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 1i7c_1_B DATA FIRST_RESID 4 DATA SEQUENCE AHFFEGTEKL LEVWFSRQQP XXXQGSGDLR TIPRSEWDIL LKDVQCSIIS DATA SEQUENCE VTKTDKQEAY VLSE 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.713 177.584 0.215 0.000 1.274 4 A CA 0.000 52.110 52.037 0.121 0.000 0.836 4 A CB 0.000 19.048 19.000 0.080 0.000 0.831 5 H N -0.043 119.088 119.070 0.102 0.000 3.003 5 H HA 0.786 5.349 4.556 0.011 0.000 0.327 5 H C -2.194 173.277 175.328 0.239 0.000 1.353 5 H CA -1.184 54.947 56.048 0.137 0.000 1.142 5 H CB 1.341 31.158 29.762 0.091 0.000 1.864 5 H HN 1.061 nan 8.280 nan 0.000 0.529 6 F N 3.313 122.970 119.950 -0.488 0.000 2.650 6 F HA 0.533 5.067 4.527 0.011 0.000 0.310 6 F C -2.461 173.145 175.800 -0.324 0.000 1.112 6 F CA -0.855 56.965 58.000 -0.301 0.000 0.986 6 F CB 1.250 40.177 39.000 -0.121 0.000 1.285 6 F HN 0.417 nan 8.300 nan 0.000 0.440 7 F N 4.656 123.782 119.950 -1.373 0.000 2.557 7 F HA 0.460 4.997 4.527 0.016 0.000 0.316 7 F C -0.913 174.210 175.800 -1.128 0.000 1.141 7 F CA -0.626 56.789 58.000 -0.975 0.000 0.922 7 F CB 1.442 40.137 39.000 -0.507 0.000 1.194 7 F HN 0.505 nan 8.300 nan 0.000 0.443 8 E N 3.510 122.835 120.200 -1.458 0.000 2.003 8 E HA 0.323 4.684 4.350 0.019 0.000 0.279 8 E C 0.985 177.092 176.600 -0.821 0.000 1.132 8 E CA 0.423 56.307 56.400 -0.860 0.000 0.888 8 E CB 0.816 30.256 29.700 -0.433 0.000 1.056 8 E HN 0.785 nan 8.360 nan 0.000 0.399 9 G N 3.392 111.946 108.800 -0.410 0.000 2.448 9 G HA2 -0.130 3.841 3.960 0.019 0.000 0.218 9 G HA3 -0.130 3.841 3.960 0.019 0.000 0.218 9 G C 0.543 175.381 174.900 -0.105 0.000 1.135 9 G CA 0.197 45.212 45.100 -0.141 0.000 0.784 9 G HN 0.515 nan 8.290 nan 0.000 0.543 10 T N 2.006 116.493 114.554 -0.110 0.000 2.905 10 T HA 0.245 4.606 4.350 0.019 0.000 0.299 10 T C 0.016 174.675 174.700 -0.068 0.000 1.024 10 T CA 0.463 62.526 62.100 -0.062 0.000 1.151 10 T CB 0.972 69.815 68.868 -0.042 0.000 0.987 10 T HN 0.349 nan 8.240 nan 0.000 0.535 11 E N 1.919 122.097 120.200 -0.037 0.000 2.250 11 E HA 0.427 4.788 4.350 0.019 0.000 0.265 11 E C -0.183 176.402 176.600 -0.024 0.000 1.033 11 E CA -0.799 55.583 56.400 -0.030 0.000 0.888 11 E CB 1.005 30.697 29.700 -0.014 0.000 1.151 11 E HN 0.408 nan 8.360 nan 0.000 0.412 12 K N 1.311 121.698 120.400 -0.021 0.000 2.339 12 K HA 0.381 4.713 4.320 0.019 0.000 0.264 12 K C -1.260 175.333 176.600 -0.012 0.000 0.986 12 K CA -0.839 55.439 56.287 -0.015 0.000 0.866 12 K CB 1.211 33.702 32.500 -0.015 0.000 1.103 12 K HN 0.206 nan 8.250 nan 0.000 0.441 13 L N 4.528 125.745 121.223 -0.009 0.000 2.307 13 L HA 0.514 4.866 4.340 0.019 0.000 0.284 13 L C -1.576 175.289 176.870 -0.008 0.000 1.023 13 L CA -0.832 54.003 54.840 -0.009 0.000 0.810 13 L CB 1.214 43.271 42.059 -0.004 0.000 1.231 13 L HN 0.544 nan 8.230 nan 0.000 0.423 14 L N 4.767 125.981 121.223 -0.014 0.000 2.409 14 L HA 0.623 4.975 4.340 0.019 0.000 0.272 14 L C -1.104 175.750 176.870 -0.026 0.000 0.980 14 L CA -0.038 54.793 54.840 -0.015 0.000 0.826 14 L CB 1.737 43.788 42.059 -0.014 0.000 1.268 14 L HN 0.804 nan 8.230 nan 0.000 0.407 15 E N 4.040 124.229 120.200 -0.018 0.000 2.246 15 E HA 0.708 5.069 4.350 0.019 0.000 0.266 15 E C -2.023 174.555 176.600 -0.037 0.000 0.880 15 E CA -0.687 55.693 56.400 -0.033 0.000 0.762 15 E CB 2.035 31.748 29.700 0.022 0.000 1.180 15 E HN 0.472 nan 8.360 nan 0.000 0.416 16 V N 4.190 124.024 119.914 -0.133 0.000 2.709 16 V HA 0.470 4.602 4.120 0.019 0.000 0.308 16 V C -1.213 174.697 176.094 -0.307 0.000 1.062 16 V CA -0.770 61.406 62.300 -0.207 0.000 0.901 16 V CB 1.426 33.035 31.823 -0.357 0.000 1.003 16 V HN 0.679 nan 8.190 nan 0.000 0.425 17 W N 3.213 124.333 121.300 -0.300 0.000 2.529 17 W HA 0.768 5.439 4.660 0.019 0.000 0.321 17 W C -0.430 175.927 176.519 -0.269 0.000 1.047 17 W CA -0.386 56.856 57.345 -0.173 0.000 1.216 17 W CB 1.454 30.872 29.460 -0.070 0.000 1.357 17 W HN 0.379 nan 8.180 nan 0.000 0.489 18 F N 1.674 121.764 119.950 0.234 0.000 2.461 18 F HA 0.682 5.220 4.527 0.019 0.000 0.332 18 F C 1.014 176.903 175.800 0.148 0.000 1.073 18 F CA -0.258 57.833 58.000 0.151 0.000 1.017 18 F CB 1.630 40.685 39.000 0.091 0.000 1.301 18 F HN 0.333 nan 8.300 nan 0.000 0.492 19 S N 0.302 116.211 115.700 0.347 0.000 2.929 19 S HA 0.720 5.201 4.470 0.019 0.000 0.311 19 S C -1.313 173.383 174.600 0.159 0.000 1.213 19 S CA -1.094 57.228 58.200 0.203 0.000 0.908 19 S CB 2.426 65.712 63.200 0.142 0.000 1.287 19 S HN 0.751 nan 8.310 nan 0.000 0.594 20 R N -0.169 120.394 120.500 0.104 0.000 2.643 20 R HA 0.430 4.781 4.340 0.019 0.000 0.269 20 R C -0.103 176.230 176.300 0.055 0.000 1.037 20 R CA -0.429 55.715 56.100 0.074 0.000 0.894 20 R CB 1.821 32.154 30.300 0.054 0.000 1.238 20 R HN 0.918 nan 8.270 nan 0.000 0.459 21 Q N 1.498 121.325 119.800 0.045 0.000 2.530 21 Q HA 0.110 4.462 4.340 0.019 0.000 0.198 21 Q C -0.775 175.240 176.000 0.025 0.000 0.956 21 Q CA 0.407 56.231 55.803 0.034 0.000 0.870 21 Q CB 0.499 29.256 28.738 0.033 0.000 1.050 21 Q HN 0.618 nan 8.270 nan 0.000 0.604 22 Q N 1.293 121.106 119.800 0.021 0.000 3.209 22 Q HA -0.097 4.254 4.340 0.019 0.000 0.030 22 Q C -2.379 173.628 176.000 0.012 0.000 1.696 22 Q CA 0.426 56.237 55.803 0.014 0.000 0.251 22 Q CB -0.302 28.444 28.738 0.013 0.000 0.583 22 Q HN 0.526 nan 8.270 nan 0.000 0.322 28 G N 1.065 109.853 108.800 -0.019 0.000 2.731 28 G HA2 -0.232 3.740 3.960 0.019 0.000 0.686 28 G HA3 -0.232 3.740 3.960 0.019 0.000 0.686 28 G C 0.335 175.221 174.900 -0.022 0.000 1.395 28 G CA 0.653 45.736 45.100 -0.028 0.000 0.870 28 G HN 0.931 nan 8.290 nan 0.000 0.591 29 S N 0.499 116.182 115.700 -0.028 0.000 2.387 29 S HA 0.332 4.813 4.470 0.019 0.000 0.226 29 S C 2.487 177.081 174.600 -0.010 0.000 1.026 29 S CA 1.617 59.806 58.200 -0.018 0.000 0.972 29 S CB -0.164 63.023 63.200 -0.021 0.000 0.814 29 S HN 2.932 nan 8.310 nan 0.000 0.477 30 G N 0.849 109.637 108.800 -0.019 0.000 2.147 30 G HA2 -0.161 3.811 3.960 0.019 0.000 0.244 30 G HA3 -0.161 3.811 3.960 0.019 0.000 0.244 30 G C -0.388 174.516 174.900 0.007 0.000 1.005 30 G CA 0.264 45.362 45.100 -0.004 0.000 0.713 30 G HN 0.699 nan 8.290 nan 0.000 0.515 31 D N -0.607 119.790 120.400 -0.006 0.000 2.763 31 D HA 0.309 4.961 4.640 0.019 0.000 0.235 31 D C 1.518 177.825 176.300 0.011 0.000 1.334 31 D CA -0.683 53.325 54.000 0.014 0.000 0.950 31 D CB 1.047 41.861 40.800 0.024 0.000 1.433 31 D HN -0.008 nan 8.370 nan 0.000 0.580 32 L N 2.721 123.962 121.223 0.030 0.000 2.265 32 L HA -0.066 4.285 4.340 0.019 0.000 0.215 32 L C 2.214 179.179 176.870 0.157 0.000 1.117 32 L CA 0.834 55.718 54.840 0.072 0.000 0.782 32 L CB -0.065 42.068 42.059 0.123 0.000 0.914 32 L HN 0.212 nan 8.230 nan 0.000 0.441 33 R N -0.895 119.683 120.500 0.130 0.000 2.328 33 R HA -0.067 4.284 4.340 0.019 0.000 0.207 33 R C 2.029 178.408 176.300 0.132 0.000 1.056 33 R CA 1.030 57.229 56.100 0.164 0.000 1.016 33 R CB -0.360 30.008 30.300 0.113 0.000 0.872 33 R HN 0.284 nan 8.270 nan 0.000 0.471 34 T N 1.216 115.812 114.554 0.069 0.000 2.867 34 T HA 0.019 4.381 4.350 0.019 0.000 0.268 34 T C 0.922 175.616 174.700 -0.010 0.000 1.057 34 T CA 0.571 62.684 62.100 0.021 0.000 1.136 34 T CB -0.037 68.823 68.868 -0.013 0.000 0.874 34 T HN 0.112 nan 8.240 nan 0.000 0.466 35 I N 3.147 123.696 120.570 -0.035 0.000 2.742 35 I HA 0.068 4.250 4.170 0.019 0.000 0.287 35 I C -2.155 173.865 176.117 -0.162 0.000 1.186 35 I CA -1.729 59.445 61.300 -0.210 0.000 1.417 35 I CB 0.154 37.880 38.000 -0.456 0.000 1.377 35 I HN 0.002 nan 8.210 nan 0.000 0.556 36 P HA 0.055 nan 4.420 nan 0.000 0.270 36 P C 0.406 177.663 177.300 -0.073 0.000 1.223 36 P CA -0.457 62.594 63.100 -0.082 0.000 0.785 36 P CB 0.608 32.254 31.700 -0.091 0.000 0.923 37 R N 2.127 122.692 120.500 0.108 0.000 2.073 37 R HA -0.155 4.196 4.340 0.019 0.000 0.234 37 R C 1.992 178.367 176.300 0.123 0.000 1.134 37 R CA 2.574 58.815 56.100 0.234 0.000 0.952 37 R CB -1.580 28.841 30.300 0.202 0.000 0.850 37 R HN 0.540 nan 8.270 nan 0.000 0.433 38 S N 0.109 115.829 115.700 0.034 0.000 2.419 38 S HA -0.121 4.360 4.470 0.019 0.000 0.235 38 S C 1.534 176.108 174.600 -0.043 0.000 1.019 38 S CA 1.159 59.362 58.200 0.005 0.000 0.982 38 S CB -0.299 62.893 63.200 -0.013 0.000 0.789 38 S HN 0.384 nan 8.310 nan 0.000 0.490 39 E N 0.629 120.738 120.200 -0.151 0.000 2.152 39 E HA -0.024 4.338 4.350 0.019 0.000 0.192 39 E C 1.577 178.044 176.600 -0.221 0.000 0.983 39 E CA 0.745 56.992 56.400 -0.255 0.000 0.818 39 E CB -0.339 29.095 29.700 -0.443 0.000 0.758 39 E HN 0.822 nan 8.360 nan 0.000 0.467 40 W N 1.651 122.918 121.300 -0.055 0.000 2.418 40 W HA -0.101 4.571 4.660 0.020 0.000 0.292 40 W C 1.911 178.390 176.519 -0.068 0.000 1.213 40 W CA 0.242 57.530 57.345 -0.094 0.000 1.283 40 W CB 0.020 29.376 29.460 -0.173 0.000 1.119 40 W HN -0.012 nan 8.180 nan 0.000 0.542 41 D N 0.510 121.014 120.400 0.174 0.000 2.117 41 D HA -0.169 4.483 4.640 0.019 0.000 0.197 41 D C 1.995 178.335 176.300 0.067 0.000 0.987 41 D CA 1.449 55.512 54.000 0.105 0.000 0.829 41 D CB -0.509 40.339 40.800 0.080 0.000 0.961 41 D HN 0.196 nan 8.370 nan 0.000 0.460 42 I N 0.522 121.117 120.570 0.041 0.000 2.286 42 I HA -0.161 4.021 4.170 0.019 0.000 0.245 42 I C 2.543 178.678 176.117 0.030 0.000 1.104 42 I CA 0.354 61.666 61.300 0.021 0.000 1.397 42 I CB -0.082 37.914 38.000 -0.007 0.000 1.072 42 I HN -0.021 nan 8.210 nan 0.000 0.417 43 L N 0.402 121.651 121.223 0.043 0.000 2.042 43 L HA -0.244 4.107 4.340 0.019 0.000 0.210 43 L C 2.391 179.306 176.870 0.076 0.000 1.076 43 L CA 1.578 56.456 54.840 0.064 0.000 0.749 43 L CB -0.067 42.059 42.059 0.112 0.000 0.893 43 L HN 0.172 nan 8.230 nan 0.000 0.432 44 L N 0.063 121.340 121.223 0.089 0.000 2.201 44 L HA -0.177 4.174 4.340 0.019 0.000 0.212 44 L C 2.442 179.339 176.870 0.044 0.000 1.105 44 L CA 1.500 56.376 54.840 0.061 0.000 0.775 44 L CB -0.802 41.288 42.059 0.053 0.000 0.913 44 L HN 0.226 nan 8.230 nan 0.000 0.440 45 K N -0.357 120.069 120.400 0.042 0.000 2.147 45 K HA -0.184 4.147 4.320 0.019 0.000 0.205 45 K C 1.466 178.084 176.600 0.029 0.000 1.049 45 K CA 1.425 57.732 56.287 0.033 0.000 0.936 45 K CB 0.076 32.593 32.500 0.029 0.000 0.722 45 K HN 0.269 nan 8.250 nan 0.000 0.446 46 D N -0.308 120.110 120.400 0.029 0.000 2.178 46 D HA -0.139 4.513 4.640 0.019 0.000 0.202 46 D C 1.555 177.870 176.300 0.026 0.000 0.974 46 D CA 1.208 55.224 54.000 0.025 0.000 0.841 46 D CB 0.130 40.945 40.800 0.025 0.000 0.953 46 D HN 0.190 nan 8.370 nan 0.000 0.478 47 V N -2.105 117.826 119.914 0.029 0.000 3.573 47 V HA 0.042 4.173 4.120 0.019 0.000 0.270 47 V C 0.035 176.144 176.094 0.026 0.000 1.221 47 V CA 0.138 62.453 62.300 0.025 0.000 1.163 47 V CB -0.225 31.612 31.823 0.024 0.000 0.847 47 V HN 0.096 nan 8.190 nan 0.000 0.468 48 Q N -0.152 119.665 119.800 0.029 0.000 2.470 48 Q HA -0.148 4.204 4.340 0.019 0.000 0.281 48 Q C -0.046 175.976 176.000 0.036 0.000 1.260 48 Q CA 1.014 56.836 55.803 0.032 0.000 0.815 48 Q CB -2.503 26.255 28.738 0.033 0.000 1.204 48 Q HN 1.171 nan 8.270 nan 0.000 0.444 49 C N -2.864 116.456 119.300 0.034 0.000 3.293 49 C HA 0.953 5.425 4.460 0.019 0.000 0.362 49 C C -0.083 174.927 174.990 0.033 0.000 1.539 49 C CA 0.090 59.129 59.018 0.035 0.000 1.201 49 C CB 2.175 29.936 27.740 0.034 0.000 1.770 49 C HN 0.870 nan 8.230 nan 0.000 0.440 50 S N -0.426 115.294 115.700 0.032 0.000 2.636 50 S HA 0.704 5.185 4.470 0.019 0.000 0.268 50 S C -1.317 173.307 174.600 0.040 0.000 1.159 50 S CA -0.758 57.464 58.200 0.037 0.000 0.815 50 S CB 0.483 63.707 63.200 0.040 0.000 1.130 50 S HN 1.005 nan 8.310 nan 0.000 0.471 51 I N 1.784 122.388 120.570 0.057 0.000 2.416 51 I HA 0.317 4.498 4.170 0.019 0.000 0.288 51 I C 0.887 177.044 176.117 0.067 0.000 1.051 51 I CA -0.543 60.806 61.300 0.083 0.000 1.375 51 I CB 0.953 39.042 38.000 0.148 0.000 1.407 51 I HN 0.755 nan 8.210 nan 0.000 0.516 52 I N 1.658 122.260 120.570 0.053 0.000 4.082 52 I HA 0.407 4.589 4.170 0.019 0.000 0.337 52 I C 0.341 176.471 176.117 0.023 0.000 1.352 52 I CA 0.075 61.394 61.300 0.032 0.000 1.097 52 I CB 0.644 38.655 38.000 0.018 0.000 1.048 52 I HN 0.492 nan 8.210 nan 0.000 0.393 53 S N 0.158 115.875 115.700 0.030 0.000 2.614 53 S HA 0.643 5.125 4.470 0.019 0.000 0.280 53 S C -1.469 173.104 174.600 -0.045 0.000 1.111 53 S CA -0.409 57.787 58.200 -0.006 0.000 0.847 53 S CB 1.967 65.156 63.200 -0.017 0.000 1.079 53 S HN 0.050 nan 8.310 nan 0.000 0.452 54 V N 2.727 122.573 119.914 -0.114 0.000 2.733 54 V HA 0.712 4.844 4.120 0.019 0.000 0.306 54 V C -0.604 175.354 176.094 -0.228 0.000 1.084 54 V CA -0.516 61.617 62.300 -0.279 0.000 0.905 54 V CB 2.076 33.694 31.823 -0.342 0.000 1.010 54 V HN 0.913 nan 8.190 nan 0.000 0.424 55 T N 4.613 119.006 114.554 -0.268 0.000 2.886 55 T HA 0.610 4.972 4.350 0.019 0.000 0.292 55 T C -0.798 173.785 174.700 -0.194 0.000 1.012 55 T CA -0.798 61.197 62.100 -0.174 0.000 0.982 55 T CB 1.724 70.521 68.868 -0.118 0.000 1.018 55 T HN 0.625 nan 8.240 nan 0.000 0.451 56 K N 1.502 121.821 120.400 -0.135 0.000 2.426 56 K HA 0.785 5.117 4.320 0.019 0.000 0.251 56 K C -0.217 176.344 176.600 -0.064 0.000 0.941 56 K CA -0.973 55.249 56.287 -0.108 0.000 0.808 56 K CB 2.297 34.739 32.500 -0.098 0.000 1.265 56 K HN 0.758 nan 8.250 nan 0.000 0.432 57 T N -3.240 111.286 114.554 -0.047 0.000 2.693 57 T HA 0.186 4.548 4.350 0.019 0.000 0.278 57 T C 0.661 175.351 174.700 -0.017 0.000 0.994 57 T CA -0.544 61.539 62.100 -0.028 0.000 1.033 57 T CB 1.161 70.015 68.868 -0.024 0.000 1.342 57 T HN 0.444 nan 8.240 nan 0.000 0.538 58 D N -0.176 120.219 120.400 -0.008 0.000 2.117 58 D HA -0.021 4.631 4.640 0.019 0.000 0.197 58 D C 1.529 177.832 176.300 0.005 0.000 0.987 58 D CA 1.326 55.326 54.000 -0.000 0.000 0.829 58 D CB 0.079 40.881 40.800 0.003 0.000 0.961 58 D HN 0.560 nan 8.370 nan 0.000 0.460 59 K N -1.108 119.294 120.400 0.004 0.000 2.355 59 K HA 0.183 4.515 4.320 0.019 0.000 0.198 59 K C 0.481 177.083 176.600 0.003 0.000 1.039 59 K CA -0.114 56.179 56.287 0.009 0.000 1.075 59 K CB 1.394 33.903 32.500 0.015 0.000 0.870 59 K HN 0.086 nan 8.250 nan 0.000 0.540 60 Q N 0.507 120.303 119.800 -0.007 0.000 2.482 60 Q HA 0.208 4.559 4.340 0.019 0.000 0.286 60 Q C -1.835 174.147 176.000 -0.029 0.000 1.007 60 Q CA -0.581 55.213 55.803 -0.015 0.000 0.801 60 Q CB 2.334 31.059 28.738 -0.021 0.000 1.455 60 Q HN -0.011 nan 8.270 nan 0.000 0.398 61 E N 0.820 121.006 120.200 -0.024 0.000 2.216 61 E HA 0.616 4.978 4.350 0.019 0.000 0.260 61 E C -1.511 175.033 176.600 -0.092 0.000 0.880 61 E CA -0.660 55.689 56.400 -0.085 0.000 0.765 61 E CB 1.961 31.640 29.700 -0.035 0.000 1.174 61 E HN 0.552 nan 8.360 nan 0.000 0.417 62 A N 3.341 126.041 122.820 -0.200 0.000 2.305 62 A HA 0.639 4.970 4.320 0.019 0.000 0.322 62 A C -1.422 176.003 177.584 -0.266 0.000 1.187 62 A CA -0.439 51.527 52.037 -0.119 0.000 0.825 62 A CB 0.367 19.318 19.000 -0.082 0.000 1.164 62 A HN 0.540 nan 8.150 nan 0.000 0.498 63 Y N 1.018 121.250 120.300 -0.114 0.000 2.361 63 Y HA 0.466 5.028 4.550 0.019 0.000 0.337 63 Y C -0.067 175.785 175.900 -0.080 0.000 0.965 63 Y CA -0.881 57.156 58.100 -0.105 0.000 1.091 63 Y CB 2.003 40.369 38.460 -0.156 0.000 1.182 63 Y HN 0.385 nan 8.280 nan 0.000 0.450 64 V N 5.511 125.469 119.914 0.073 0.000 2.439 64 V HA 0.424 4.555 4.120 0.019 0.000 0.282 64 V C -0.016 176.107 176.094 0.048 0.000 1.039 64 V CA -0.618 61.705 62.300 0.039 0.000 0.913 64 V CB 0.902 32.732 31.823 0.011 0.000 0.983 64 V HN 0.599 nan 8.190 nan 0.000 0.460 65 L N 3.599 124.842 121.223 0.033 0.000 2.313 65 L HA 0.842 5.193 4.340 0.019 0.000 0.268 65 L C 0.058 176.944 176.870 0.027 0.000 1.010 65 L CA -0.345 54.512 54.840 0.029 0.000 0.814 65 L CB 2.006 44.074 42.059 0.014 0.000 1.304 65 L HN 0.664 nan 8.230 nan 0.000 0.441 66 S N -0.370 115.347 115.700 0.029 0.000 2.607 66 S HA 0.668 5.150 4.470 0.019 0.000 0.273 66 S C -1.584 173.041 174.600 0.040 0.000 1.148 66 S CA -0.337 57.881 58.200 0.029 0.000 0.833 66 S CB 1.369 64.576 63.200 0.013 0.000 1.130 66 S HN 0.757 nan 8.310 nan 0.000 0.470 67 E N 0.000 120.230 120.200 0.049 0.000 2.725 67 E HA 0.000 4.362 4.350 0.019 0.000 0.291 67 E CA 0.000 56.441 56.400 0.068 0.000 0.976 67 E CB 0.000 29.729 29.700 0.048 0.000 0.812 67 E HN 0.000 nan 8.360 nan 0.000 0.440