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 1hch_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.986 176.000 -0.024 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 1 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 2 L N 1.286 122.482 121.223 -0.045 0.000 2.426 2 L HA 0.533 5.503 4.340 1.049 0.000 0.271 2 L C 0.727 177.583 176.870 -0.024 0.000 1.169 2 L CA 0.272 55.068 54.840 -0.074 0.000 0.836 2 L CB 0.743 42.757 42.059 -0.076 0.000 1.112 2 L HN 0.612 nan 8.230 nan 0.000 0.465 3 T N 1.945 116.492 114.554 -0.011 0.000 2.933 3 T HA 0.397 5.376 4.350 1.049 0.000 0.305 3 T C -2.245 172.477 174.700 0.036 0.000 1.092 3 T CA -1.592 60.526 62.100 0.031 0.000 1.008 3 T CB 2.066 70.971 68.868 0.062 0.000 1.102 3 T HN 0.234 nan 8.240 nan 0.000 0.469 4 P HA 0.010 nan 4.420 nan 0.000 0.222 4 P C 1.178 178.506 177.300 0.045 0.000 1.147 4 P CA 0.945 64.068 63.100 0.038 0.000 0.790 4 P CB 0.045 31.770 31.700 0.041 0.000 0.780 5 T N -5.722 108.858 114.554 0.043 0.000 3.144 5 T HA 0.075 5.054 4.350 1.049 0.000 0.249 5 T C 1.380 176.083 174.700 0.005 0.000 1.089 5 T CA -0.341 61.776 62.100 0.028 0.000 0.989 5 T CB -1.278 67.595 68.868 0.009 0.000 0.992 5 T HN -0.117 nan 8.240 nan 0.000 0.540 6 F N 2.107 121.950 119.950 -0.179 0.000 2.141 6 F HA -0.168 4.989 4.527 1.050 0.000 0.300 6 F C 0.965 176.531 175.800 -0.391 0.000 1.079 6 F CA 1.380 59.171 58.000 -0.347 0.000 1.264 6 F CB -0.205 38.453 39.000 -0.570 0.000 1.011 6 F HN 0.272 nan 8.300 nan 0.000 0.487 7 Y N -0.713 119.627 120.300 0.068 0.000 2.555 7 Y HA 0.152 5.331 4.550 1.048 0.000 0.259 7 Y C 1.509 177.386 175.900 -0.039 0.000 1.179 7 Y CA -0.611 57.481 58.100 -0.013 0.000 1.230 7 Y CB -0.737 37.765 38.460 0.069 0.000 1.146 7 Y HN -0.041 nan 8.280 nan 0.000 0.526 8 D N -0.014 120.419 120.400 0.056 0.000 2.263 8 D HA -0.145 5.124 4.640 1.049 0.000 0.208 8 D C 1.350 177.655 176.300 0.007 0.000 0.971 8 D CA 1.175 55.192 54.000 0.030 0.000 0.867 8 D CB 0.171 40.974 40.800 0.005 0.000 0.929 8 D HN 0.345 nan 8.370 nan 0.000 0.492 9 N N -0.855 117.835 118.700 -0.017 0.000 2.545 9 N HA -0.032 5.337 4.740 1.049 0.000 0.190 9 N C 1.742 177.246 175.510 -0.009 0.000 1.043 9 N CA 0.709 53.745 53.050 -0.024 0.000 0.879 9 N CB 0.091 38.546 38.487 -0.054 0.000 1.210 9 N HN 0.104 nan 8.380 nan 0.000 0.437 10 S N -1.070 114.632 115.700 0.003 0.000 2.436 10 S HA 0.064 5.163 4.470 1.049 0.000 0.228 10 S C 1.173 175.799 174.600 0.044 0.000 1.014 10 S CA 0.056 58.274 58.200 0.030 0.000 0.950 10 S CB -0.016 63.216 63.200 0.054 0.000 0.784 10 S HN 0.276 nan 8.310 nan 0.000 0.504 11 c N 2.853 121.494 118.600 0.069 0.000 3.253 11 c HA 0.438 5.638 4.570 1.049 0.000 0.230 11 c C -1.981 172.125 174.090 0.027 0.000 1.124 11 c CA -1.209 55.126 56.329 0.010 0.000 1.143 11 c CB 0.934 43.389 42.510 -0.092 0.000 1.794 11 c HN 0.344 nan 8.230 nan 0.000 0.617 12 P HA -0.073 nan 4.420 nan 0.000 0.222 12 P C 0.733 178.035 177.300 0.002 0.000 1.147 12 P CA 1.468 64.581 63.100 0.022 0.000 0.790 12 P CB 0.171 31.877 31.700 0.010 0.000 0.780 13 N N -0.455 118.237 118.700 -0.015 0.000 2.322 13 N HA -0.015 5.354 4.740 1.049 0.000 0.194 13 N C 1.628 177.112 175.510 -0.043 0.000 1.126 13 N CA -0.039 52.995 53.050 -0.026 0.000 0.845 13 N CB -0.548 37.924 38.487 -0.027 0.000 0.976 13 N HN 0.010 nan 8.380 nan 0.000 0.475 14 V N 0.279 120.160 119.914 -0.056 0.000 2.255 14 V HA -0.251 4.499 4.120 1.049 0.000 0.247 14 V C 2.311 178.361 176.094 -0.075 0.000 1.051 14 V CA 2.231 64.477 62.300 -0.090 0.000 1.018 14 V CB -0.521 31.206 31.823 -0.159 0.000 0.641 14 V HN 0.320 nan 8.190 nan 0.000 0.445 15 S N -0.177 115.489 115.700 -0.057 0.000 2.382 15 S HA -0.235 4.865 4.470 1.049 0.000 0.228 15 S C 1.674 176.235 174.600 -0.066 0.000 1.027 15 S CA 2.333 60.491 58.200 -0.070 0.000 0.991 15 S CB -0.733 62.426 63.200 -0.069 0.000 0.823 15 S HN 0.843 nan 8.310 nan 0.000 0.469 16 N N 0.629 119.299 118.700 -0.051 0.000 2.142 16 N HA 0.068 5.438 4.740 1.049 0.000 0.186 16 N C 1.701 177.185 175.510 -0.044 0.000 1.023 16 N CA 1.547 54.571 53.050 -0.044 0.000 0.852 16 N CB -0.193 38.274 38.487 -0.033 0.000 0.998 16 N HN 0.392 nan 8.380 nan 0.000 0.424 17 I N 0.246 120.788 120.570 -0.047 0.000 2.252 17 I HA -0.207 4.592 4.170 1.049 0.000 0.245 17 I C 1.901 177.990 176.117 -0.048 0.000 1.102 17 I CA 0.777 62.050 61.300 -0.045 0.000 1.385 17 I CB -0.235 37.736 38.000 -0.049 0.000 1.064 17 I HN 0.011 nan 8.210 nan 0.000 0.414 18 V N 0.982 120.860 119.914 -0.059 0.000 2.295 18 V HA -0.299 4.450 4.120 1.049 0.000 0.246 18 V C 2.663 178.723 176.094 -0.057 0.000 1.049 18 V CA 2.087 64.349 62.300 -0.062 0.000 1.024 18 V CB -0.781 30.994 31.823 -0.081 0.000 0.648 18 V HN 0.426 nan 8.190 nan 0.000 0.447 19 R N 0.117 120.580 120.500 -0.060 0.000 2.083 19 R HA -0.208 4.761 4.340 1.049 0.000 0.237 19 R C 2.056 178.334 176.300 -0.037 0.000 1.137 19 R CA 2.238 58.306 56.100 -0.053 0.000 0.951 19 R CB -0.440 29.827 30.300 -0.056 0.000 0.851 19 R HN 0.496 nan 8.270 nan 0.000 0.434 20 D N -0.404 119.976 120.400 -0.033 0.000 2.149 20 D HA -0.129 5.140 4.640 1.049 0.000 0.198 20 D C 1.768 178.055 176.300 -0.021 0.000 0.990 20 D CA 1.803 55.788 54.000 -0.024 0.000 0.839 20 D CB -0.412 40.374 40.800 -0.023 0.000 0.948 20 D HN 0.306 nan 8.370 nan 0.000 0.460 21 T N 0.887 115.425 114.554 -0.025 0.000 2.746 21 T HA -0.064 4.915 4.350 1.049 0.000 0.267 21 T C 2.209 176.897 174.700 -0.020 0.000 1.039 21 T CA 0.623 62.710 62.100 -0.022 0.000 1.142 21 T CB -0.143 68.710 68.868 -0.025 0.000 0.866 21 T HN 0.182 nan 8.240 nan 0.000 0.444 22 I N 0.764 121.319 120.570 -0.025 0.000 2.315 22 I HA -0.113 4.686 4.170 1.049 0.000 0.248 22 I C 2.449 178.558 176.117 -0.012 0.000 1.117 22 I CA 0.706 61.994 61.300 -0.021 0.000 1.404 22 I CB -0.474 37.510 38.000 -0.026 0.000 1.071 22 I HN 0.082 nan 8.210 nan 0.000 0.419 23 V N 1.345 121.252 119.914 -0.012 0.000 2.287 23 V HA -0.308 4.441 4.120 1.049 0.000 0.248 23 V C 2.115 178.208 176.094 -0.002 0.000 1.053 23 V CA 2.160 64.457 62.300 -0.005 0.000 1.027 23 V CB -0.908 30.911 31.823 -0.007 0.000 0.646 23 V HN 0.487 nan 8.190 nan 0.000 0.447 24 N N -0.198 118.498 118.700 -0.005 0.000 2.120 24 N HA -0.229 5.141 4.740 1.049 0.000 0.188 24 N C 1.956 177.464 175.510 -0.002 0.000 1.024 24 N CA 1.437 54.485 53.050 -0.004 0.000 0.852 24 N CB -0.093 38.391 38.487 -0.005 0.000 1.003 24 N HN 0.460 nan 8.380 nan 0.000 0.424 25 E N 1.650 121.847 120.200 -0.005 0.000 2.106 25 E HA -0.032 4.948 4.350 1.049 0.000 0.192 25 E C 1.953 178.551 176.600 -0.004 0.000 0.984 25 E CA 0.647 57.044 56.400 -0.006 0.000 0.806 25 E CB -0.265 29.428 29.700 -0.012 0.000 0.750 25 E HN 0.283 nan 8.360 nan 0.000 0.458 26 L N 0.096 121.319 121.223 -0.000 0.000 2.187 26 L HA -0.158 4.811 4.340 1.049 0.000 0.213 26 L C 2.497 179.373 176.870 0.010 0.000 1.100 26 L CA 1.051 55.895 54.840 0.006 0.000 0.765 26 L CB -0.248 41.820 42.059 0.015 0.000 0.904 26 L HN 0.118 nan 8.230 nan 0.000 0.437 27 R N -0.532 119.972 120.500 0.008 0.000 2.096 27 R HA -0.123 4.846 4.340 1.049 0.000 0.235 27 R C 2.401 178.706 176.300 0.008 0.000 1.127 27 R CA 1.766 57.872 56.100 0.009 0.000 0.968 27 R CB -0.230 30.074 30.300 0.007 0.000 0.861 27 R HN 0.473 nan 8.270 nan 0.000 0.440 28 S N -0.904 114.799 115.700 0.005 0.000 2.497 28 S HA 0.001 5.100 4.470 1.049 0.000 0.218 28 S C 0.247 174.849 174.600 0.004 0.000 1.023 28 S CA -0.135 58.068 58.200 0.005 0.000 0.913 28 S CB 0.531 63.733 63.200 0.004 0.000 0.800 28 S HN 0.069 nan 8.310 nan 0.000 0.505 29 D N 1.516 121.917 120.400 0.001 0.000 2.346 29 D HA 0.450 5.719 4.640 1.049 0.000 0.255 29 D C -2.605 173.692 176.300 -0.005 0.000 1.276 29 D CA -2.165 51.833 54.000 -0.004 0.000 0.941 29 D CB 1.725 42.518 40.800 -0.012 0.000 1.199 29 D HN -0.097 nan 8.370 nan 0.000 0.537 30 P HA -0.023 nan 4.420 nan 0.000 0.228 30 P C 1.090 178.387 177.300 -0.006 0.000 1.151 30 P CA 0.531 63.638 63.100 0.012 0.000 0.770 30 P CB 0.219 31.934 31.700 0.024 0.000 0.786 31 R N -0.490 119.992 120.500 -0.030 0.000 2.276 31 R HA 0.056 5.025 4.340 1.049 0.000 0.196 31 R C 1.867 178.098 176.300 -0.116 0.000 0.961 31 R CA 0.149 56.204 56.100 -0.075 0.000 1.024 31 R CB -0.552 29.715 30.300 -0.054 0.000 0.940 31 R HN 0.049 nan 8.270 nan 0.000 0.480 32 I N 1.291 121.815 120.570 -0.077 0.000 2.335 32 I HA -0.224 4.575 4.170 1.049 0.000 0.251 32 I C 1.989 178.048 176.117 -0.097 0.000 1.129 32 I CA 1.498 62.748 61.300 -0.083 0.000 1.402 32 I CB -0.221 37.749 38.000 -0.051 0.000 1.069 32 I HN 0.238 nan 8.210 nan 0.000 0.424 33 A N 0.253 123.026 122.820 -0.078 0.000 1.877 33 A HA -0.097 4.853 4.320 1.049 0.000 0.216 33 A C 2.514 180.006 177.584 -0.154 0.000 1.186 33 A CA 1.848 53.868 52.037 -0.027 0.000 0.620 33 A CB -1.304 17.768 19.000 0.119 0.000 0.822 33 A HN 0.510 nan 8.150 nan 0.000 0.443 34 A N -0.501 121.996 122.820 -0.539 0.000 1.877 34 A HA -0.075 4.874 4.320 1.049 0.000 0.216 34 A C 2.447 179.821 177.584 -0.351 0.000 1.186 34 A CA 2.109 53.581 52.037 -0.940 0.000 0.620 34 A CB -0.935 17.369 19.000 -1.161 0.000 0.822 34 A HN 0.459 nan 8.150 nan 0.000 0.443 35 S N -0.136 115.416 115.700 -0.246 0.000 2.370 35 S HA -0.125 4.975 4.470 1.049 0.000 0.226 35 S C 1.798 176.312 174.600 -0.144 0.000 1.033 35 S CA 1.548 59.644 58.200 -0.173 0.000 1.011 35 S CB -0.484 62.619 63.200 -0.161 0.000 0.852 35 S HN 0.539 nan 8.310 nan 0.000 0.457 36 I N 0.933 121.437 120.570 -0.109 0.000 2.315 36 I HA -0.146 4.653 4.170 1.049 0.000 0.248 36 I C 2.289 178.416 176.117 0.017 0.000 1.117 36 I CA 0.683 61.946 61.300 -0.063 0.000 1.404 36 I CB -0.285 37.685 38.000 -0.049 0.000 1.071 36 I HN 0.242 nan 8.210 nan 0.000 0.419 37 L N 1.041 122.303 121.223 0.065 0.000 2.046 37 L HA -0.201 4.769 4.340 1.049 0.000 0.208 37 L C 2.581 179.563 176.870 0.186 0.000 1.077 37 L CA 1.816 56.767 54.840 0.185 0.000 0.747 37 L CB -0.698 41.554 42.059 0.322 0.000 0.896 37 L HN 0.085 nan 8.230 nan 0.000 0.432 38 R N -0.705 119.842 120.500 0.077 0.000 2.092 38 R HA -0.112 4.857 4.340 1.049 0.000 0.231 38 R C 2.280 178.555 176.300 -0.042 0.000 1.119 38 R CA 1.529 57.648 56.100 0.032 0.000 0.970 38 R CB -0.285 29.956 30.300 -0.099 0.000 0.864 38 R HN 0.464 nan 8.270 nan 0.000 0.440 39 L N -0.581 120.617 121.223 -0.041 0.000 2.046 39 L HA -0.224 4.745 4.340 1.049 0.000 0.208 39 L C 2.538 179.479 176.870 0.119 0.000 1.077 39 L CA 1.625 56.457 54.840 -0.013 0.000 0.747 39 L CB -0.647 41.377 42.059 -0.058 0.000 0.896 39 L HN 0.346 nan 8.230 nan 0.000 0.432 40 H N -0.157 118.953 119.070 0.066 0.000 2.353 40 H HA -0.257 4.930 4.556 1.051 0.000 0.300 40 H C 1.923 177.354 175.328 0.172 0.000 1.090 40 H CA 1.811 57.923 56.048 0.107 0.000 1.327 40 H CB -0.215 29.608 29.762 0.101 0.000 1.383 40 H HN 0.284 nan 8.280 nan 0.000 0.508 41 F N 0.683 120.610 119.950 -0.038 0.000 2.075 41 F HA -0.174 4.976 4.527 1.039 0.000 0.297 41 F C 2.145 177.958 175.800 0.021 0.000 1.113 41 F CA 2.168 60.108 58.000 -0.100 0.000 1.218 41 F CB -1.077 37.854 39.000 -0.116 0.000 0.984 41 F HN 0.347 nan 8.300 nan 0.000 0.472 42 H N -1.384 117.389 119.070 -0.495 0.000 2.521 42 H HA -0.119 5.064 4.556 1.045 0.000 0.286 42 H C 1.559 176.769 175.328 -0.196 0.000 1.034 42 H CA 0.721 56.461 56.048 -0.514 0.000 1.278 42 H CB 0.005 29.584 29.762 -0.304 0.000 1.386 42 H HN 0.366 nan 8.280 nan 0.000 0.567 43 D N 0.252 120.670 120.400 0.029 0.000 2.110 43 D HA -0.102 5.167 4.640 1.049 0.000 0.202 43 D C 2.154 178.454 176.300 -0.000 0.000 0.975 43 D CA 0.753 54.782 54.000 0.048 0.000 0.839 43 D CB -0.445 40.415 40.800 0.099 0.000 0.996 43 D HN 0.218 nan 8.370 nan 0.000 0.464 44 c N -0.085 118.491 118.600 -0.039 0.000 2.422 44 c HA -0.040 5.159 4.570 1.049 0.000 0.279 44 c C 2.258 176.354 174.090 0.010 0.000 1.305 44 c CA 0.108 56.416 56.329 -0.035 0.000 1.757 44 c CB -1.546 40.912 42.510 -0.086 0.000 1.962 44 c HN 0.269 nan 8.230 nan 0.000 0.499 45 F N 0.517 120.333 119.950 -0.223 0.000 2.802 45 F HA 0.158 5.316 4.527 1.051 0.000 0.300 45 F C 0.683 176.356 175.800 -0.213 0.000 1.168 45 F CA 0.616 58.473 58.000 -0.238 0.000 1.433 45 F CB -0.013 38.781 39.000 -0.345 0.000 1.115 45 F HN -0.042 nan 8.300 nan 0.000 0.582 46 V N 0.183 120.056 119.914 -0.068 0.000 2.398 46 V HA 0.231 4.980 4.120 1.049 0.000 0.282 46 V C 0.214 176.178 176.094 -0.217 0.000 1.014 46 V CA -1.065 61.161 62.300 -0.123 0.000 0.838 46 V CB 0.990 32.785 31.823 -0.046 0.000 1.018 46 V HN 0.260 nan 8.190 nan 0.000 0.432 47 N N 3.355 121.844 118.700 -0.352 0.000 2.753 47 N HA -0.158 5.211 4.740 1.049 0.000 0.251 47 N C 0.391 175.752 175.510 -0.248 0.000 1.097 47 N CA 2.071 54.849 53.050 -0.453 0.000 0.786 47 N CB -0.735 37.197 38.487 -0.924 0.000 1.137 47 N HN 1.893 nan 8.380 nan 0.000 0.566 48 G N -2.014 106.677 108.800 -0.182 0.000 2.757 48 G HA2 -0.228 4.362 3.960 1.049 0.000 0.638 48 G HA3 -0.228 4.362 3.960 1.049 0.000 0.638 48 G C -0.015 174.848 174.900 -0.062 0.000 1.344 48 G CA -0.404 44.624 45.100 -0.121 0.000 0.855 48 G HN 0.844 nan 8.290 nan 0.000 0.537 49 c N 1.346 119.926 118.600 -0.033 0.000 2.305 49 c HA 0.483 5.683 4.570 1.049 0.000 0.378 49 c C 0.922 175.036 174.090 0.040 0.000 1.047 49 c CA 0.150 56.492 56.329 0.022 0.000 1.385 49 c CB -1.296 41.255 42.510 0.069 0.000 1.825 49 c HN 0.784 nan 8.230 nan 0.000 0.508 50 D N 0.530 120.957 120.400 0.044 0.000 2.563 50 D HA 0.258 5.527 4.640 1.049 0.000 0.237 50 D C 1.098 177.441 176.300 0.072 0.000 1.282 50 D CA 0.255 54.286 54.000 0.052 0.000 0.816 50 D CB -0.213 40.618 40.800 0.051 0.000 1.066 50 D HN 0.582 nan 8.370 nan 0.000 0.501 51 A N 0.700 123.572 122.820 0.087 0.000 2.847 51 A HA -0.293 4.656 4.320 1.049 0.000 0.263 51 A C 1.893 179.527 177.584 0.084 0.000 1.391 51 A CA 1.448 53.541 52.037 0.094 0.000 0.866 51 A CB -2.599 16.449 19.000 0.079 0.000 1.057 51 A HN 0.775 nan 8.150 nan 0.000 0.673 52 S N -0.573 115.184 115.700 0.095 0.000 2.399 52 S HA -0.096 5.004 4.470 1.049 0.000 0.231 52 S C 1.735 176.371 174.600 0.060 0.000 1.022 52 S CA 1.260 59.509 58.200 0.082 0.000 0.983 52 S CB -0.523 62.815 63.200 0.230 0.000 0.803 52 S HN 1.281 nan 8.310 nan 0.000 0.480 53 I N 0.917 121.547 120.570 0.100 0.000 2.614 53 I HA -0.028 4.771 4.170 1.049 0.000 0.258 53 I C 1.714 177.882 176.117 0.086 0.000 1.189 53 I CA 1.011 62.380 61.300 0.114 0.000 1.462 53 I CB -0.065 38.046 38.000 0.186 0.000 1.092 53 I HN 0.315 nan 8.210 nan 0.000 0.442 54 L N 0.548 121.827 121.223 0.093 0.000 2.395 54 L HA 0.035 5.004 4.340 1.049 0.000 0.218 54 L C 0.801 177.642 176.870 -0.047 0.000 1.130 54 L CA 0.035 54.904 54.840 0.048 0.000 0.826 54 L CB -0.395 41.733 42.059 0.115 0.000 0.941 54 L HN 0.136 nan 8.230 nan 0.000 0.451 55 L N 0.559 121.774 121.223 -0.014 0.000 2.416 55 L HA 0.080 5.049 4.340 1.049 0.000 0.272 55 L C 0.088 176.955 176.870 -0.004 0.000 1.161 55 L CA -0.040 54.813 54.840 0.022 0.000 0.845 55 L CB 0.360 42.471 42.059 0.086 0.000 1.119 55 L HN 0.037 nan 8.230 nan 0.000 0.464 56 D N 1.348 121.741 120.400 -0.012 0.000 2.432 56 D HA 0.152 5.422 4.640 1.049 0.000 0.258 56 D C 0.077 176.358 176.300 -0.032 0.000 1.146 56 D CA -0.475 53.491 54.000 -0.057 0.000 1.015 56 D CB 0.624 41.373 40.800 -0.084 0.000 1.107 56 D HN 0.359 nan 8.370 nan 0.000 0.529 57 N N -0.088 118.564 118.700 -0.080 0.000 2.395 57 N HA 0.050 5.420 4.740 1.049 0.000 0.246 57 N C -0.093 175.254 175.510 -0.273 0.000 1.246 57 N CA 0.575 53.541 53.050 -0.140 0.000 0.879 57 N CB 0.436 38.858 38.487 -0.110 0.000 1.098 57 N HN 0.415 nan 8.380 nan 0.000 0.444 58 T N -3.421 110.856 114.554 -0.462 0.000 2.841 58 T HA 0.303 5.283 4.350 1.049 0.000 0.296 58 T C 1.104 175.575 174.700 -0.381 0.000 1.166 58 T CA -0.531 61.264 62.100 -0.507 0.000 1.007 58 T CB 0.918 69.264 68.868 -0.870 0.000 1.253 58 T HN 0.420 nan 8.240 nan 0.000 0.511 59 T N -1.206 113.187 114.554 -0.269 0.000 3.072 59 T HA 0.004 4.983 4.350 1.049 0.000 0.266 59 T C 1.804 176.408 174.700 -0.159 0.000 1.127 59 T CA 1.147 63.142 62.100 -0.174 0.000 1.107 59 T CB -0.629 68.168 68.868 -0.118 0.000 0.910 59 T HN 0.790 nan 8.240 nan 0.000 0.513 60 S N 0.605 116.167 115.700 -0.229 0.000 2.497 60 S HA 0.367 5.466 4.470 1.049 0.000 0.221 60 S C 0.205 174.793 174.600 -0.020 0.000 1.037 60 S CA -0.846 57.286 58.200 -0.113 0.000 0.920 60 S CB -0.431 62.730 63.200 -0.066 0.000 0.800 60 S HN 0.700 nan 8.310 nan 0.000 0.505 61 F N 0.257 120.160 119.950 -0.077 0.000 2.619 61 F HA 0.813 5.969 4.527 1.047 0.000 0.308 61 F C -0.713 175.031 175.800 -0.094 0.000 1.097 61 F CA -1.637 56.305 58.000 -0.097 0.000 0.953 61 F CB 0.911 39.822 39.000 -0.148 0.000 1.287 61 F HN -0.311 nan 8.300 nan 0.000 0.446 62 R N 1.191 121.813 120.500 0.203 0.000 2.531 62 R HA 0.365 5.335 4.340 1.049 0.000 0.273 62 R C -0.022 176.379 176.300 0.168 0.000 1.070 62 R CA -0.586 55.577 56.100 0.105 0.000 1.112 62 R CB 1.303 31.623 30.300 0.033 0.000 1.049 62 R HN 0.940 nan 8.270 nan 0.000 0.508 63 T N 0.197 114.799 114.554 0.080 0.000 2.913 63 T HA 0.051 5.031 4.350 1.049 0.000 0.297 63 T C 1.019 175.722 174.700 0.004 0.000 1.029 63 T CA -0.192 61.939 62.100 0.051 0.000 1.104 63 T CB 0.480 69.338 68.868 -0.018 0.000 0.964 63 T HN 0.478 nan 8.240 nan 0.000 0.532 64 E N 1.983 122.182 120.200 -0.001 0.000 2.418 64 E HA -0.045 4.934 4.350 1.049 0.000 0.197 64 E C 1.834 178.436 176.600 0.003 0.000 1.026 64 E CA 0.580 56.982 56.400 0.004 0.000 0.862 64 E CB 0.156 29.875 29.700 0.033 0.000 0.799 64 E HN 0.638 nan 8.360 nan 0.000 0.518 65 K N 0.667 121.054 120.400 -0.022 0.000 2.360 65 K HA -0.106 4.844 4.320 1.049 0.000 0.201 65 K C 0.666 177.270 176.600 0.007 0.000 1.046 65 K CA 0.746 57.029 56.287 -0.006 0.000 0.945 65 K CB 0.179 32.602 32.500 -0.129 0.000 0.750 65 K HN 0.041 nan 8.250 nan 0.000 0.464 66 D N 0.369 120.748 120.400 -0.035 0.000 2.368 66 D HA 0.101 5.371 4.640 1.049 0.000 0.218 66 D C -0.037 176.168 176.300 -0.158 0.000 1.112 66 D CA 0.070 54.028 54.000 -0.069 0.000 0.834 66 D CB 0.334 41.088 40.800 -0.077 0.000 0.953 66 D HN 0.123 nan 8.370 nan 0.000 0.505 67 A N -0.203 122.543 122.820 -0.123 0.000 2.366 67 A HA 0.212 5.162 4.320 1.049 0.000 0.249 67 A C 0.820 178.313 177.584 -0.151 0.000 1.084 67 A CA -0.316 51.602 52.037 -0.198 0.000 0.794 67 A CB 0.159 19.112 19.000 -0.078 0.000 1.034 67 A HN -0.017 nan 8.150 nan 0.000 0.491 68 F N 1.325 121.320 119.950 0.075 0.000 2.202 68 F HA -0.067 5.118 4.527 1.096 0.000 0.301 68 F C 2.427 178.294 175.800 0.112 0.000 1.082 68 F CA 1.983 60.048 58.000 0.109 0.000 1.313 68 F CB -0.690 38.386 39.000 0.127 0.000 1.024 68 F HN 0.618 nan 8.300 nan 0.000 0.495 69 G N -1.251 107.663 108.800 0.191 0.000 2.712 69 G HA2 -0.105 4.485 3.960 1.049 0.000 0.212 69 G HA3 -0.105 4.485 3.960 1.049 0.000 0.212 69 G C 1.498 176.503 174.900 0.175 0.000 1.142 69 G CA 0.366 45.525 45.100 0.100 0.000 0.789 69 G HN 0.243 nan 8.290 nan 0.000 0.535 70 N N 0.493 119.286 118.700 0.155 0.000 2.545 70 N HA 0.137 5.507 4.740 1.049 0.000 0.190 70 N C 1.264 176.892 175.510 0.196 0.000 1.043 70 N CA 0.336 53.514 53.050 0.214 0.000 0.879 70 N CB 0.066 38.668 38.487 0.193 0.000 1.210 70 N HN 0.186 nan 8.380 nan 0.000 0.437 71 A N 1.838 124.746 122.820 0.146 0.000 2.567 71 A HA 0.039 4.989 4.320 1.049 0.000 0.240 71 A C 0.785 178.467 177.584 0.163 0.000 1.053 71 A CA 0.188 52.303 52.037 0.130 0.000 0.755 71 A CB -0.469 18.581 19.000 0.084 0.000 0.978 71 A HN 0.495 nan 8.150 nan 0.000 0.507 72 N N 0.350 119.135 118.700 0.142 0.000 2.721 72 N HA -0.192 5.178 4.740 1.049 0.000 0.249 72 N C 0.322 175.930 175.510 0.163 0.000 1.072 72 N CA 1.683 54.813 53.050 0.133 0.000 0.710 72 N CB -0.995 37.559 38.487 0.112 0.000 0.993 72 N HN 0.804 nan 8.380 nan 0.000 0.547 73 S N -2.287 113.518 115.700 0.176 0.000 4.428 73 S HA 0.513 5.613 4.470 1.049 0.000 0.199 73 S C 0.007 174.680 174.600 0.122 0.000 1.156 73 S CA 0.458 58.767 58.200 0.182 0.000 1.134 73 S CB -0.493 62.856 63.200 0.249 0.000 1.531 73 S HN 0.693 nan 8.310 nan 0.000 0.551 74 A N 3.182 126.087 122.820 0.142 0.000 2.498 74 A HA 0.603 5.552 4.320 1.049 0.000 0.239 74 A C 0.306 177.868 177.584 -0.036 0.000 1.068 74 A CA 0.063 52.130 52.037 0.050 0.000 0.766 74 A CB -0.106 19.013 19.000 0.198 0.000 1.003 74 A HN 0.733 nan 8.150 nan 0.000 0.497 75 R N 0.302 120.631 120.500 -0.284 0.000 2.747 75 R HA 0.701 5.670 4.340 1.049 0.000 0.272 75 R C 0.372 176.380 176.300 -0.487 0.000 1.032 75 R CA -0.391 55.523 56.100 -0.310 0.000 0.896 75 R CB 0.572 30.810 30.300 -0.103 0.000 1.253 75 R HN 2.043 nan 8.270 nan 0.000 0.461 76 G N -0.236 108.372 108.800 -0.318 0.000 2.179 76 G HA2 -0.253 4.336 3.960 1.049 0.000 0.220 76 G HA3 -0.253 4.336 3.960 1.049 0.000 0.220 76 G C 0.187 174.971 174.900 -0.193 0.000 0.990 76 G CA 0.208 45.166 45.100 -0.237 0.000 0.646 76 G HN 0.437 nan 8.290 nan 0.000 0.517 77 F N 1.447 121.406 119.950 0.014 0.000 2.120 77 F HA 0.036 5.188 4.527 1.043 0.000 0.300 77 F C 0.653 176.459 175.800 0.011 0.000 1.095 77 F CA 2.034 60.044 58.000 0.016 0.000 1.249 77 F CB -1.573 37.440 39.000 0.020 0.000 0.995 77 F HN 0.245 nan 8.300 nan 0.000 0.480 78 P HA -0.101 nan 4.420 nan 0.000 0.218 78 P C 1.887 179.222 177.300 0.058 0.000 1.149 78 P CA 1.134 64.294 63.100 0.100 0.000 0.817 78 P CB 0.014 31.759 31.700 0.075 0.000 0.785 79 V N -0.261 119.673 119.914 0.033 0.000 2.427 79 V HA -0.189 4.560 4.120 1.049 0.000 0.248 79 V C 2.254 178.356 176.094 0.013 0.000 1.051 79 V CA 1.395 63.700 62.300 0.008 0.000 1.048 79 V CB -0.999 30.813 31.823 -0.018 0.000 0.666 79 V HN 0.057 nan 8.190 nan 0.000 0.456 80 I N 0.253 120.841 120.570 0.031 0.000 2.315 80 I HA -0.166 4.633 4.170 1.049 0.000 0.248 80 I C 2.281 178.423 176.117 0.043 0.000 1.117 80 I CA 1.468 62.792 61.300 0.039 0.000 1.404 80 I CB -1.245 36.803 38.000 0.081 0.000 1.071 80 I HN 0.342 nan 8.210 nan 0.000 0.419 81 D N 0.519 120.954 120.400 0.060 0.000 2.117 81 D HA -0.201 5.069 4.640 1.049 0.000 0.197 81 D C 2.269 178.583 176.300 0.022 0.000 0.987 81 D CA 1.002 55.028 54.000 0.044 0.000 0.829 81 D CB -0.198 40.632 40.800 0.050 0.000 0.961 81 D HN 0.299 nan 8.370 nan 0.000 0.460 82 R N 0.579 121.090 120.500 0.018 0.000 2.073 82 R HA -0.122 4.847 4.340 1.049 0.000 0.234 82 R C 2.562 178.860 176.300 -0.004 0.000 1.134 82 R CA 1.591 57.695 56.100 0.006 0.000 0.952 82 R CB -0.150 30.152 30.300 0.005 0.000 0.850 82 R HN 0.236 nan 8.270 nan 0.000 0.433 83 M N -0.335 119.261 119.600 -0.008 0.000 2.229 83 M HA -0.028 5.081 4.480 1.049 0.000 0.264 83 M C 2.015 178.301 176.300 -0.024 0.000 1.063 83 M CA 1.654 56.941 55.300 -0.020 0.000 1.114 83 M CB -0.284 32.300 32.600 -0.028 0.000 1.387 83 M HN -0.146 nan 8.290 nan 0.000 0.420 84 K N 1.609 122.001 120.400 -0.013 0.000 2.057 84 K HA 0.016 4.965 4.320 1.049 0.000 0.207 84 K C 2.044 178.634 176.600 -0.017 0.000 1.049 84 K CA 2.085 58.363 56.287 -0.016 0.000 0.931 84 K CB -0.746 31.755 32.500 0.002 0.000 0.714 84 K HN 0.420 nan 8.250 nan 0.000 0.440 85 A N 0.550 123.365 122.820 -0.009 0.000 1.902 85 A HA -0.028 4.922 4.320 1.049 0.000 0.217 85 A C 2.396 179.970 177.584 -0.016 0.000 1.181 85 A CA 2.063 54.095 52.037 -0.009 0.000 0.623 85 A CB -1.098 17.900 19.000 -0.003 0.000 0.818 85 A HN 0.450 nan 8.150 nan 0.000 0.443 86 A N -0.667 122.141 122.820 -0.019 0.000 1.902 86 A HA 0.014 4.963 4.320 1.049 0.000 0.217 86 A C 2.207 179.771 177.584 -0.033 0.000 1.181 86 A CA 1.764 53.786 52.037 -0.024 0.000 0.623 86 A CB -0.842 18.144 19.000 -0.024 0.000 0.818 86 A HN 0.389 nan 8.150 nan 0.000 0.443 87 V N 0.135 120.023 119.914 -0.044 0.000 2.427 87 V HA -0.161 4.588 4.120 1.049 0.000 0.248 87 V C 2.478 178.539 176.094 -0.056 0.000 1.051 87 V CA 1.887 64.149 62.300 -0.063 0.000 1.048 87 V CB -0.627 31.142 31.823 -0.089 0.000 0.666 87 V HN 0.484 nan 8.190 nan 0.000 0.456 88 E N 0.199 120.374 120.200 -0.041 0.000 2.150 88 E HA -0.128 4.852 4.350 1.049 0.000 0.193 88 E C 2.469 179.055 176.600 -0.024 0.000 0.985 88 E CA 1.342 57.725 56.400 -0.030 0.000 0.814 88 E CB -0.186 29.504 29.700 -0.018 0.000 0.752 88 E HN 0.563 nan 8.360 nan 0.000 0.466 89 S N 0.609 116.295 115.700 -0.023 0.000 2.371 89 S HA -0.053 5.046 4.470 1.049 0.000 0.224 89 S C 2.037 176.625 174.600 -0.021 0.000 1.029 89 S CA 0.932 59.121 58.200 -0.018 0.000 0.978 89 S CB -0.006 63.184 63.200 -0.016 0.000 0.833 89 S HN 0.379 nan 8.310 nan 0.000 0.466 90 A N 0.604 123.407 122.820 -0.028 0.000 1.929 90 A HA 0.005 4.955 4.320 1.049 0.000 0.216 90 A C 1.385 178.951 177.584 -0.030 0.000 1.176 90 A CA 1.109 53.129 52.037 -0.029 0.000 0.628 90 A CB -0.502 18.476 19.000 -0.037 0.000 0.816 90 A HN 0.771 nan 8.150 nan 0.000 0.444 91 c N -3.239 115.338 118.600 -0.038 0.000 3.233 91 c HA 0.591 5.790 4.570 1.049 0.000 0.299 91 c C -3.259 170.813 174.090 -0.029 0.000 1.060 91 c CA -2.822 53.486 56.329 -0.034 0.000 1.382 91 c CB 0.077 42.558 42.510 -0.048 0.000 1.828 91 c HN 0.154 nan 8.230 nan 0.000 0.530 92 P HA 0.113 nan 4.420 nan 0.000 0.262 92 P C 0.369 177.671 177.300 0.002 0.000 1.182 92 P CA 0.999 64.094 63.100 -0.008 0.000 0.761 92 P CB 0.258 31.956 31.700 -0.003 0.000 0.795 93 R N 0.543 121.046 120.500 0.006 0.000 3.405 93 R HA -0.189 4.781 4.340 1.049 0.000 0.258 93 R C 0.443 176.769 176.300 0.043 0.000 1.030 93 R CA 0.973 57.087 56.100 0.023 0.000 0.691 93 R CB -2.701 27.615 30.300 0.026 0.000 1.093 93 R HN 0.527 nan 8.270 nan 0.000 0.448 94 T N -1.516 113.056 114.554 0.030 0.000 3.138 94 T HA 0.130 5.109 4.350 1.049 0.000 0.245 94 T C 0.674 175.433 174.700 0.099 0.000 0.982 94 T CA 0.408 62.552 62.100 0.073 0.000 1.134 94 T CB 0.606 69.490 68.868 0.026 0.000 1.032 94 T HN 0.044 nan 8.240 nan 0.000 0.442 95 V N 4.376 124.226 119.914 -0.106 0.000 2.406 95 V HA 0.420 5.170 4.120 1.049 0.000 0.272 95 V C 0.510 176.592 176.094 -0.021 0.000 1.043 95 V CA -1.062 61.095 62.300 -0.237 0.000 0.915 95 V CB 0.820 32.339 31.823 -0.507 0.000 0.988 95 V HN 0.589 nan 8.190 nan 0.000 0.466 96 S N 3.450 119.215 115.700 0.109 0.000 2.584 96 S HA 0.041 5.141 4.470 1.049 0.000 0.270 96 S C 1.225 175.852 174.600 0.046 0.000 1.346 96 S CA -0.412 57.838 58.200 0.083 0.000 1.018 96 S CB 0.796 64.056 63.200 0.099 0.000 0.899 96 S HN 0.728 nan 8.310 nan 0.000 0.542 97 c N 1.546 120.172 118.600 0.043 0.000 2.435 97 c HA 0.048 5.247 4.570 1.049 0.000 0.279 97 c C 3.115 177.238 174.090 0.055 0.000 1.321 97 c CA 0.836 57.191 56.329 0.042 0.000 1.752 97 c CB -2.095 40.445 42.510 0.051 0.000 1.959 97 c HN 1.012 nan 8.230 nan 0.000 0.500 98 A N 0.820 123.678 122.820 0.063 0.000 1.877 98 A HA -0.212 4.737 4.320 1.049 0.000 0.216 98 A C 1.815 179.441 177.584 0.070 0.000 1.186 98 A CA 2.216 54.298 52.037 0.076 0.000 0.620 98 A CB -0.567 18.469 19.000 0.060 0.000 0.822 98 A HN 0.504 nan 8.150 nan 0.000 0.443 99 D N -0.695 119.743 120.400 0.063 0.000 2.123 99 D HA -0.081 5.189 4.640 1.049 0.000 0.200 99 D C 1.861 178.174 176.300 0.022 0.000 0.976 99 D CA 0.981 55.024 54.000 0.072 0.000 0.831 99 D CB -0.357 40.567 40.800 0.207 0.000 0.974 99 D HN 0.306 nan 8.370 nan 0.000 0.469 100 L N 0.525 121.751 121.223 0.005 0.000 2.012 100 L HA -0.151 4.818 4.340 1.049 0.000 0.210 100 L C 2.080 178.921 176.870 -0.047 0.000 1.073 100 L CA 1.342 56.160 54.840 -0.036 0.000 0.748 100 L CB -0.548 41.493 42.059 -0.031 0.000 0.891 100 L HN 0.035 nan 8.230 nan 0.000 0.431 101 L N -1.260 119.954 121.223 -0.014 0.000 2.141 101 L HA -0.139 4.830 4.340 1.049 0.000 0.209 101 L C 2.270 179.041 176.870 -0.165 0.000 1.094 101 L CA 2.214 57.043 54.840 -0.018 0.000 0.763 101 L CB -0.955 41.157 42.059 0.088 0.000 0.908 101 L HN 0.328 nan 8.230 nan 0.000 0.437 102 T N -0.197 114.221 114.554 -0.227 0.000 2.737 102 T HA -0.115 4.864 4.350 1.049 0.000 0.265 102 T C 1.969 176.429 174.700 -0.400 0.000 1.038 102 T CA 1.941 63.712 62.100 -0.549 0.000 1.144 102 T CB -0.260 68.472 68.868 -0.227 0.000 0.866 102 T HN 0.315 nan 8.240 nan 0.000 0.434 103 I N 1.428 121.859 120.570 -0.232 0.000 2.286 103 I HA -0.150 4.649 4.170 1.049 0.000 0.248 103 I C 2.937 178.921 176.117 -0.222 0.000 1.115 103 I CA 0.998 62.164 61.300 -0.223 0.000 1.392 103 I CB -0.506 37.412 38.000 -0.137 0.000 1.065 103 I HN 0.186 nan 8.210 nan 0.000 0.418 104 A N 0.891 123.609 122.820 -0.171 0.000 1.933 104 A HA -0.161 4.788 4.320 1.049 0.000 0.218 104 A C 2.558 180.063 177.584 -0.131 0.000 1.175 104 A CA 1.879 53.839 52.037 -0.127 0.000 0.628 104 A CB -0.746 18.205 19.000 -0.082 0.000 0.814 104 A HN 0.433 nan 8.150 nan 0.000 0.444 105 A N -0.973 121.745 122.820 -0.172 0.000 1.877 105 A HA -0.207 4.743 4.320 1.049 0.000 0.216 105 A C 2.230 179.741 177.584 -0.121 0.000 1.186 105 A CA 1.797 53.775 52.037 -0.098 0.000 0.620 105 A CB -0.549 18.369 19.000 -0.137 0.000 0.822 105 A HN 0.556 nan 8.150 nan 0.000 0.443 106 Q N -0.696 118.925 119.800 -0.299 0.000 2.050 106 Q HA -0.218 4.751 4.340 1.049 0.000 0.202 106 Q C 2.034 177.784 176.000 -0.416 0.000 0.980 106 Q CA 1.825 57.294 55.803 -0.557 0.000 0.840 106 Q CB -0.337 27.791 28.738 -1.016 0.000 0.898 106 Q HN 0.647 nan 8.270 nan 0.000 0.424 107 Q N 0.024 119.643 119.800 -0.302 0.000 2.124 107 Q HA -0.059 4.911 4.340 1.049 0.000 0.202 107 Q C 2.230 178.156 176.000 -0.124 0.000 0.977 107 Q CA 1.341 57.022 55.803 -0.203 0.000 0.850 107 Q CB -0.243 28.402 28.738 -0.155 0.000 0.901 107 Q HN 0.298 nan 8.270 nan 0.000 0.429 108 S N 0.325 115.976 115.700 -0.081 0.000 2.368 108 S HA -0.097 5.002 4.470 1.049 0.000 0.225 108 S C 2.183 176.801 174.600 0.030 0.000 1.030 108 S CA 1.083 59.288 58.200 0.010 0.000 0.999 108 S CB -0.181 63.052 63.200 0.056 0.000 0.844 108 S HN 0.144 nan 8.310 nan 0.000 0.459 109 V N 1.678 121.550 119.914 -0.070 0.000 2.295 109 V HA -0.189 4.560 4.120 1.049 0.000 0.246 109 V C 2.515 178.404 176.094 -0.343 0.000 1.049 109 V CA 2.159 64.258 62.300 -0.334 0.000 1.024 109 V CB -1.307 30.252 31.823 -0.440 0.000 0.648 109 V HN 0.516 nan 8.190 nan 0.000 0.447 110 T N 0.311 114.731 114.554 -0.223 0.000 2.746 110 T HA -0.122 4.857 4.350 1.049 0.000 0.267 110 T C 1.888 176.538 174.700 -0.084 0.000 1.039 110 T CA 1.420 63.424 62.100 -0.160 0.000 1.142 110 T CB -0.313 68.473 68.868 -0.137 0.000 0.866 110 T HN 0.288 nan 8.240 nan 0.000 0.444 111 L N 0.686 121.878 121.223 -0.051 0.000 2.191 111 L HA -0.028 4.942 4.340 1.049 0.000 0.212 111 L C 2.637 179.534 176.870 0.044 0.000 1.103 111 L CA 0.876 55.715 54.840 -0.001 0.000 0.769 111 L CB -0.452 41.612 42.059 0.007 0.000 0.908 111 L HN 0.239 nan 8.230 nan 0.000 0.438 112 A N -0.824 122.036 122.820 0.066 0.000 2.238 112 A HA 0.335 5.284 4.320 1.049 0.000 0.208 112 A C 1.647 179.293 177.584 0.104 0.000 1.177 112 A CA 0.726 52.847 52.037 0.141 0.000 0.804 112 A CB -0.288 18.881 19.000 0.283 0.000 0.823 112 A HN 0.512 nan 8.150 nan 0.000 0.482 113 G N -2.204 106.626 108.800 0.051 0.000 2.179 113 G HA2 -0.027 4.563 3.960 1.049 0.000 0.220 113 G HA3 -0.027 4.563 3.960 1.049 0.000 0.220 113 G C 0.763 175.712 174.900 0.083 0.000 0.990 113 G CA 0.176 45.330 45.100 0.090 0.000 0.646 113 G HN 1.261 nan 8.290 nan 0.000 0.517 114 G N 0.350 109.057 108.800 -0.154 0.000 2.508 114 G HA2 0.673 5.262 3.960 1.049 0.000 0.278 114 G HA3 0.673 5.262 3.960 1.049 0.000 0.278 114 G C -1.566 172.970 174.900 -0.607 0.000 1.389 114 G CA -0.309 44.424 45.100 -0.611 0.000 1.050 114 G HN 0.307 nan 8.290 nan 0.000 0.522 115 P HA 0.192 nan 4.420 nan 0.000 0.272 115 P C -0.617 176.702 177.300 0.032 0.000 1.230 115 P CA -0.035 62.850 63.100 -0.357 0.000 0.788 115 P CB 1.469 32.894 31.700 -0.459 0.000 0.949 116 S N 1.522 117.306 115.700 0.141 0.000 2.478 116 S HA 0.743 5.842 4.470 1.049 0.000 0.312 116 S C -1.433 173.355 174.600 0.314 0.000 1.094 116 S CA -0.596 57.699 58.200 0.158 0.000 1.081 116 S CB 0.018 63.243 63.200 0.043 0.000 1.007 116 S HN 0.615 nan 8.310 nan 0.000 0.475 117 W N 3.551 124.799 121.300 -0.087 0.000 3.066 117 W HA 0.609 5.897 4.660 1.047 0.000 0.330 117 W C -1.755 174.733 176.519 -0.053 0.000 1.253 117 W CA -1.091 56.216 57.345 -0.063 0.000 1.187 117 W CB 0.609 30.027 29.460 -0.070 0.000 1.434 117 W HN 0.471 nan 8.180 nan 0.000 0.572 118 R N 2.778 123.276 120.500 -0.003 0.000 2.198 118 R HA 0.436 5.405 4.340 1.049 0.000 0.339 118 R C 0.123 176.382 176.300 -0.068 0.000 1.020 118 R CA -0.782 55.248 56.100 -0.117 0.000 0.864 118 R CB 1.322 31.616 30.300 -0.010 0.000 1.105 118 R HN 0.536 nan 8.270 nan 0.000 0.463 119 V N 1.469 121.237 119.914 -0.243 0.000 2.811 119 V HA 0.320 5.069 4.120 1.049 0.000 0.302 119 V C -2.224 173.877 176.094 0.011 0.000 1.063 119 V CA -2.161 60.103 62.300 -0.059 0.000 1.088 119 V CB 0.549 32.280 31.823 -0.154 0.000 0.982 119 V HN 0.531 nan 8.190 nan 0.000 0.485 120 P HA 0.431 nan 4.420 nan 0.000 0.268 120 P C -0.671 176.616 177.300 -0.023 0.000 1.205 120 P CA 0.122 63.234 63.100 0.021 0.000 0.771 120 P CB 0.535 32.252 31.700 0.029 0.000 0.858 121 L N 1.078 122.259 121.223 -0.071 0.000 2.303 121 L HA 0.767 5.737 4.340 1.049 0.000 0.256 121 L C 1.073 177.642 176.870 -0.503 0.000 1.034 121 L CA -0.555 54.178 54.840 -0.180 0.000 0.832 121 L CB 1.936 43.941 42.059 -0.088 0.000 1.403 121 L HN 0.622 nan 8.230 nan 0.000 0.419 122 G N 0.175 108.444 108.800 -0.885 0.000 2.198 122 G HA2 -0.131 4.458 3.960 1.049 0.000 0.156 122 G HA3 -0.131 4.458 3.960 1.049 0.000 0.156 122 G C 0.039 174.537 174.900 -0.669 0.000 1.012 122 G CA -0.678 43.522 45.100 -1.501 0.000 0.692 122 G HN 0.442 nan 8.290 nan 0.000 0.492 123 R N 0.196 120.487 120.500 -0.348 0.000 2.641 123 R HA 0.698 5.668 4.340 1.049 0.000 0.269 123 R C 0.546 176.789 176.300 -0.096 0.000 1.074 123 R CA 0.098 56.104 56.100 -0.157 0.000 1.133 123 R CB 0.613 30.877 30.300 -0.060 0.000 1.029 123 R HN 0.262 nan 8.270 nan 0.000 0.488 124 R N 0.229 120.702 120.500 -0.044 0.000 2.888 124 R HA 0.267 5.236 4.340 1.049 0.000 0.266 124 R C -1.050 175.262 176.300 0.021 0.000 1.020 124 R CA -0.993 55.108 56.100 0.002 0.000 0.963 124 R CB 1.362 31.665 30.300 0.006 0.000 1.197 124 R HN 0.515 nan 8.270 nan 0.000 0.481 125 D N 0.942 121.363 120.400 0.035 0.000 2.256 125 D HA 0.083 5.353 4.640 1.049 0.000 0.250 125 D C 0.084 176.405 176.300 0.036 0.000 1.093 125 D CA -0.021 54.002 54.000 0.039 0.000 0.882 125 D CB 1.490 42.316 40.800 0.042 0.000 1.185 125 D HN 0.486 nan 8.370 nan 0.000 0.437 126 S N 1.082 116.807 115.700 0.042 0.000 2.584 126 S HA 0.114 5.214 4.470 1.049 0.000 0.270 126 S C 0.960 175.555 174.600 -0.008 0.000 1.346 126 S CA -0.421 57.804 58.200 0.041 0.000 1.018 126 S CB 0.616 63.871 63.200 0.092 0.000 0.899 126 S HN 0.448 nan 8.310 nan 0.000 0.542 127 L N 1.021 122.224 121.223 -0.034 0.000 2.667 127 L HA 0.305 5.274 4.340 1.049 0.000 0.232 127 L C 0.789 177.555 176.870 -0.175 0.000 1.138 127 L CA -0.182 54.628 54.840 -0.050 0.000 0.921 127 L CB -0.670 41.381 42.059 -0.012 0.000 1.180 127 L HN 0.851 nan 8.230 nan 0.000 0.487 128 Q N -1.043 118.511 119.800 -0.410 0.000 2.687 128 Q HA 0.727 5.697 4.340 1.049 0.000 0.295 128 Q C -1.717 173.529 176.000 -1.257 0.000 0.920 128 Q CA -0.918 54.259 55.803 -1.043 0.000 0.766 128 Q CB 2.045 30.218 28.738 -0.942 0.000 1.467 128 Q HN -0.086 nan 8.270 nan 0.000 0.415 129 A N 0.675 122.469 122.820 -1.711 0.000 2.330 129 A HA 0.838 5.787 4.320 1.049 0.000 0.329 129 A C -1.387 175.549 177.584 -1.080 0.000 1.135 129 A CA -0.697 50.740 52.037 -0.999 0.000 0.817 129 A CB 0.720 19.440 19.000 -0.468 0.000 1.269 129 A HN 0.525 nan 8.150 nan 0.000 0.469 130 F N 2.062 121.907 119.950 -0.174 0.000 2.564 130 F HA 0.273 5.427 4.527 1.045 0.000 0.361 130 F C 0.822 176.585 175.800 -0.061 0.000 1.161 130 F CA -0.488 57.447 58.000 -0.108 0.000 1.198 130 F CB 1.107 40.049 39.000 -0.096 0.000 1.424 130 F HN 0.499 nan 8.300 nan 0.000 0.517 131 L N 1.123 122.381 121.223 0.058 0.000 2.017 131 L HA -0.125 4.845 4.340 1.049 0.000 0.208 131 L C 1.850 178.747 176.870 0.045 0.000 1.073 131 L CA 2.132 56.991 54.840 0.032 0.000 0.745 131 L CB -0.364 41.696 42.059 0.002 0.000 0.894 131 L HN 0.355 nan 8.230 nan 0.000 0.432 132 D N -0.559 119.882 120.400 0.068 0.000 2.117 132 D HA -0.191 5.078 4.640 1.049 0.000 0.197 132 D C 2.209 178.561 176.300 0.087 0.000 0.987 132 D CA 1.422 55.469 54.000 0.079 0.000 0.829 132 D CB -0.143 40.706 40.800 0.082 0.000 0.961 132 D HN 0.308 nan 8.370 nan 0.000 0.460 133 L N 0.939 122.222 121.223 0.099 0.000 2.093 133 L HA -0.048 4.922 4.340 1.049 0.000 0.208 133 L C 2.156 179.050 176.870 0.039 0.000 1.085 133 L CA 1.380 56.254 54.840 0.058 0.000 0.755 133 L CB -0.625 41.447 42.059 0.022 0.000 0.904 133 L HN -0.064 nan 8.230 nan 0.000 0.435 134 A N -0.668 122.179 122.820 0.046 0.000 1.898 134 A HA -0.186 4.763 4.320 1.049 0.000 0.216 134 A C 2.062 179.658 177.584 0.021 0.000 1.181 134 A CA 1.678 53.715 52.037 0.000 0.000 0.620 134 A CB -0.668 18.325 19.000 -0.013 0.000 0.819 134 A HN 0.551 nan 8.150 nan 0.000 0.442 135 N N 0.316 119.060 118.700 0.073 0.000 2.244 135 N HA -0.058 5.311 4.740 1.049 0.000 0.183 135 N C 1.726 177.353 175.510 0.195 0.000 1.016 135 N CA 1.424 54.586 53.050 0.185 0.000 0.866 135 N CB -0.387 38.248 38.487 0.246 0.000 0.980 135 N HN 0.493 nan 8.380 nan 0.000 0.430 136 A N 0.570 123.473 122.820 0.138 0.000 1.935 136 A HA 0.048 4.998 4.320 1.049 0.000 0.214 136 A C 1.873 179.539 177.584 0.136 0.000 1.178 136 A CA 0.884 53.003 52.037 0.138 0.000 0.640 136 A CB -0.070 18.989 19.000 0.098 0.000 0.825 136 A HN 0.162 nan 8.150 nan 0.000 0.447 137 N N -0.278 118.476 118.700 0.090 0.000 2.409 137 N HA 0.149 5.518 4.740 1.049 0.000 0.174 137 N C 0.188 175.779 175.510 0.135 0.000 1.037 137 N CA 0.197 53.307 53.050 0.101 0.000 0.898 137 N CB -0.210 38.295 38.487 0.030 0.000 1.010 137 N HN 0.376 nan 8.380 nan 0.000 0.445 138 L N 3.344 124.571 121.223 0.005 0.000 2.410 138 L HA 0.215 5.184 4.340 1.049 0.000 0.273 138 L C -1.792 175.002 176.870 -0.127 0.000 1.144 138 L CA -1.410 53.339 54.840 -0.152 0.000 0.863 138 L CB 0.371 42.200 42.059 -0.383 0.000 1.140 138 L HN -0.013 nan 8.230 nan 0.000 0.463 139 P HA 0.250 nan 4.420 nan 0.000 0.274 139 P C -1.069 175.723 177.300 -0.848 0.000 1.246 139 P CA -0.458 62.329 63.100 -0.522 0.000 0.795 139 P CB 1.327 32.977 31.700 -0.082 0.000 1.006 140 A N 1.787 123.570 122.820 -1.728 0.000 2.380 140 A HA 0.584 5.534 4.320 1.049 0.000 0.315 140 A C -1.765 175.285 177.584 -0.891 0.000 1.101 140 A CA -1.678 49.620 52.037 -1.231 0.000 0.771 140 A CB 0.888 18.905 19.000 -1.639 0.000 1.287 140 A HN 0.347 nan 8.150 nan 0.000 0.436 141 P HA -0.130 nan 4.420 nan 0.000 0.222 141 P C 0.763 178.096 177.300 0.055 0.000 1.147 141 P CA 1.291 64.313 63.100 -0.130 0.000 0.790 141 P CB -0.150 31.526 31.700 -0.039 0.000 0.780 142 F N -3.453 116.620 119.950 0.205 0.000 2.773 142 F HA 0.367 5.001 4.527 0.178 0.000 0.304 142 F C 0.589 176.623 175.800 0.391 0.000 1.129 142 F CA -1.556 56.615 58.000 0.285 0.000 1.378 142 F CB -1.335 37.807 39.000 0.237 0.000 1.095 142 F HN -0.362 nan 8.300 nan 0.000 0.565 143 F N 2.626 122.566 119.950 -0.017 0.000 2.506 143 F HA 0.265 5.423 4.527 1.051 0.000 0.351 143 F C 1.384 177.265 175.800 0.136 0.000 1.136 143 F CA -1.299 56.741 58.000 0.067 0.000 1.298 143 F CB 0.561 39.558 39.000 -0.005 0.000 1.145 143 F HN 0.089 nan 8.300 nan 0.000 0.593 144 T N 0.953 115.652 114.554 0.240 0.000 2.788 144 T HA 0.238 5.218 4.350 1.049 0.000 0.280 144 T C 1.132 175.925 174.700 0.155 0.000 0.984 144 T CA -0.785 61.420 62.100 0.176 0.000 0.972 144 T CB 0.811 69.740 68.868 0.101 0.000 1.039 144 T HN 0.473 nan 8.240 nan 0.000 0.530 145 L N 1.408 122.703 121.223 0.120 0.000 2.046 145 L HA 0.155 5.124 4.340 1.049 0.000 0.208 145 L C -0.892 176.022 176.870 0.073 0.000 1.077 145 L CA 1.616 56.512 54.840 0.093 0.000 0.747 145 L CB -1.689 40.408 42.059 0.064 0.000 0.896 145 L HN 0.531 nan 8.230 nan 0.000 0.432 146 P HA -0.177 nan 4.420 nan 0.000 0.216 146 P C 1.471 178.791 177.300 0.033 0.000 1.150 146 P CA 1.462 64.582 63.100 0.034 0.000 0.837 146 P CB -0.020 31.690 31.700 0.017 0.000 0.786 147 Q N -0.992 118.811 119.800 0.005 0.000 2.119 147 Q HA -0.074 4.896 4.340 1.049 0.000 0.201 147 Q C 2.141 178.236 176.000 0.157 0.000 0.972 147 Q CA 1.031 56.782 55.803 -0.087 0.000 0.847 147 Q CB -0.585 27.895 28.738 -0.429 0.000 0.903 147 Q HN 0.291 nan 8.270 nan 0.000 0.433 148 L N 0.570 121.954 121.223 0.269 0.000 2.027 148 L HA -0.203 4.766 4.340 1.049 0.000 0.206 148 L C 2.276 179.298 176.870 0.254 0.000 1.074 148 L CA 1.285 56.330 54.840 0.342 0.000 0.745 148 L CB -0.315 41.852 42.059 0.179 0.000 0.898 148 L HN 0.128 nan 8.230 nan 0.000 0.433 149 K N -0.155 120.325 120.400 0.133 0.000 2.057 149 K HA -0.185 4.765 4.320 1.049 0.000 0.207 149 K C 1.741 178.455 176.600 0.190 0.000 1.049 149 K CA 1.565 57.921 56.287 0.115 0.000 0.931 149 K CB -0.202 32.335 32.500 0.063 0.000 0.714 149 K HN 0.239 nan 8.250 nan 0.000 0.440 150 D N 0.369 120.865 120.400 0.160 0.000 2.123 150 D HA -0.148 5.122 4.640 1.049 0.000 0.196 150 D C 2.118 178.547 176.300 0.215 0.000 0.992 150 D CA 1.746 55.830 54.000 0.140 0.000 0.833 150 D CB -0.329 40.515 40.800 0.074 0.000 0.954 150 D HN 0.201 nan 8.370 nan 0.000 0.455 151 S N -0.161 115.746 115.700 0.346 0.000 2.368 151 S HA -0.169 4.930 4.470 1.049 0.000 0.225 151 S C 2.069 176.929 174.600 0.434 0.000 1.030 151 S CA 0.704 59.169 58.200 0.442 0.000 0.999 151 S CB -0.739 62.853 63.200 0.653 0.000 0.844 151 S HN 0.088 nan 8.310 nan 0.000 0.459 152 F N 2.286 122.394 119.950 0.263 0.000 2.163 152 F HA 0.227 5.378 4.527 1.039 0.000 0.297 152 F C 2.764 178.570 175.800 0.011 0.000 1.094 152 F CA 0.743 58.858 58.000 0.193 0.000 1.290 152 F CB -0.507 38.639 39.000 0.244 0.000 1.017 152 F HN 0.109 nan 8.300 nan 0.000 0.483 153 R N -0.142 120.491 120.500 0.223 0.000 2.096 153 R HA -0.201 4.768 4.340 1.049 0.000 0.235 153 R C 1.917 178.223 176.300 0.010 0.000 1.127 153 R CA 1.480 57.636 56.100 0.094 0.000 0.968 153 R CB -0.741 29.613 30.300 0.091 0.000 0.861 153 R HN 0.237 nan 8.270 nan 0.000 0.440 154 N N 0.707 119.416 118.700 0.015 0.000 2.205 154 N HA -0.144 5.225 4.740 1.049 0.000 0.186 154 N C 1.504 176.935 175.510 -0.131 0.000 1.015 154 N CA 1.581 54.610 53.050 -0.035 0.000 0.862 154 N CB 0.126 38.617 38.487 0.007 0.000 0.986 154 N HN 0.176 nan 8.380 nan 0.000 0.429 155 V N -4.602 115.156 119.914 -0.260 0.000 3.649 155 V HA 0.533 5.282 4.120 1.049 0.000 0.275 155 V C 1.254 177.164 176.094 -0.307 0.000 1.281 155 V CA 0.579 62.641 62.300 -0.396 0.000 1.143 155 V CB -0.145 31.175 31.823 -0.838 0.000 0.892 155 V HN 0.329 nan 8.190 nan 0.000 0.441 156 G N 0.547 109.229 108.800 -0.195 0.000 2.192 156 G HA2 -0.144 4.445 3.960 1.049 0.000 0.193 156 G HA3 -0.144 4.445 3.960 1.049 0.000 0.193 156 G C -0.176 174.682 174.900 -0.070 0.000 0.999 156 G CA -0.071 44.956 45.100 -0.122 0.000 0.659 156 G HN 0.474 nan 8.290 nan 0.000 0.503 157 L N 1.645 122.841 121.223 -0.046 0.000 2.321 157 L HA 0.411 5.380 4.340 1.049 0.000 0.272 157 L C 0.993 177.946 176.870 0.139 0.000 1.050 157 L CA -0.925 53.959 54.840 0.073 0.000 0.893 157 L CB 0.895 43.053 42.059 0.166 0.000 1.272 157 L HN -0.040 nan 8.230 nan 0.000 0.435 158 N N 1.618 120.369 118.700 0.086 0.000 2.354 158 N HA 0.001 5.370 4.740 1.049 0.000 0.179 158 N C 0.459 176.020 175.510 0.086 0.000 1.021 158 N CA 0.611 53.709 53.050 0.080 0.000 0.887 158 N CB 0.208 38.722 38.487 0.045 0.000 0.974 158 N HN 0.469 nan 8.380 nan 0.000 0.437 159 R N 0.616 121.171 120.500 0.093 0.000 2.438 159 R HA 0.129 5.098 4.340 1.049 0.000 0.287 159 R C 1.466 177.816 176.300 0.083 0.000 1.077 159 R CA -0.022 56.126 56.100 0.080 0.000 1.034 159 R CB 0.645 30.991 30.300 0.076 0.000 0.993 159 R HN 0.138 nan 8.270 nan 0.000 0.459 160 S N 0.905 116.635 115.700 0.051 0.000 2.399 160 S HA -0.217 4.882 4.470 1.049 0.000 0.231 160 S C 1.987 176.621 174.600 0.057 0.000 1.022 160 S CA 1.491 59.708 58.200 0.028 0.000 0.983 160 S CB -0.127 63.078 63.200 0.008 0.000 0.803 160 S HN 0.611 nan 8.310 nan 0.000 0.480 161 S N 1.656 117.410 115.700 0.091 0.000 2.382 161 S HA -0.150 4.949 4.470 1.049 0.000 0.228 161 S C 1.545 176.271 174.600 0.209 0.000 1.027 161 S CA 1.372 59.675 58.200 0.173 0.000 0.991 161 S CB -0.782 62.522 63.200 0.174 0.000 0.823 161 S HN 0.564 nan 8.310 nan 0.000 0.469 162 D N 1.150 121.650 120.400 0.167 0.000 2.092 162 D HA -0.105 5.165 4.640 1.049 0.000 0.193 162 D C 1.941 178.380 176.300 0.231 0.000 0.994 162 D CA 1.162 55.292 54.000 0.218 0.000 0.828 162 D CB -0.594 40.378 40.800 0.288 0.000 0.963 162 D HN 0.382 nan 8.370 nan 0.000 0.450 163 L N 0.869 122.111 121.223 0.033 0.000 2.017 163 L HA -0.144 4.825 4.340 1.049 0.000 0.208 163 L C 2.286 179.112 176.870 -0.074 0.000 1.073 163 L CA 1.413 56.026 54.840 -0.378 0.000 0.745 163 L CB -0.530 41.204 42.059 -0.540 0.000 0.894 163 L HN -0.129 nan 8.230 nan 0.000 0.432 164 V N 0.068 120.048 119.914 0.110 0.000 2.358 164 V HA -0.224 4.525 4.120 1.049 0.000 0.246 164 V C 2.774 179.201 176.094 0.554 0.000 1.047 164 V CA 1.543 64.028 62.300 0.308 0.000 1.035 164 V CB -1.408 30.570 31.823 0.259 0.000 0.658 164 V HN 0.602 nan 8.190 nan 0.000 0.452 165 A N -0.194 122.959 122.820 0.556 0.000 1.873 165 A HA -0.085 4.865 4.320 1.049 0.000 0.215 165 A C 2.189 180.099 177.584 0.544 0.000 1.186 165 A CA 1.522 53.896 52.037 0.562 0.000 0.616 165 A CB -0.513 18.669 19.000 0.303 0.000 0.823 165 A HN 0.484 nan 8.150 nan 0.000 0.442 166 L N -0.247 121.159 121.223 0.306 0.000 2.201 166 L HA -0.111 4.859 4.340 1.049 0.000 0.212 166 L C 2.560 179.448 176.870 0.029 0.000 1.105 166 L CA 1.114 56.073 54.840 0.199 0.000 0.775 166 L CB -0.292 41.856 42.059 0.148 0.000 0.913 166 L HN 0.282 nan 8.230 nan 0.000 0.440 167 S N 0.121 115.795 115.700 -0.044 0.000 2.469 167 S HA -0.093 5.007 4.470 1.049 0.000 0.238 167 S C 1.956 176.106 174.600 -0.750 0.000 0.998 167 S CA 0.948 58.926 58.200 -0.371 0.000 0.957 167 S CB -0.337 62.798 63.200 -0.109 0.000 0.764 167 S HN 0.617 nan 8.310 nan 0.000 0.514 168 G N 1.085 109.679 108.800 -0.344 0.000 2.586 168 G HA2 -0.002 4.587 3.960 1.049 0.000 0.215 168 G HA3 -0.002 4.587 3.960 1.049 0.000 0.215 168 G C 1.245 175.774 174.900 -0.617 0.000 1.128 168 G CA 0.595 45.314 45.100 -0.635 0.000 0.774 168 G HN 0.551 nan 8.290 nan 0.000 0.543 169 G N -0.462 108.132 108.800 -0.344 0.000 2.498 169 G HA2 -0.126 4.463 3.960 1.049 0.000 0.219 169 G HA3 -0.126 4.463 3.960 1.049 0.000 0.219 169 G C 1.089 175.888 174.900 -0.168 0.000 1.119 169 G CA 0.268 45.308 45.100 -0.100 0.000 0.766 169 G HN 0.683 nan 8.290 nan 0.000 0.552 170 H N -0.571 118.108 119.070 -0.651 0.000 2.592 170 H HA 0.142 5.326 4.556 1.046 0.000 0.291 170 H C 1.988 177.109 175.328 -0.346 0.000 1.052 170 H CA 0.201 55.839 56.048 -0.685 0.000 1.175 170 H CB 0.511 29.745 29.762 -0.879 0.000 1.378 170 H HN 0.244 nan 8.280 nan 0.000 0.576 171 T N 0.664 115.029 114.554 -0.314 0.000 3.113 171 T HA -0.015 4.964 4.350 1.049 0.000 0.256 171 T C -0.156 174.566 174.700 0.037 0.000 1.131 171 T CA 0.178 62.128 62.100 -0.250 0.000 1.074 171 T CB -0.069 68.408 68.868 -0.651 0.000 0.944 171 T HN 0.339 nan 8.240 nan 0.000 0.516 172 F N -1.622 118.292 119.950 -0.060 0.000 2.789 172 F HA 0.719 5.875 4.527 1.049 0.000 0.319 172 F C 0.007 175.871 175.800 0.108 0.000 1.168 172 F CA -1.765 56.265 58.000 0.050 0.000 0.934 172 F CB 0.787 39.824 39.000 0.063 0.000 1.375 172 F HN 0.133 nan 8.300 nan 0.000 0.480 173 G N 1.333 110.188 108.800 0.091 0.000 2.655 173 G HA2 0.225 4.814 3.960 1.049 0.000 0.680 173 G HA3 0.225 4.814 3.960 1.049 0.000 0.680 173 G C -1.710 173.325 174.900 0.225 0.000 1.302 173 G CA -0.768 44.337 45.100 0.009 0.000 0.872 173 G HN 0.780 nan 8.290 nan 0.000 0.540 174 K N -0.029 120.483 120.400 0.188 0.000 2.281 174 K HA 0.703 5.653 4.320 1.049 0.000 0.242 174 K C -0.234 176.429 176.600 0.105 0.000 0.971 174 K CA -0.999 55.359 56.287 0.118 0.000 0.834 174 K CB 2.104 34.635 32.500 0.051 0.000 1.181 174 K HN 0.808 nan 8.250 nan 0.000 0.435 175 N N 0.500 119.126 118.700 -0.123 0.000 2.287 175 N HA 0.099 5.468 4.740 1.049 0.000 0.289 175 N C -1.435 174.067 175.510 -0.014 0.000 1.066 175 N CA -0.372 52.586 53.050 -0.153 0.000 0.841 175 N CB 1.494 39.526 38.487 -0.759 0.000 1.599 175 N HN 0.301 nan 8.380 nan 0.000 0.476 176 Q N 1.773 121.671 119.800 0.163 0.000 2.327 176 Q HA 0.182 5.152 4.340 1.049 0.000 0.254 176 Q C 0.646 176.624 176.000 -0.036 0.000 0.952 176 Q CA -0.485 55.336 55.803 0.029 0.000 0.884 176 Q CB 1.015 29.712 28.738 -0.070 0.000 1.224 176 Q HN 0.748 nan 8.270 nan 0.000 0.422 177 c N 1.732 120.290 118.600 -0.069 0.000 2.403 177 c HA -0.209 4.990 4.570 1.049 0.000 0.279 177 c C 2.461 176.503 174.090 -0.080 0.000 1.269 177 c CA 1.301 57.595 56.329 -0.058 0.000 1.774 177 c CB -1.168 41.319 42.510 -0.039 0.000 1.993 177 c HN 0.955 nan 8.230 nan 0.000 0.496 178 R N 0.319 120.694 120.500 -0.207 0.000 2.117 178 R HA -0.178 4.792 4.340 1.049 0.000 0.243 178 R C 1.547 177.724 176.300 -0.206 0.000 1.143 178 R CA 2.125 58.058 56.100 -0.277 0.000 0.968 178 R CB -0.944 29.065 30.300 -0.486 0.000 0.863 178 R HN 0.409 nan 8.270 nan 0.000 0.444 179 F N 1.478 121.467 119.950 0.065 0.000 2.748 179 F HA 0.182 5.249 4.527 0.901 0.000 0.299 179 F C 1.839 177.691 175.800 0.088 0.000 1.154 179 F CA 0.125 58.183 58.000 0.097 0.000 1.446 179 F CB 0.033 39.081 39.000 0.080 0.000 1.112 179 F HN 0.157 nan 8.300 nan 0.000 0.584 180 I N -5.174 115.496 120.570 0.167 0.000 4.338 180 I HA 0.104 4.903 4.170 1.049 0.000 0.329 180 I C 1.562 177.718 176.117 0.065 0.000 1.378 180 I CA 0.017 61.377 61.300 0.099 0.000 1.170 180 I CB -0.064 37.934 38.000 -0.004 0.000 1.206 180 I HN -0.201 nan 8.210 nan 0.000 0.432 181 M N 2.705 122.362 119.600 0.095 0.000 2.144 181 M HA -0.182 4.928 4.480 1.049 0.000 0.260 181 M C 1.989 178.389 176.300 0.167 0.000 1.067 181 M CA 2.114 57.503 55.300 0.147 0.000 1.095 181 M CB -1.172 31.518 32.600 0.150 0.000 1.365 181 M HN 0.586 nan 8.290 nan 0.000 0.406 182 D N -0.019 120.487 120.400 0.177 0.000 2.117 182 D HA -0.194 5.075 4.640 1.049 0.000 0.198 182 D C 1.919 178.386 176.300 0.278 0.000 0.982 182 D CA 1.242 55.377 54.000 0.226 0.000 0.828 182 D CB -0.704 40.235 40.800 0.231 0.000 0.967 182 D HN 0.381 nan 8.370 nan 0.000 0.464 183 R N 0.108 120.743 120.500 0.225 0.000 2.120 183 R HA 0.032 5.001 4.340 1.049 0.000 0.234 183 R C 2.655 178.875 176.300 -0.134 0.000 1.123 183 R CA 0.822 56.928 56.100 0.009 0.000 0.975 183 R CB -0.259 29.975 30.300 -0.110 0.000 0.866 183 R HN 0.308 nan 8.270 nan 0.000 0.446 184 L N -1.397 119.687 121.223 -0.231 0.000 2.209 184 L HA -0.059 4.911 4.340 1.049 0.000 0.207 184 L C 1.269 177.680 176.870 -0.765 0.000 1.094 184 L CA 1.135 55.620 54.840 -0.592 0.000 0.790 184 L CB -0.055 41.462 42.059 -0.905 0.000 0.932 184 L HN 0.173 nan 8.230 nan 0.000 0.447 185 Y N -2.449 117.875 120.300 0.040 0.000 2.494 185 Y HA 0.247 5.423 4.550 1.044 0.000 0.271 185 Y C 0.522 176.457 175.900 0.058 0.000 1.113 185 Y CA -0.778 57.345 58.100 0.037 0.000 1.240 185 Y CB 0.507 38.979 38.460 0.020 0.000 1.268 185 Y HN 0.045 nan 8.280 nan 0.000 0.510 186 N N 0.185 119.013 118.700 0.212 0.000 2.827 186 N HA 0.093 5.462 4.740 1.049 0.000 0.240 186 N C -2.024 173.596 175.510 0.184 0.000 1.352 186 N CA -0.287 52.863 53.050 0.166 0.000 0.760 186 N CB -0.083 38.478 38.487 0.124 0.000 1.426 186 N HN -0.004 nan 8.380 nan 0.000 0.561 187 F N 3.120 123.091 119.950 0.034 0.000 2.420 187 F HA 0.386 5.538 4.527 1.041 0.000 0.352 187 F C 1.302 177.121 175.800 0.032 0.000 1.108 187 F CA 0.068 58.088 58.000 0.034 0.000 1.162 187 F CB 1.033 40.050 39.000 0.028 0.000 1.118 187 F HN 0.527 nan 8.300 nan 0.000 0.510 188 S N 5.649 121.002 115.700 -0.579 0.000 3.549 188 S HA -0.300 4.800 4.470 1.049 0.000 0.366 188 S C 0.410 174.918 174.600 -0.154 0.000 1.012 188 S CA 0.938 58.892 58.200 -0.411 0.000 1.141 188 S CB -1.780 61.154 63.200 -0.444 0.000 0.910 188 S HN 1.005 nan 8.310 nan 0.000 0.471 189 N N -1.050 117.594 118.700 -0.094 0.000 2.708 189 N HA -0.208 5.161 4.740 1.049 0.000 0.249 189 N C 0.716 176.223 175.510 -0.005 0.000 1.097 189 N CA 1.568 54.596 53.050 -0.037 0.000 0.710 189 N CB -2.075 36.383 38.487 -0.048 0.000 1.032 189 N HN 0.998 nan 8.380 nan 0.000 0.551 190 T N -4.667 109.902 114.554 0.024 0.000 3.044 190 T HA 0.344 5.324 4.350 1.049 0.000 0.250 190 T C 1.509 176.243 174.700 0.056 0.000 1.081 190 T CA 1.108 63.236 62.100 0.047 0.000 1.040 190 T CB 0.606 69.523 68.868 0.082 0.000 0.962 190 T HN 0.610 nan 8.240 nan 0.000 0.506 191 G N 1.236 110.075 108.800 0.065 0.000 2.162 191 G HA2 -0.203 4.387 3.960 1.049 0.000 0.260 191 G HA3 -0.203 4.387 3.960 1.049 0.000 0.260 191 G C -0.121 174.831 174.900 0.086 0.000 0.976 191 G CA 0.531 45.673 45.100 0.069 0.000 0.655 191 G HN 0.645 nan 8.290 nan 0.000 0.533 192 L N 0.744 122.026 121.223 0.099 0.000 2.333 192 L HA 0.602 5.572 4.340 1.049 0.000 0.263 192 L C -1.935 174.998 176.870 0.106 0.000 1.014 192 L CA -2.684 52.210 54.840 0.090 0.000 0.820 192 L CB 2.404 44.507 42.059 0.074 0.000 1.352 192 L HN -0.128 nan 8.230 nan 0.000 0.421 193 P HA -0.005 nan 4.420 nan 0.000 0.274 193 P C -1.116 176.163 177.300 -0.035 0.000 1.256 193 P CA -0.310 62.781 63.100 -0.015 0.000 0.795 193 P CB 0.630 32.275 31.700 -0.092 0.000 1.038 194 D N 1.753 122.022 120.400 -0.219 0.000 2.412 194 D HA 0.006 5.276 4.640 1.049 0.000 0.257 194 D C -1.061 175.090 176.300 -0.248 0.000 1.217 194 D CA -1.871 51.817 54.000 -0.520 0.000 0.897 194 D CB 0.282 40.453 40.800 -1.048 0.000 1.132 194 D HN 0.189 nan 8.370 nan 0.000 0.493 195 P HA -0.118 nan 4.420 nan 0.000 0.228 195 P C 0.829 178.091 177.300 -0.063 0.000 1.151 195 P CA 0.919 63.983 63.100 -0.060 0.000 0.770 195 P CB -0.080 31.616 31.700 -0.006 0.000 0.786 196 T N -3.513 110.980 114.554 -0.102 0.000 3.169 196 T HA 0.171 5.151 4.350 1.049 0.000 0.250 196 T C 0.524 175.193 174.700 -0.051 0.000 1.111 196 T CA -0.389 61.680 62.100 -0.053 0.000 1.010 196 T CB -0.550 68.295 68.868 -0.037 0.000 0.984 196 T HN -0.095 nan 8.240 nan 0.000 0.537 197 L N 3.126 124.298 121.223 -0.086 0.000 2.272 197 L HA 0.438 5.408 4.340 1.049 0.000 0.289 197 L C -0.046 176.817 176.870 -0.011 0.000 1.032 197 L CA -1.001 53.809 54.840 -0.051 0.000 0.810 197 L CB 0.761 42.750 42.059 -0.117 0.000 1.205 197 L HN 0.166 nan 8.230 nan 0.000 0.422 198 N N 2.481 121.204 118.700 0.039 0.000 2.292 198 N HA -0.140 5.229 4.740 1.049 0.000 0.258 198 N C 0.948 176.483 175.510 0.042 0.000 1.261 198 N CA 0.965 54.039 53.050 0.040 0.000 0.845 198 N CB 1.053 39.568 38.487 0.047 0.000 1.064 198 N HN 0.884 nan 8.380 nan 0.000 0.471 199 T N -0.026 114.537 114.554 0.015 0.000 2.833 199 T HA -0.188 4.792 4.350 1.049 0.000 0.269 199 T C 1.858 176.569 174.700 0.018 0.000 1.054 199 T CA 1.924 64.026 62.100 0.004 0.000 1.135 199 T CB -0.614 68.253 68.868 -0.001 0.000 0.869 199 T HN 0.674 nan 8.240 nan 0.000 0.466 200 T N -1.286 113.291 114.554 0.038 0.000 2.857 200 T HA -0.074 4.905 4.350 1.049 0.000 0.266 200 T C 1.815 176.577 174.700 0.103 0.000 1.048 200 T CA 0.706 62.835 62.100 0.048 0.000 1.139 200 T CB -0.820 68.069 68.868 0.035 0.000 0.874 200 T HN 0.340 nan 8.240 nan 0.000 0.455 201 Y N 1.831 122.102 120.300 -0.048 0.000 2.314 201 Y HA 0.214 5.394 4.550 1.050 0.000 0.293 201 Y C 2.096 177.958 175.900 -0.064 0.000 1.129 201 Y CA -0.010 58.057 58.100 -0.055 0.000 1.201 201 Y CB -0.737 37.685 38.460 -0.063 0.000 0.999 201 Y HN 0.249 nan 8.280 nan 0.000 0.541 202 L N 0.396 121.594 121.223 -0.041 0.000 2.012 202 L HA -0.245 4.725 4.340 1.049 0.000 0.210 202 L C 2.087 178.871 176.870 -0.144 0.000 1.073 202 L CA 1.994 56.740 54.840 -0.156 0.000 0.748 202 L CB -0.930 41.065 42.059 -0.108 0.000 0.891 202 L HN 0.108 nan 8.230 nan 0.000 0.431 203 Q N -0.572 119.190 119.800 -0.063 0.000 2.084 203 Q HA -0.150 4.819 4.340 1.049 0.000 0.202 203 Q C 2.245 178.220 176.000 -0.042 0.000 0.978 203 Q CA 2.388 58.169 55.803 -0.037 0.000 0.844 203 Q CB -0.967 27.769 28.738 -0.004 0.000 0.898 203 Q HN 0.568 nan 8.270 nan 0.000 0.426 204 T N 0.831 115.365 114.554 -0.034 0.000 2.708 204 T HA -0.093 4.886 4.350 1.049 0.000 0.266 204 T C 1.802 176.440 174.700 -0.104 0.000 1.037 204 T CA 1.083 63.167 62.100 -0.026 0.000 1.146 204 T CB -0.297 68.610 68.868 0.066 0.000 0.865 204 T HN 0.172 nan 8.240 nan 0.000 0.435 205 L N 0.265 121.341 121.223 -0.245 0.000 2.083 205 L HA -0.054 4.916 4.340 1.049 0.000 0.209 205 L C 2.862 179.638 176.870 -0.157 0.000 1.083 205 L CA 1.271 55.943 54.840 -0.280 0.000 0.752 205 L CB -0.471 41.309 42.059 -0.466 0.000 0.899 205 L HN 0.157 nan 8.230 nan 0.000 0.433 206 R N -0.162 120.259 120.500 -0.132 0.000 2.115 206 R HA -0.092 4.877 4.340 1.049 0.000 0.230 206 R C 2.343 178.675 176.300 0.053 0.000 1.111 206 R CA 1.118 57.209 56.100 -0.015 0.000 0.976 206 R CB -0.501 29.798 30.300 -0.002 0.000 0.870 206 R HN 0.421 nan 8.270 nan 0.000 0.445 207 G N 0.525 109.328 108.800 0.006 0.000 2.421 207 G HA2 -0.166 4.424 3.960 1.049 0.000 0.217 207 G HA3 -0.166 4.424 3.960 1.049 0.000 0.217 207 G C 1.355 176.260 174.900 0.007 0.000 1.143 207 G CA 0.235 45.344 45.100 0.014 0.000 0.784 207 G HN 0.136 nan 8.290 nan 0.000 0.541 208 L N -0.370 120.846 121.223 -0.013 0.000 2.270 208 L HA 0.157 5.127 4.340 1.049 0.000 0.210 208 L C 0.534 177.400 176.870 -0.006 0.000 1.104 208 L CA 0.170 55.000 54.840 -0.016 0.000 0.804 208 L CB 0.234 42.269 42.059 -0.040 0.000 0.937 208 L HN 0.124 nan 8.230 nan 0.000 0.450 209 c N 1.020 119.627 118.600 0.012 0.000 3.169 209 c HA 0.340 5.540 4.570 1.049 0.000 0.232 209 c C -2.084 172.095 174.090 0.149 0.000 1.316 209 c CA -1.574 54.785 56.329 0.050 0.000 1.545 209 c CB -0.224 42.303 42.510 0.029 0.000 1.785 209 c HN 0.107 nan 8.230 nan 0.000 0.454 210 P HA 0.071 nan 4.420 nan 0.000 0.272 210 P C -0.086 177.177 177.300 -0.062 0.000 1.223 210 P CA 0.106 63.245 63.100 0.066 0.000 0.784 210 P CB 1.107 32.810 31.700 0.006 0.000 0.923 211 L N 3.125 124.128 121.223 -0.367 0.000 2.490 211 L HA -0.048 4.921 4.340 1.049 0.000 0.274 211 L C 1.057 177.795 176.870 -0.220 0.000 1.201 211 L CA 0.594 55.133 54.840 -0.502 0.000 0.869 211 L CB -0.511 41.101 42.059 -0.746 0.000 1.123 211 L HN 0.565 nan 8.230 nan 0.000 0.484 212 N N 1.503 120.114 118.700 -0.149 0.000 2.800 212 N HA -0.151 5.218 4.740 1.049 0.000 0.250 212 N C 0.197 175.670 175.510 -0.063 0.000 1.078 212 N CA 0.921 53.916 53.050 -0.090 0.000 0.804 212 N CB -1.301 37.131 38.487 -0.091 0.000 1.135 212 N HN 0.840 nan 8.380 nan 0.000 0.565 213 G N 0.335 109.103 108.800 -0.054 0.000 2.531 213 G HA2 0.295 4.884 3.960 1.049 0.000 0.281 213 G HA3 0.295 4.884 3.960 1.049 0.000 0.281 213 G C 0.217 175.101 174.900 -0.027 0.000 1.382 213 G CA -0.170 44.910 45.100 -0.033 0.000 1.045 213 G HN 0.237 nan 8.290 nan 0.000 0.533 214 N N 0.270 118.957 118.700 -0.021 0.000 2.406 214 N HA 0.066 5.436 4.740 1.049 0.000 0.265 214 N C 1.499 176.990 175.510 -0.031 0.000 1.203 214 N CA -0.074 52.963 53.050 -0.023 0.000 0.945 214 N CB 0.306 38.783 38.487 -0.017 0.000 1.165 214 N HN 0.336 nan 8.380 nan 0.000 0.485 215 L N 1.644 122.842 121.223 -0.042 0.000 2.362 215 L HA -0.065 4.905 4.340 1.049 0.000 0.219 215 L C 1.416 178.232 176.870 -0.090 0.000 1.134 215 L CA 0.644 55.443 54.840 -0.069 0.000 0.807 215 L CB -0.166 41.843 42.059 -0.083 0.000 0.927 215 L HN 0.463 nan 8.230 nan 0.000 0.447 216 S N -0.225 115.440 115.700 -0.060 0.000 2.593 216 S HA 0.228 5.327 4.470 1.049 0.000 0.217 216 S C 1.056 175.639 174.600 -0.028 0.000 0.966 216 S CA -0.068 58.104 58.200 -0.047 0.000 0.914 216 S CB -0.018 63.168 63.200 -0.023 0.000 0.776 216 S HN 0.360 nan 8.310 nan 0.000 0.523 217 A N 1.742 124.545 122.820 -0.028 0.000 2.531 217 A HA 0.401 5.351 4.320 1.049 0.000 0.236 217 A C -0.002 177.569 177.584 -0.020 0.000 1.062 217 A CA 0.104 52.130 52.037 -0.019 0.000 0.760 217 A CB -0.031 18.958 19.000 -0.018 0.000 0.995 217 A HN 0.464 nan 8.150 nan 0.000 0.501 218 L N 2.687 123.903 121.223 -0.012 0.000 2.309 218 L HA 0.622 5.592 4.340 1.049 0.000 0.282 218 L C -0.031 176.823 176.870 -0.028 0.000 1.036 218 L CA -0.806 54.026 54.840 -0.014 0.000 0.806 218 L CB 1.443 43.504 42.059 0.004 0.000 1.220 218 L HN 0.643 nan 8.230 nan 0.000 0.429 219 V N -1.933 117.946 119.914 -0.059 0.000 2.914 219 V HA 0.527 5.276 4.120 1.049 0.000 0.314 219 V C -0.731 175.312 176.094 -0.085 0.000 1.084 219 V CA -1.026 61.234 62.300 -0.067 0.000 0.963 219 V CB 2.178 33.941 31.823 -0.100 0.000 1.025 219 V HN 0.539 nan 8.190 nan 0.000 0.432 220 D N 1.693 122.080 120.400 -0.021 0.000 2.350 220 D HA 0.269 5.539 4.640 1.049 0.000 0.249 220 D C 0.450 176.766 176.300 0.027 0.000 1.119 220 D CA 0.183 54.204 54.000 0.035 0.000 0.886 220 D CB 1.449 42.299 40.800 0.083 0.000 1.195 220 D HN 0.594 nan 8.370 nan 0.000 0.437 221 F N 0.536 120.524 119.950 0.063 0.000 2.186 221 F HA -0.136 5.012 4.527 1.035 0.000 0.299 221 F C 1.330 177.199 175.800 0.115 0.000 1.090 221 F CA 0.933 58.975 58.000 0.071 0.000 1.307 221 F CB 0.261 39.286 39.000 0.042 0.000 1.019 221 F HN 0.197 nan 8.300 nan 0.000 0.489 222 D N 0.134 120.704 120.400 0.285 0.000 2.453 222 D HA 0.140 5.409 4.640 1.049 0.000 0.238 222 D C 0.933 177.285 176.300 0.087 0.000 1.088 222 D CA -0.239 53.859 54.000 0.163 0.000 0.854 222 D CB 0.872 41.757 40.800 0.140 0.000 1.076 222 D HN 0.239 nan 8.370 nan 0.000 0.533 223 L N 1.943 123.180 121.223 0.022 0.000 2.362 223 L HA 0.123 5.092 4.340 1.049 0.000 0.219 223 L C 1.679 178.530 176.870 -0.032 0.000 1.134 223 L CA 0.416 55.251 54.840 -0.008 0.000 0.807 223 L CB 0.107 42.096 42.059 -0.118 0.000 0.927 223 L HN 0.133 nan 8.230 nan 0.000 0.447 224 R N 0.887 121.360 120.500 -0.046 0.000 2.052 224 R HA 0.055 5.024 4.340 1.049 0.000 0.224 224 R C 0.458 176.756 176.300 -0.003 0.000 1.149 224 R CA 1.505 57.580 56.100 -0.041 0.000 0.962 224 R CB -0.130 30.132 30.300 -0.064 0.000 0.856 224 R HN 0.541 nan 8.270 nan 0.000 0.433 225 T N -1.765 112.798 114.554 0.015 0.000 3.226 225 T HA 0.309 5.289 4.350 1.049 0.000 0.378 225 T C -2.491 172.257 174.700 0.080 0.000 1.380 225 T CA -1.879 60.245 62.100 0.041 0.000 1.396 225 T CB 1.684 70.572 68.868 0.033 0.000 1.044 225 T HN -0.162 nan 8.240 nan 0.000 0.586 226 P HA -0.151 nan 4.420 nan 0.000 0.217 226 P C 1.461 178.876 177.300 0.191 0.000 1.148 226 P CA 1.548 64.728 63.100 0.133 0.000 0.834 226 P CB 0.086 31.845 31.700 0.099 0.000 0.783 227 T N -6.108 108.556 114.554 0.183 0.000 3.043 227 T HA 0.291 5.271 4.350 1.049 0.000 0.272 227 T C 0.427 175.302 174.700 0.291 0.000 0.990 227 T CA -0.224 62.028 62.100 0.254 0.000 0.897 227 T CB -0.378 68.590 68.868 0.167 0.000 1.111 227 T HN -0.094 nan 8.240 nan 0.000 0.529 228 I N 1.941 122.622 120.570 0.185 0.000 2.359 228 I HA 0.427 5.226 4.170 1.049 0.000 0.294 228 I C -0.676 175.452 176.117 0.018 0.000 0.987 228 I CA -1.258 60.118 61.300 0.127 0.000 1.225 228 I CB 1.341 39.398 38.000 0.095 0.000 1.366 228 I HN 0.103 nan 8.210 nan 0.000 0.466 229 F N 7.695 127.533 119.950 -0.188 0.000 2.439 229 F HA 0.224 5.380 4.527 1.048 0.000 0.356 229 F C -0.098 175.690 175.800 -0.020 0.000 1.161 229 F CA -0.195 57.576 58.000 -0.381 0.000 1.151 229 F CB -0.247 38.380 39.000 -0.622 0.000 1.222 229 F HN 0.550 nan 8.300 nan 0.000 0.558 230 D N 2.539 122.881 120.400 -0.097 0.000 2.752 230 D HA 0.143 5.413 4.640 1.049 0.000 0.313 230 D C -0.153 176.199 176.300 0.087 0.000 1.225 230 D CA -0.754 53.367 54.000 0.201 0.000 0.976 230 D CB 0.161 41.026 40.800 0.109 0.000 1.443 230 D HN 0.241 nan 8.370 nan 0.000 0.515 231 N N -0.313 118.454 118.700 0.111 0.000 2.383 231 N HA -0.065 5.305 4.740 1.049 0.000 0.192 231 N C 0.538 176.024 175.510 -0.039 0.000 1.141 231 N CA -0.041 52.994 53.050 -0.025 0.000 0.851 231 N CB 0.021 38.542 38.487 0.057 0.000 0.976 231 N HN 0.191 nan 8.380 nan 0.000 0.465 232 K N 0.482 120.841 120.400 -0.069 0.000 2.211 232 K HA -0.172 4.778 4.320 1.049 0.000 0.204 232 K C 1.362 177.879 176.600 -0.137 0.000 1.047 232 K CA 0.618 56.855 56.287 -0.083 0.000 0.935 232 K CB -0.796 31.665 32.500 -0.065 0.000 0.728 232 K HN 0.392 nan 8.250 nan 0.000 0.452 233 Y N 0.911 120.997 120.300 -0.358 0.000 2.151 233 Y HA -0.333 4.844 4.550 1.045 0.000 0.284 233 Y C 1.818 177.407 175.900 -0.519 0.000 1.166 233 Y CA 1.709 59.520 58.100 -0.481 0.000 1.163 233 Y CB -0.468 37.545 38.460 -0.745 0.000 0.974 233 Y HN 0.029 nan 8.280 nan 0.000 0.511 234 Y N -1.364 118.770 120.300 -0.277 0.000 2.314 234 Y HA -0.120 5.061 4.550 1.051 0.000 0.293 234 Y C 2.526 178.220 175.900 -0.344 0.000 1.129 234 Y CA 1.247 59.148 58.100 -0.332 0.000 1.201 234 Y CB -0.851 37.507 38.460 -0.171 0.000 0.999 234 Y HN -0.033 nan 8.280 nan 0.000 0.541 235 V N 0.557 120.384 119.914 -0.146 0.000 2.407 235 V HA -0.289 4.460 4.120 1.049 0.000 0.248 235 V C 1.861 177.792 176.094 -0.272 0.000 1.055 235 V CA 1.869 64.059 62.300 -0.183 0.000 1.049 235 V CB -0.565 31.179 31.823 -0.132 0.000 0.662 235 V HN 0.462 nan 8.190 nan 0.000 0.455 236 N N 0.591 119.106 118.700 -0.307 0.000 2.069 236 N HA -0.127 5.243 4.740 1.049 0.000 0.191 236 N C 1.827 177.107 175.510 -0.383 0.000 1.031 236 N CA 1.436 54.284 53.050 -0.337 0.000 0.852 236 N CB -0.552 37.734 38.487 -0.335 0.000 1.018 236 N HN 0.388 nan 8.380 nan 0.000 0.423 237 L N 1.336 122.270 121.223 -0.481 0.000 2.042 237 L HA -0.156 4.813 4.340 1.049 0.000 0.210 237 L C 2.020 178.448 176.870 -0.736 0.000 1.076 237 L CA 1.311 55.857 54.840 -0.491 0.000 0.749 237 L CB -0.560 41.218 42.059 -0.468 0.000 0.893 237 L HN 0.235 nan 8.230 nan 0.000 0.432 238 E N 0.212 119.891 120.200 -0.868 0.000 2.204 238 E HA -0.198 4.781 4.350 1.049 0.000 0.195 238 E C 1.265 177.543 176.600 -0.536 0.000 0.990 238 E CA 0.937 56.676 56.400 -1.102 0.000 0.821 238 E CB -0.001 29.332 29.700 -0.611 0.000 0.750 238 E HN 0.594 nan 8.360 nan 0.000 0.477 239 E N 0.368 120.354 120.200 -0.358 0.000 2.465 239 E HA 0.008 4.987 4.350 1.049 0.000 0.195 239 E C -0.329 176.184 176.600 -0.145 0.000 1.028 239 E CA -0.108 56.171 56.400 -0.201 0.000 0.899 239 E CB 0.563 30.149 29.700 -0.191 0.000 1.032 239 E HN 0.052 nan 8.360 nan 0.000 0.468 240 Q N -0.227 119.485 119.800 -0.147 0.000 2.494 240 Q HA -0.210 4.759 4.340 1.049 0.000 0.272 240 Q C -0.050 175.924 176.000 -0.043 0.000 1.145 240 Q CA 0.970 56.743 55.803 -0.050 0.000 0.943 240 Q CB -2.121 26.619 28.738 0.004 0.000 1.338 240 Q HN 0.362 nan 8.270 nan 0.000 0.492 241 K N -0.341 119.983 120.400 -0.127 0.000 2.514 241 K HA 0.289 5.238 4.320 1.049 0.000 0.207 241 K C 0.868 177.439 176.600 -0.048 0.000 1.035 241 K CA 0.367 56.573 56.287 -0.135 0.000 1.113 241 K CB 0.880 33.107 32.500 -0.455 0.000 0.846 241 K HN 0.265 nan 8.250 nan 0.000 0.491 242 G N 0.968 109.742 108.800 -0.043 0.000 2.441 242 G HA2 0.046 4.635 3.960 1.049 0.000 0.243 242 G HA3 0.046 4.635 3.960 1.049 0.000 0.243 242 G C 0.681 175.665 174.900 0.141 0.000 1.281 242 G CA -0.431 44.660 45.100 -0.015 0.000 0.854 242 G HN 0.126 nan 8.290 nan 0.000 0.560 243 L N 3.107 124.447 121.223 0.196 0.000 2.007 243 L HA 0.217 5.187 4.340 1.049 0.000 0.205 243 L C 1.565 178.468 176.870 0.056 0.000 1.073 243 L CA 1.283 56.194 54.840 0.118 0.000 0.744 243 L CB -0.474 41.582 42.059 -0.005 0.000 0.898 243 L HN 0.652 nan 8.230 nan 0.000 0.435 244 I N -3.263 117.390 120.570 0.138 0.000 2.783 244 I HA 0.214 5.014 4.170 1.049 0.000 0.312 244 I C 1.284 177.499 176.117 0.164 0.000 0.988 244 I CA -0.578 60.809 61.300 0.146 0.000 1.182 244 I CB 0.966 39.080 38.000 0.191 0.000 1.368 244 I HN 0.302 nan 8.210 nan 0.000 0.511 245 Q N 2.400 122.306 119.800 0.177 0.000 2.077 245 Q HA -0.232 4.737 4.340 1.049 0.000 0.206 245 Q C 1.977 178.096 176.000 0.198 0.000 0.989 245 Q CA 3.292 59.212 55.803 0.193 0.000 0.853 245 Q CB -0.080 28.855 28.738 0.328 0.000 0.907 245 Q HN 0.961 nan 8.270 nan 0.000 0.418 246 S N 0.019 115.845 115.700 0.210 0.000 2.442 246 S HA -0.164 4.936 4.470 1.049 0.000 0.236 246 S C 1.232 175.955 174.600 0.206 0.000 1.007 246 S CA 1.252 59.570 58.200 0.197 0.000 0.965 246 S CB -0.200 63.099 63.200 0.166 0.000 0.773 246 S HN 0.410 nan 8.310 nan 0.000 0.504 247 D N 1.417 121.966 120.400 0.248 0.000 2.106 247 D HA -0.038 5.231 4.640 1.049 0.000 0.203 247 D C 2.139 178.520 176.300 0.135 0.000 0.977 247 D CA 1.225 55.387 54.000 0.269 0.000 0.844 247 D CB -0.599 40.401 40.800 0.332 0.000 1.002 247 D HN 0.365 nan 8.370 nan 0.000 0.461 248 Q N 0.918 120.782 119.800 0.106 0.000 2.226 248 Q HA -0.120 4.849 4.340 1.049 0.000 0.204 248 Q C 1.681 177.754 176.000 0.121 0.000 0.975 248 Q CA 1.056 56.908 55.803 0.080 0.000 0.866 248 Q CB -0.071 28.699 28.738 0.053 0.000 0.915 248 Q HN 0.204 nan 8.270 nan 0.000 0.440 249 E N -0.168 120.108 120.200 0.126 0.000 2.204 249 E HA -0.151 4.828 4.350 1.049 0.000 0.195 249 E C 1.827 178.492 176.600 0.109 0.000 0.990 249 E CA 0.790 57.263 56.400 0.120 0.000 0.821 249 E CB -0.109 29.674 29.700 0.138 0.000 0.750 249 E HN 0.462 nan 8.360 nan 0.000 0.477 250 L N -0.663 120.638 121.223 0.130 0.000 2.191 250 L HA -0.135 4.835 4.340 1.049 0.000 0.212 250 L C 2.202 179.168 176.870 0.160 0.000 1.103 250 L CA 0.918 55.836 54.840 0.130 0.000 0.769 250 L CB -0.246 41.913 42.059 0.167 0.000 0.908 250 L HN 0.062 nan 8.230 nan 0.000 0.438 251 F N -1.100 118.850 119.950 -0.000 0.000 2.602 251 F HA 0.082 5.237 4.527 1.046 0.000 0.284 251 F C 2.177 177.968 175.800 -0.015 0.000 1.111 251 F CA 0.435 58.424 58.000 -0.018 0.000 1.405 251 F CB 0.380 39.357 39.000 -0.038 0.000 1.121 251 F HN -0.178 nan 8.300 nan 0.000 0.603 252 S N -0.992 114.742 115.700 0.057 0.000 2.512 252 S HA 0.101 5.200 4.470 1.049 0.000 0.216 252 S C 0.736 175.322 174.600 -0.023 0.000 1.006 252 S CA 0.077 58.264 58.200 -0.021 0.000 0.915 252 S CB -0.100 63.143 63.200 0.070 0.000 0.824 252 S HN 0.218 nan 8.310 nan 0.000 0.497 253 S N 2.502 118.205 115.700 0.005 0.000 2.568 253 S HA 0.143 5.242 4.470 1.049 0.000 0.282 253 S C -1.886 172.706 174.600 -0.014 0.000 1.338 253 S CA -1.123 57.088 58.200 0.019 0.000 1.045 253 S CB 0.709 63.934 63.200 0.041 0.000 0.873 253 S HN -0.008 nan 8.310 nan 0.000 0.516 254 P HA -0.013 nan 4.420 nan 0.000 0.225 254 P C 0.680 177.969 177.300 -0.017 0.000 1.148 254 P CA 0.740 63.832 63.100 -0.013 0.000 0.779 254 P CB -0.006 31.696 31.700 0.003 0.000 0.780 255 N N -0.482 118.214 118.700 -0.006 0.000 2.268 255 N HA 0.090 5.460 4.740 1.049 0.000 0.204 255 N C 0.671 176.171 175.510 -0.016 0.000 1.124 255 N CA -0.066 52.980 53.050 -0.007 0.000 0.838 255 N CB 0.151 38.643 38.487 0.009 0.000 0.994 255 N HN -0.064 nan 8.380 nan 0.000 0.489 256 A N -0.199 122.601 122.820 -0.034 0.000 2.327 256 A HA 0.118 5.068 4.320 1.049 0.000 0.228 256 A C 1.656 179.197 177.584 -0.072 0.000 1.275 256 A CA 0.033 52.041 52.037 -0.049 0.000 0.875 256 A CB -0.347 18.613 19.000 -0.068 0.000 0.925 256 A HN 0.195 nan 8.150 nan 0.000 0.493 257 T N 1.368 115.885 114.554 -0.062 0.000 2.759 257 T HA -0.171 4.808 4.350 1.049 0.000 0.269 257 T C 1.678 176.343 174.700 -0.059 0.000 1.042 257 T CA 1.875 63.936 62.100 -0.065 0.000 1.140 257 T CB -0.264 68.575 68.868 -0.048 0.000 0.864 257 T HN 0.876 nan 8.240 nan 0.000 0.455 258 D N 0.921 121.294 120.400 -0.045 0.000 2.271 258 D HA -0.054 5.216 4.640 1.049 0.000 0.206 258 D C 2.077 178.347 176.300 -0.050 0.000 0.967 258 D CA 1.360 55.335 54.000 -0.041 0.000 0.867 258 D CB -0.804 39.980 40.800 -0.025 0.000 0.960 258 D HN 0.533 nan 8.370 nan 0.000 0.509 259 T N -1.209 113.319 114.554 -0.043 0.000 3.035 259 T HA 0.144 5.123 4.350 1.049 0.000 0.259 259 T C 2.355 177.032 174.700 -0.039 0.000 1.078 259 T CA -0.007 62.071 62.100 -0.036 0.000 1.132 259 T CB -0.477 68.392 68.868 0.002 0.000 0.900 259 T HN 0.081 nan 8.240 nan 0.000 0.480 260 I N 2.216 122.754 120.570 -0.053 0.000 2.163 260 I HA -0.083 4.716 4.170 1.049 0.000 0.243 260 I C -0.598 175.502 176.117 -0.029 0.000 1.085 260 I CA 1.334 62.608 61.300 -0.044 0.000 1.347 260 I CB -1.025 36.859 38.000 -0.194 0.000 1.044 260 I HN 0.212 nan 8.210 nan 0.000 0.408 261 P HA -0.145 nan 4.420 nan 0.000 0.218 261 P C 1.857 179.035 177.300 -0.204 0.000 1.148 261 P CA 1.374 64.412 63.100 -0.104 0.000 0.822 261 P CB 0.050 31.694 31.700 -0.094 0.000 0.784 262 L N -1.508 119.546 121.223 -0.282 0.000 2.072 262 L HA -0.122 4.847 4.340 1.049 0.000 0.205 262 L C 2.360 178.748 176.870 -0.804 0.000 1.079 262 L CA 1.163 55.628 54.840 -0.625 0.000 0.752 262 L CB -1.098 40.656 42.059 -0.509 0.000 0.906 262 L HN -0.152 nan 8.230 nan 0.000 0.436 263 V N 0.008 119.723 119.914 -0.331 0.000 2.287 263 V HA -0.313 4.437 4.120 1.049 0.000 0.248 263 V C 2.651 178.650 176.094 -0.157 0.000 1.053 263 V CA 1.849 64.071 62.300 -0.131 0.000 1.027 263 V CB -0.619 31.311 31.823 0.179 0.000 0.646 263 V HN 0.408 nan 8.190 nan 0.000 0.447 264 R N 0.630 121.078 120.500 -0.086 0.000 2.081 264 R HA -0.149 4.820 4.340 1.049 0.000 0.235 264 R C 2.633 178.868 176.300 -0.108 0.000 1.131 264 R CA 1.760 57.828 56.100 -0.055 0.000 0.960 264 R CB -0.599 29.704 30.300 0.005 0.000 0.856 264 R HN 0.709 nan 8.270 nan 0.000 0.436 265 S N 0.339 115.919 115.700 -0.199 0.000 2.382 265 S HA -0.109 4.991 4.470 1.049 0.000 0.228 265 S C 1.730 176.340 174.600 0.018 0.000 1.027 265 S CA 0.956 59.079 58.200 -0.128 0.000 0.991 265 S CB -0.315 62.772 63.200 -0.188 0.000 0.823 265 S HN 0.144 nan 8.310 nan 0.000 0.469 266 F N 2.211 122.013 119.950 -0.247 0.000 2.367 266 F HA 0.457 5.612 4.527 1.047 0.000 0.298 266 F C 2.734 178.363 175.800 -0.286 0.000 1.094 266 F CA -0.520 57.252 58.000 -0.380 0.000 1.409 266 F CB -1.341 37.018 39.000 -1.067 0.000 1.064 266 F HN 0.355 nan 8.300 nan 0.000 0.528 267 A N 0.238 123.043 122.820 -0.026 0.000 1.970 267 A HA -0.099 4.850 4.320 1.049 0.000 0.216 267 A C 2.047 179.628 177.584 -0.005 0.000 1.170 267 A CA 1.274 53.319 52.037 0.015 0.000 0.645 267 A CB -0.544 18.448 19.000 -0.013 0.000 0.816 267 A HN 0.252 nan 8.150 nan 0.000 0.447 268 N N -0.303 118.393 118.700 -0.007 0.000 2.354 268 N HA -0.004 5.366 4.740 1.049 0.000 0.179 268 N C 0.267 175.776 175.510 -0.002 0.000 1.021 268 N CA 1.067 54.112 53.050 -0.008 0.000 0.887 268 N CB 0.050 38.531 38.487 -0.010 0.000 0.974 268 N HN 0.333 nan 8.380 nan 0.000 0.437 269 S N -0.950 114.763 115.700 0.021 0.000 2.677 269 S HA 0.307 5.406 4.470 1.049 0.000 0.283 269 S C 0.696 175.292 174.600 -0.006 0.000 1.159 269 S CA -0.592 57.611 58.200 0.005 0.000 1.001 269 S CB 1.123 64.335 63.200 0.022 0.000 1.032 269 S HN 0.011 nan 8.310 nan 0.000 0.487 270 T N 3.810 118.302 114.554 -0.104 0.000 2.746 270 T HA -0.146 4.834 4.350 1.049 0.000 0.267 270 T C 1.805 176.299 174.700 -0.344 0.000 1.039 270 T CA 1.783 63.711 62.100 -0.286 0.000 1.142 270 T CB -0.308 68.291 68.868 -0.448 0.000 0.866 270 T HN 0.771 nan 8.240 nan 0.000 0.444 271 Q N 0.269 119.951 119.800 -0.196 0.000 2.096 271 Q HA -0.159 4.810 4.340 1.049 0.000 0.204 271 Q C 2.234 178.223 176.000 -0.017 0.000 0.982 271 Q CA 1.773 57.520 55.803 -0.094 0.000 0.850 271 Q CB -0.252 28.461 28.738 -0.042 0.000 0.901 271 Q HN 0.442 nan 8.270 nan 0.000 0.422 272 T N 0.782 115.352 114.554 0.026 0.000 2.708 272 T HA -0.157 4.823 4.350 1.049 0.000 0.266 272 T C 1.277 176.006 174.700 0.049 0.000 1.037 272 T CA 1.330 63.489 62.100 0.100 0.000 1.146 272 T CB -0.448 68.534 68.868 0.191 0.000 0.865 272 T HN 0.371 nan 8.240 nan 0.000 0.435 273 F N 1.701 121.545 119.950 -0.178 0.000 2.084 273 F HA -0.006 5.150 4.527 1.048 0.000 0.296 273 F C 1.777 177.516 175.800 -0.102 0.000 1.111 273 F CA 0.693 58.403 58.000 -0.483 0.000 1.224 273 F CB -0.825 38.016 39.000 -0.265 0.000 0.991 273 F HN 0.048 nan 8.300 nan 0.000 0.471 274 F N 1.434 121.088 119.950 -0.492 0.000 2.126 274 F HA -0.236 4.920 4.527 1.048 0.000 0.299 274 F C 2.387 177.959 175.800 -0.380 0.000 1.096 274 F CA 1.420 59.115 58.000 -0.509 0.000 1.255 274 F CB -1.691 37.160 39.000 -0.247 0.000 0.997 274 F HN 0.089 nan 8.300 nan 0.000 0.479 275 N N 0.217 118.880 118.700 -0.062 0.000 2.120 275 N HA -0.129 5.240 4.740 1.049 0.000 0.188 275 N C 2.059 177.468 175.510 -0.169 0.000 1.024 275 N CA 1.506 54.491 53.050 -0.109 0.000 0.852 275 N CB -0.743 37.719 38.487 -0.041 0.000 1.003 275 N HN 0.239 nan 8.380 nan 0.000 0.424 276 A N 0.170 122.884 122.820 -0.177 0.000 1.930 276 A HA -0.086 4.863 4.320 1.049 0.000 0.217 276 A C 2.099 179.565 177.584 -0.197 0.000 1.175 276 A CA 0.759 52.703 52.037 -0.155 0.000 0.627 276 A CB -0.826 18.040 19.000 -0.223 0.000 0.815 276 A HN 0.269 nan 8.150 nan 0.000 0.443 277 F N 0.617 120.288 119.950 -0.466 0.000 2.146 277 F HA -0.134 5.021 4.527 1.046 0.000 0.298 277 F C 2.258 177.759 175.800 -0.498 0.000 1.096 277 F CA 1.850 59.584 58.000 -0.444 0.000 1.275 277 F CB -0.237 38.356 39.000 -0.677 0.000 1.008 277 F HN 0.031 nan 8.300 nan 0.000 0.480 278 V N 0.292 119.823 119.914 -0.639 0.000 2.295 278 V HA -0.308 4.441 4.120 1.049 0.000 0.246 278 V C 2.366 178.066 176.094 -0.655 0.000 1.049 278 V CA 2.257 63.925 62.300 -1.053 0.000 1.024 278 V CB -0.768 30.413 31.823 -1.070 0.000 0.648 278 V HN 0.406 nan 8.190 nan 0.000 0.447 279 E N 0.246 120.208 120.200 -0.396 0.000 2.058 279 E HA -0.237 4.742 4.350 1.049 0.000 0.194 279 E C 2.217 178.707 176.600 -0.185 0.000 0.997 279 E CA 1.506 57.771 56.400 -0.226 0.000 0.801 279 E CB -0.257 29.366 29.700 -0.129 0.000 0.746 279 E HN 0.563 nan 8.360 nan 0.000 0.450 280 A N 0.661 123.358 122.820 -0.205 0.000 1.930 280 A HA -0.139 4.811 4.320 1.049 0.000 0.217 280 A C 2.166 179.639 177.584 -0.185 0.000 1.175 280 A CA 1.226 53.182 52.037 -0.135 0.000 0.627 280 A CB -0.335 18.618 19.000 -0.078 0.000 0.815 280 A HN 0.276 nan 8.150 nan 0.000 0.443 281 M N -0.022 119.350 119.600 -0.381 0.000 2.117 281 M HA -0.133 4.976 4.480 1.049 0.000 0.262 281 M C 1.318 177.605 176.300 -0.021 0.000 1.065 281 M CA 1.503 56.645 55.300 -0.263 0.000 1.114 281 M CB -1.282 31.084 32.600 -0.391 0.000 1.361 281 M HN 0.333 nan 8.290 nan 0.000 0.408 282 D N -0.409 119.965 120.400 -0.043 0.000 2.178 282 D HA -0.086 5.184 4.640 1.049 0.000 0.202 282 D C 2.168 178.483 176.300 0.025 0.000 0.974 282 D CA 0.930 54.962 54.000 0.052 0.000 0.841 282 D CB -0.164 40.655 40.800 0.031 0.000 0.953 282 D HN 0.324 nan 8.370 nan 0.000 0.478 283 R N -0.083 120.410 120.500 -0.012 0.000 2.075 283 R HA 0.012 4.981 4.340 1.049 0.000 0.232 283 R C 2.336 178.637 176.300 0.001 0.000 1.126 283 R CA 0.818 56.915 56.100 -0.004 0.000 0.963 283 R CB -0.228 30.070 30.300 -0.003 0.000 0.858 283 R HN 0.188 nan 8.270 nan 0.000 0.435 284 M N -0.069 119.539 119.600 0.013 0.000 2.159 284 M HA -0.060 5.050 4.480 1.049 0.000 0.263 284 M C 1.820 178.126 176.300 0.011 0.000 1.063 284 M CA 2.011 57.322 55.300 0.019 0.000 1.110 284 M CB -0.125 32.514 32.600 0.065 0.000 1.374 284 M HN 0.246 nan 8.290 nan 0.000 0.411 285 G N -0.239 108.606 108.800 0.075 0.000 2.625 285 G HA2 -0.207 4.382 3.960 1.049 0.000 0.214 285 G HA3 -0.207 4.382 3.960 1.049 0.000 0.214 285 G C 0.920 175.855 174.900 0.059 0.000 1.132 285 G CA 0.657 45.835 45.100 0.130 0.000 0.782 285 G HN 0.506 nan 8.290 nan 0.000 0.538 286 N N -0.178 118.533 118.700 0.019 0.000 2.230 286 N HA 0.181 5.550 4.740 1.049 0.000 0.202 286 N C 0.255 175.744 175.510 -0.036 0.000 1.119 286 N CA -0.356 52.689 53.050 -0.007 0.000 0.851 286 N CB -0.017 38.466 38.487 -0.007 0.000 0.990 286 N HN 0.150 nan 8.380 nan 0.000 0.497 287 I N 1.733 122.271 120.570 -0.053 0.000 2.505 287 I HA -0.025 4.775 4.170 1.049 0.000 0.287 287 I C 0.416 176.480 176.117 -0.089 0.000 1.104 287 I CA -0.188 61.056 61.300 -0.093 0.000 1.387 287 I CB 0.207 38.120 38.000 -0.145 0.000 1.404 287 I HN 0.263 nan 8.210 nan 0.000 0.528 288 T N 4.525 119.025 114.554 -0.090 0.000 3.213 288 T HA -0.125 4.854 4.350 1.049 0.000 0.427 288 T C -1.978 172.679 174.700 -0.071 0.000 0.772 288 T CA -0.695 61.353 62.100 -0.085 0.000 2.150 288 T CB -1.824 66.977 68.868 -0.113 0.000 1.655 288 T HN 0.473 nan 8.240 nan 0.000 0.584 289 P HA 0.505 nan 4.420 nan 0.000 0.281 289 P C 0.212 177.485 177.300 -0.045 0.000 1.249 289 P CA -0.932 62.139 63.100 -0.047 0.000 0.810 289 P CB 1.024 32.694 31.700 -0.050 0.000 1.008 290 L N 2.114 123.316 121.223 -0.036 0.000 2.292 290 L HA 0.420 5.389 4.340 1.049 0.000 0.284 290 L C 1.186 178.030 176.870 -0.043 0.000 1.065 290 L CA -0.025 54.799 54.840 -0.027 0.000 0.806 290 L CB 1.189 43.244 42.059 -0.007 0.000 1.175 290 L HN 0.564 nan 8.230 nan 0.000 0.431 291 T N -0.977 113.553 114.554 -0.039 0.000 2.831 291 T HA 0.777 5.757 4.350 1.049 0.000 0.287 291 T C 0.543 175.234 174.700 -0.016 0.000 1.070 291 T CA -0.026 62.041 62.100 -0.055 0.000 1.010 291 T CB 1.870 70.698 68.868 -0.067 0.000 1.264 291 T HN 0.841 nan 8.240 nan 0.000 0.532 292 G N 1.280 110.082 108.800 0.002 0.000 2.620 292 G HA2 -0.358 4.232 3.960 1.049 0.000 0.315 292 G HA3 -0.358 4.232 3.960 1.049 0.000 0.315 292 G C 0.986 175.915 174.900 0.048 0.000 1.179 292 G CA 1.912 47.036 45.100 0.040 0.000 0.971 292 G HN 2.074 nan 8.290 nan 0.000 0.544 293 T N -0.879 113.695 114.554 0.034 0.000 3.044 293 T HA 0.474 5.454 4.350 1.049 0.000 0.260 293 T C 0.809 175.525 174.700 0.027 0.000 1.019 293 T CA 0.977 63.098 62.100 0.035 0.000 0.921 293 T CB 0.285 69.171 68.868 0.030 0.000 1.053 293 T HN 0.755 nan 8.240 nan 0.000 0.533 294 Q N 1.519 121.330 119.800 0.019 0.000 2.352 294 Q HA 0.503 5.472 4.340 1.049 0.000 0.260 294 Q C 1.106 177.117 176.000 0.018 0.000 0.976 294 Q CA 0.290 56.102 55.803 0.015 0.000 0.881 294 Q CB 0.732 29.473 28.738 0.006 0.000 1.235 294 Q HN 0.567 nan 8.270 nan 0.000 0.419 295 G N 1.441 110.254 108.800 0.022 0.000 2.645 295 G HA2 -0.283 4.306 3.960 1.049 0.000 0.246 295 G HA3 -0.283 4.306 3.960 1.049 0.000 0.246 295 G C -0.583 174.336 174.900 0.031 0.000 1.322 295 G CA 0.188 45.303 45.100 0.026 0.000 0.898 295 G HN 0.832 nan 8.290 nan 0.000 0.573 296 Q N -2.136 117.685 119.800 0.035 0.000 2.831 296 Q HA 0.729 5.699 4.340 1.049 0.000 0.322 296 Q C -0.871 175.160 176.000 0.052 0.000 0.923 296 Q CA -1.181 54.648 55.803 0.043 0.000 0.767 296 Q CB 1.523 30.283 28.738 0.037 0.000 1.469 296 Q HN 0.806 nan 8.270 nan 0.000 0.496 297 I N 1.773 122.378 120.570 0.058 0.000 2.361 297 I HA 0.349 5.148 4.170 1.049 0.000 0.282 297 I C 0.031 176.176 176.117 0.047 0.000 1.075 297 I CA -0.543 60.796 61.300 0.065 0.000 1.205 297 I CB 0.822 38.872 38.000 0.084 0.000 1.406 297 I HN 0.476 nan 8.210 nan 0.000 0.481 298 R N 4.333 124.858 120.500 0.042 0.000 2.522 298 R HA 0.073 5.043 4.340 1.049 0.000 0.284 298 R C 0.738 177.054 176.300 0.027 0.000 1.032 298 R CA -0.239 55.882 56.100 0.034 0.000 1.049 298 R CB 0.733 31.054 30.300 0.036 0.000 0.956 298 R HN 0.583 nan 8.270 nan 0.000 0.422 299 L N 2.533 123.769 121.223 0.022 0.000 2.162 299 L HA 0.030 5.000 4.340 1.049 0.000 0.205 299 L C 0.779 177.657 176.870 0.013 0.000 1.086 299 L CA 1.386 56.235 54.840 0.015 0.000 0.778 299 L CB -1.000 41.067 42.059 0.013 0.000 0.928 299 L HN 0.679 nan 8.230 nan 0.000 0.446 300 N N -0.909 117.801 118.700 0.016 0.000 2.479 300 N HA 0.085 5.455 4.740 1.049 0.000 0.261 300 N C 0.788 176.312 175.510 0.023 0.000 0.979 300 N CA -0.364 52.695 53.050 0.016 0.000 0.930 300 N CB 1.566 40.060 38.487 0.011 0.000 1.172 300 N HN -0.016 nan 8.380 nan 0.000 0.499 301 c N 2.373 120.990 118.600 0.029 0.000 2.413 301 c HA -0.028 5.171 4.570 1.049 0.000 0.292 301 c C 2.205 176.314 174.090 0.032 0.000 1.435 301 c CA 0.455 56.807 56.329 0.039 0.000 1.791 301 c CB -1.358 41.185 42.510 0.055 0.000 1.784 301 c HN 0.759 nan 8.230 nan 0.000 0.548 302 R N 0.279 120.790 120.500 0.018 0.000 2.246 302 R HA 0.116 5.085 4.340 1.049 0.000 0.199 302 R C 0.468 176.776 176.300 0.014 0.000 0.984 302 R CA 0.594 56.694 56.100 -0.001 0.000 1.015 302 R CB 0.118 30.407 30.300 -0.019 0.000 0.930 302 R HN 0.553 nan 8.270 nan 0.000 0.475 303 V N -3.029 116.899 119.914 0.024 0.000 2.925 303 V HA 0.463 5.212 4.120 1.049 0.000 0.311 303 V C 0.009 176.130 176.094 0.045 0.000 1.104 303 V CA -1.279 61.041 62.300 0.034 0.000 0.954 303 V CB 2.161 33.988 31.823 0.008 0.000 1.022 303 V HN -0.300 nan 8.190 nan 0.000 0.427 304 V N 3.236 123.190 119.914 0.067 0.000 2.715 304 V HA 0.236 4.986 4.120 1.049 0.000 0.299 304 V C 0.662 176.778 176.094 0.038 0.000 1.054 304 V CA -0.281 62.054 62.300 0.059 0.000 1.077 304 V CB 0.664 32.538 31.823 0.084 0.000 0.972 304 V HN 1.002 nan 8.190 nan 0.000 0.484 305 N N 2.487 121.205 118.700 0.032 0.000 2.441 305 N HA 0.209 5.579 4.740 1.049 0.000 0.251 305 N C 0.064 175.586 175.510 0.021 0.000 1.242 305 N CA 0.085 53.149 53.050 0.024 0.000 0.898 305 N CB 0.883 39.384 38.487 0.024 0.000 1.100 305 N HN 0.938 nan 8.380 nan 0.000 0.443 306 S N 0.000 115.708 115.700 0.014 0.000 2.498 306 S HA 0.000 5.099 4.470 1.049 0.000 0.327 306 S CA 0.000 58.206 58.200 0.010 0.000 1.107 306 S CB 0.000 63.203 63.200 0.004 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517