.960 -0.051 0.000 0.228 126 G HA3 -0.214 3.716 3.960 -0.051 0.000 0.228 126 G C -0.215 174.715 174.900 0.050 0.000 1.367 126 G CA 0.152 45.333 45.100 0.135 0.000 0.871 126 G HN 0.518 nan 8.290 nan 0.000 0.560 127 D N -0.229 120.055 120.400 -0.193 0.000 2.369 127 D HA 0.187 4.797 4.640 -0.051 0.000 0.211 127 D C 0.128 175.811 176.300 -1.027 0.000 1.077 127 D CA 0.555 54.129 54.000 -0.710 0.000 0.842 127 D CB 0.171 40.323 40.800 -1.081 0.000 0.947 127 D HN 0.363 nan 8.370 nan 0.000 0.509 128 W N 0.624 121.834 121.300 -0.150 0.000 2.683 128 W HA 0.239 4.898 4.660 -0.000 0.000 0.329 128 W C -0.744 175.884 176.519 0.181 0.000 1.037 128 W CA -0.909 56.356 57.345 -0.132 0.000 1.232 128 W CB 1.024 30.342 29.460 -0.236 0.000 1.390 128 W HN -0.219 nan 8.180 nan 0.000 0.465 129 W N 1.557 122.918 121.300 0.101 0.000 2.627 129 W HA 0.302 4.947 4.660 -0.024 0.000 0.339 129 W C 0.252 176.846 176.519 0.126 0.000 1.058 129 W CA -1.835 55.537 57.345 0.045 0.000 1.223 129 W CB 0.857 30.218 29.460 -0.164 0.000 1.389 129 W HN 0.273 nan 8.180 nan 0.000 0.541 130 E N 1.590 121.975 120.200 0.308 0.000 2.257 130 E HA 0.471 4.791 4.350 -0.051 0.000 0.278 130 E C -0.666 175.961 176.600 0.045 0.000 1.049 130 E CA 0.060 56.529 56.400 0.116 0.000 0.876 130 E CB 0.612 30.335 29.700 0.038 0.000 1.035 130 E HN 0.442 nan 8.360 nan 0.000 0.419 131 A N 5.246 128.065 122.820 -0.000 0.000 2.401 131 A HA 0.531 4.821 4.320 -0.051 0.000 0.310 131 A C -0.807 176.820 177.584 0.072 0.000 1.075 131 A CA -0.768 51.261 52.037 -0.012 0.000 0.746 131 A CB 1.488 20.334 19.000 -0.257 0.000 1.277 131 A HN 0.681 nan 8.150 nan 0.000 0.425 132 R N 1.723 122.314 120.500 0.152 0.000 2.393 132 R HA 0.456 4.766 4.340 -0.051 0.000 0.315 132 R C -0.477 175.984 176.300 0.268 0.000 0.952 132 R CA -0.117 56.086 56.100 0.171 0.000 0.842 132 R CB 1.373 31.734 30.300 0.101 0.000 1.163 132 R HN 0.776 nan 8.270 nan 0.000 0.450 133 S N 4.227 120.091 115.700 0.273 0.000 2.510 133 S HA 0.111 4.550 4.470 -0.051 0.000 0.279 133 S C 1.583 176.200 174.600 0.028 0.000 1.284 133 S CA -0.473 57.817 58.200 0.150 0.000 1.059 133 S CB 0.440 63.729 63.200 0.149 0.000 0.901 133 S HN 0.672 nan 8.310 nan 0.000 0.491 134 I N 4.732 125.266 120.570 -0.060 0.000 2.439 134 I HA -0.086 4.054 4.170 -0.051 0.000 0.251 134 I C 2.561 178.654 176.117 -0.041 0.000 1.139 134 I CA 1.143 62.420 61.300 -0.039 0.000 1.438 134 I CB -0.546 37.422 38.000 -0.054 0.000 1.085 134 I HN 0.813 nan 8.210 nan 0.000 0.427 135 A N 0.826 123.603 122.820 -0.072 0.000 1.858 135 A HA -0.227 4.062 4.320 -0.051 0.000 0.216 135 A C 2.425 180.009 177.584 -0.000 0.000 1.190 135 A CA 2.599 54.614 52.037 -0.038 0.000 0.617 135 A CB -1.035 17.935 19.000 -0.050 0.000 0.827 135 A HN 0.479 nan 8.150 nan 0.000 0.443 136 T N -5.455 109.112 114.554 0.021 0.000 3.015 136 T HA 0.410 4.730 4.350 -0.051 0.000 0.250 136 T C 1.506 176.232 174.700 0.043 0.000 1.057 136 T CA 1.135 63.260 62.100 0.042 0.000 1.066 136 T CB 0.263 69.173 68.868 0.070 0.000 0.959 136 T HN 1.794 nan 8.240 nan 0.000 0.488 137 G N 1.500 110.328 108.800 0.046 0.000 2.184 137 G HA2 -0.267 3.662 3.960 -0.051 0.000 0.264 137 G HA3 -0.267 3.662 3.960 -0.051 0.000 0.264 137 G C 0.014 174.950 174.900 0.059 0.000 0.975 137 G CA 0.407 45.535 45.100 0.047 0.000 0.642 137 G HN 0.699 nan 8.290 nan 0.000 0.536 138 K N 0.677 121.125 120.400 0.079 0.000 2.154 138 K HA 0.498 4.787 4.320 -0.051 0.000 0.264 138 K C 0.152 176.808 176.600 0.094 0.000 1.008 138 K CA -0.503 55.831 56.287 0.079 0.000 0.937 138 K CB 0.523 33.077 32.500 0.090 0.000 1.002 138 K HN 0.207 nan 8.250 nan 0.000 0.469 139 N N 0.429 119.164 118.700 0.057 0.000 2.314 139 N HA 0.584 5.293 4.740 -0.051 0.000 0.304 139 N C -0.608 174.898 175.510 -0.006 0.000 1.073 139 N CA -0.497 52.571 53.050 0.031 0.000 0.822 139 N CB 2.104 40.589 38.487 -0.005 0.000 1.280 139 N HN 0.763 nan 8.380 nan 0.000 0.489 140 G N 0.381 109.158 108.800 -0.037 0.000 2.349 140 G HA2 0.284 4.213 3.960 -0.051 0.000 0.294 140 G HA3 0.284 4.213 3.960 -0.051 0.000 0.294 140 G C -1.961 172.874 174.900 -0.108 0.000 1.380 140 G CA -0.709 44.325 45.100 -0.109 0.000 0.811 140 G HN 0.376 nan 8.290 nan 0.000 0.519 141 Y N -0.002 120.354 120.300 0.093 0.000 2.304 141 Y HA 0.574 5.096 4.550 -0.047 0.000 0.327 141 Y C 1.212 177.189 175.900 0.128 0.000 1.209 141 Y CA -0.223 57.945 58.100 0.113 0.000 1.299 141 Y CB 1.305 39.833 38.460 0.113 0.000 1.249 141 Y HN 0.594 nan 8.280 nan 0.000 0.519 142 I N 0.584 121.291 120.570 0.230 0.000 2.828 142 I HA 0.622 4.761 4.170 -0.051 0.000 0.302 142 I C -3.100 172.914 176.117 -0.172 0.000 1.101 142 I CA -3.201 58.089 61.300 -0.017 0.000 1.031 142 I CB 2.589 40.423 38.000 -0.277 0.000 1.231 142 I HN 0.222 nan 8.210 nan 0.000 0.427 143 P HA 0.135 nan 4.420 nan 0.000 0.271 143 P C 0.655 177.574 177.300 -0.636 0.000 1.220 143 P CA -0.225 62.486 63.100 -0.648 0.000 0.768 143 P CB 1.221 32.464 31.700 -0.761 0.000 0.848 144 S N 2.634 117.764 115.700 -0.950 0.000 2.419 144 S HA -0.176 4.264 4.470 -0.051 0.000 0.233 144 S C 1.325 175.420 174.600 -0.841 0.000 1.016 144 S CA 1.108 58.437 58.200 -1.452 0.000 0.974 144 S CB -0.969 61.036 63.200 -1.991 0.000 0.786 144 S HN 0.542 nan 8.310 nan 0.000 0.492 145 N N 0.019 118.454 118.700 -0.442 0.000 2.398 145 N HA -0.037 4.673 4.740 -0.051 0.000 0.188 145 N C 0.529 176.093 175.510 0.090 0.000 1.122 145 N CA 0.117 53.073 53.050 -0.156 0.000 0.866 145 N CB -0.729 37.704 38.487 -0.091 0.000 0.970 145 N HN 0.437 nan 8.380 nan 0.000 0.462 146 Y N 0.785 121.008 120.300 -0.129 0.000 2.511 146 Y HA 0.169 4.675 4.550 -0.073 0.000 0.279 146 Y C 1.088 176.949 175.900 -0.065 0.000 1.157 146 Y CA -0.441 57.702 58.100 0.070 0.000 1.300 146 Y CB 0.143 38.730 38.460 0.212 0.000 1.052 146 Y HN 0.045 nan 8.280 nan 0.000 0.529 147 V N -2.780 117.123 119.914 -0.019 0.000 3.074 147 V HA 1.007 5.097 4.120 -0.051 0.000 0.314 147 V C -0.460 175.747 176.094 0.188 0.000 1.117 147 V CA -1.418 60.925 62.300 0.072 0.000 1.014 147 V CB 1.465 33.334 31.823 0.076 0.000 1.057 147 V HN -0.089 nan 8.190 nan 0.000 0.438 148 A N 2.368 125.361 122.820 0.289 0.000 2.454 148 A HA 0.995 5.284 4.320 -0.051 0.000 0.302 148 A C -3.019 174.642 177.584 0.128 0.000 1.079 148 A CA -2.047 50.141 52.037 0.251 0.000 0.731 148 A CB 1.832 20.870 19.000 0.065 0.000 1.299 148 A HN 0.789 nan 8.150 nan 0.000 0.413 149 P HA 0.365 nan 4.420 nan 0.000 0.268 149 P C -0.257 176.863 177.300 -0.299 0.000 1.205 149 P CA 0.485 63.196 63.100 -0.649 0.000 0.771 149 P CB 1.172 32.583 31.700 -0.482 0.000 0.858 150 A N 0.000 122.646 122.820 -0.291 0.000 0.000 150 A HA 0.000 4.290 4.320 -0.051 0.000 0.000 150 A CA 0.000 51.954 52.037 -0.138 0.000 0.000 150 A CB 0.000 18.956 19.000 -0.073 0.000 0.000 150 A HN 0.000 nan 8.150 nan 0.000 0.000