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 1d8d_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.018 177.300 -0.470 0.000 1.155 17 P CA 0.000 62.826 63.100 -0.457 0.000 0.800 17 P CB 0.000 31.188 31.700 -0.853 0.000 0.726 18 V N 0.811 120.540 119.914 -0.309 0.000 2.453 18 V HA -0.054 4.066 4.120 -0.000 0.000 0.247 18 V C 1.340 177.352 176.094 -0.137 0.000 1.048 18 V CA 1.766 63.975 62.300 -0.152 0.000 1.049 18 V CB -0.441 31.382 31.823 -0.001 0.000 0.672 18 V HN 0.666 nan 8.190 nan 0.000 0.457 19 W N -0.194 121.098 121.300 -0.013 0.000 2.800 19 W HA 0.226 4.886 4.660 -0.000 0.000 0.249 19 W C 0.685 177.192 176.519 -0.020 0.000 1.294 19 W CA 0.158 57.495 57.345 -0.014 0.000 1.402 19 W CB -1.347 28.107 29.460 -0.010 0.000 1.126 19 W HN 0.274 nan 8.180 nan 0.000 0.652 20 S N 2.349 117.620 115.700 -0.715 0.000 2.488 20 S HA 0.080 4.550 4.470 -0.000 0.000 0.278 20 S C -0.156 174.291 174.600 -0.254 0.000 1.259 20 S CA 0.054 57.895 58.200 -0.598 0.000 1.061 20 S CB 1.015 63.739 63.200 -0.795 0.000 0.910 20 S HN 0.092 nan 8.310 nan 0.000 0.491 21 E N 4.942 125.062 120.200 -0.134 0.000 2.152 21 E HA 0.211 4.561 4.350 -0.000 0.000 0.285 21 E C -1.407 175.125 176.600 -0.114 0.000 1.043 21 E CA -2.113 54.224 56.400 -0.105 0.000 0.839 21 E CB 0.742 30.397 29.700 -0.075 0.000 1.069 21 E HN 0.245 nan 8.360 nan 0.000 0.399 22 P HA -0.051 nan 4.420 nan 0.000 0.229 22 P C -0.100 177.155 177.300 -0.076 0.000 1.160 22 P CA 0.518 63.561 63.100 -0.095 0.000 0.777 22 P CB 0.379 32.019 31.700 -0.099 0.000 0.814 23 L N 0.164 121.322 121.223 -0.109 0.000 2.260 23 L HA 0.198 4.538 4.340 -0.000 0.000 0.289 23 L C 1.854 178.642 176.870 -0.137 0.000 1.057 23 L CA -0.797 53.968 54.840 -0.125 0.000 0.811 23 L CB 0.581 42.522 42.059 -0.196 0.000 1.184 23 L HN -0.156 nan 8.230 nan 0.000 0.429 24 Y N 2.828 122.994 120.300 -0.222 0.000 2.151 24 Y HA -0.336 4.214 4.550 -0.000 0.000 0.284 24 Y C 2.338 177.939 175.900 -0.497 0.000 1.166 24 Y CA 2.204 60.158 58.100 -0.243 0.000 1.163 24 Y CB 0.291 38.653 38.460 -0.163 0.000 0.974 24 Y HN 0.662 nan 8.280 nan 0.000 0.511 25 S N 0.069 115.353 115.700 -0.694 0.000 2.481 25 S HA -0.039 4.430 4.470 -0.000 0.000 0.231 25 S C 1.599 175.424 174.600 -1.291 0.000 0.996 25 S CA 1.215 58.456 58.200 -1.598 0.000 0.942 25 S CB -0.214 61.773 63.200 -2.022 0.000 0.768 25 S HN 0.482 nan 8.310 nan 0.000 0.520 26 L N 0.298 121.115 121.223 -0.676 0.000 2.585 26 L HA 0.241 4.581 4.340 -0.000 0.000 0.226 26 L C 0.651 177.397 176.870 -0.206 0.000 1.113 26 L CA -0.074 54.549 54.840 -0.362 0.000 0.876 26 L CB -0.163 41.749 42.059 -0.245 0.000 1.072 26 L HN 0.059 nan 8.230 nan 0.000 0.468 27 R N 1.121 121.488 120.500 -0.221 0.000 2.679 27 R HA 0.038 4.378 4.340 -0.000 0.000 0.268 27 R C -1.385 174.896 176.300 -0.031 0.000 1.044 27 R CA -1.274 54.765 56.100 -0.101 0.000 1.105 27 R CB 0.105 30.335 30.300 -0.118 0.000 0.989 27 R HN -0.174 nan 8.270 nan 0.000 0.447 28 P HA -0.175 nan 4.420 nan 0.000 0.216 28 P C 0.226 177.546 177.300 0.033 0.000 1.150 28 P CA 1.271 64.391 63.100 0.034 0.000 0.837 28 P CB 0.279 32.004 31.700 0.042 0.000 0.786 29 E N -1.996 118.212 120.200 0.013 0.000 2.204 29 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 29 E C 1.857 178.442 176.600 -0.026 0.000 0.990 29 E CA 0.912 57.308 56.400 -0.006 0.000 0.821 29 E CB -1.203 28.487 29.700 -0.017 0.000 0.750 29 E HN 0.437 nan 8.360 nan 0.000 0.477 30 H N 0.585 119.572 119.070 -0.138 0.000 2.460 30 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 30 H C 1.821 177.181 175.328 0.052 0.000 1.103 30 H CA 1.505 57.458 56.048 -0.158 0.000 1.292 30 H CB -0.109 29.472 29.762 -0.301 0.000 1.376 30 H HN 0.217 nan 8.280 nan 0.000 0.531 31 A N 0.542 123.421 122.820 0.098 0.000 2.125 31 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 31 A C 2.231 179.823 177.584 0.014 0.000 1.156 31 A CA 1.116 53.222 52.037 0.115 0.000 0.671 31 A CB -0.311 18.751 19.000 0.103 0.000 0.794 31 A HN 0.464 nan 8.150 nan 0.000 0.459 32 R N -0.292 120.192 120.500 -0.026 0.000 2.276 32 R HA -0.015 4.325 4.340 -0.000 0.000 0.203 32 R C 0.717 176.983 176.300 -0.058 0.000 1.017 32 R CA 0.686 56.762 56.100 -0.039 0.000 1.010 32 R CB 0.002 30.283 30.300 -0.032 0.000 0.900 32 R HN 0.441 nan 8.270 nan 0.000 0.469 33 E N 0.685 120.830 120.200 -0.091 0.000 2.502 33 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 33 E C 0.385 176.977 176.600 -0.014 0.000 1.062 33 E CA 0.241 56.601 56.400 -0.067 0.000 0.867 33 E CB 0.100 29.684 29.700 -0.193 0.000 0.888 33 E HN 0.098 nan 8.360 nan 0.000 0.510 34 R N 0.824 121.261 120.500 -0.105 0.000 2.784 34 R HA 0.052 4.392 4.340 -0.000 0.000 0.266 34 R C 0.551 176.761 176.300 -0.151 0.000 1.044 34 R CA -0.537 55.397 56.100 -0.276 0.000 1.151 34 R CB 0.081 30.190 30.300 -0.317 0.000 1.037 34 R HN 0.057 nan 8.270 nan 0.000 0.478 35 L N 2.030 123.157 121.223 -0.160 0.000 2.499 35 L HA -0.042 4.298 4.340 -0.000 0.000 0.273 35 L C -0.103 176.726 176.870 -0.070 0.000 1.195 35 L CA 1.043 55.829 54.840 -0.089 0.000 0.882 35 L CB 0.292 42.302 42.059 -0.081 0.000 1.133 35 L HN 0.392 nan 8.230 nan 0.000 0.483 36 Q N 3.500 123.274 119.800 -0.045 0.000 2.394 36 Q HA 0.175 4.515 4.340 -0.000 0.000 0.259 36 Q C -0.200 175.785 176.000 -0.024 0.000 1.021 36 Q CA -0.370 55.413 55.803 -0.033 0.000 0.805 36 Q CB 1.060 29.784 28.738 -0.025 0.000 1.226 36 Q HN 0.732 nan 8.270 nan 0.000 0.476 37 D N 1.805 122.191 120.400 -0.023 0.000 2.328 37 D HA -0.088 4.552 4.640 -0.000 0.000 0.226 37 D C -0.377 175.917 176.300 -0.010 0.000 1.066 37 D CA -0.006 53.985 54.000 -0.016 0.000 0.861 37 D CB 0.249 41.038 40.800 -0.017 0.000 0.912 37 D HN 0.442 nan 8.370 nan 0.000 0.521 38 D N -0.014 120.380 120.400 -0.010 0.000 2.882 38 D HA -0.238 4.402 4.640 -0.000 0.000 0.229 38 D C -0.099 176.198 176.300 -0.006 0.000 1.167 38 D CA 1.127 55.123 54.000 -0.006 0.000 0.759 38 D CB -1.862 38.937 40.800 -0.002 0.000 1.088 38 D HN 0.275 nan 8.370 nan 0.000 0.425 39 S N -2.822 112.873 115.700 -0.008 0.000 3.380 39 S HA -0.229 4.241 4.470 -0.000 0.000 0.300 39 S C 0.290 174.887 174.600 -0.004 0.000 1.255 39 S CA 0.931 59.127 58.200 -0.007 0.000 0.963 39 S CB -0.854 62.342 63.200 -0.006 0.000 1.106 39 S HN 0.387 nan 8.310 nan 0.000 0.629 40 V N 2.008 121.920 119.914 -0.003 0.000 2.304 40 V HA 0.284 4.404 4.120 -0.000 0.000 0.278 40 V C 0.347 176.441 176.094 -0.000 0.000 1.018 40 V CA -0.510 61.790 62.300 -0.001 0.000 0.814 40 V CB 1.357 33.181 31.823 0.002 0.000 1.021 40 V HN 0.317 nan 8.190 nan 0.000 0.440 41 E N 3.272 123.472 120.200 -0.001 0.000 2.259 41 E HA 0.593 4.943 4.350 -0.000 0.000 0.281 41 E C 0.046 176.648 176.600 0.004 0.000 1.027 41 E CA -0.255 56.145 56.400 -0.000 0.000 0.838 41 E CB 1.799 31.498 29.700 -0.002 0.000 1.066 41 E HN 0.795 nan 8.360 nan 0.000 0.401 42 T N -2.080 112.477 114.554 0.006 0.000 2.841 42 T HA 0.196 4.545 4.350 -0.000 0.000 0.296 42 T C 0.989 175.696 174.700 0.012 0.000 1.166 42 T CA -0.829 61.278 62.100 0.010 0.000 1.007 42 T CB 1.030 69.907 68.868 0.015 0.000 1.253 42 T HN 0.104 nan 8.240 nan 0.000 0.511 43 V N 1.225 121.149 119.914 0.016 0.000 2.324 43 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 43 V C 2.912 179.018 176.094 0.020 0.000 1.060 43 V CA 2.850 65.160 62.300 0.018 0.000 1.042 43 V CB -1.378 30.459 31.823 0.022 0.000 0.650 43 V HN 1.118 nan 8.190 nan 0.000 0.450 44 T N 0.332 114.899 114.554 0.023 0.000 2.684 44 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 44 T C 2.095 176.805 174.700 0.016 0.000 1.036 44 T CA 2.065 64.180 62.100 0.024 0.000 1.148 44 T CB -0.387 68.498 68.868 0.029 0.000 0.863 44 T HN 0.765 nan 8.240 nan 0.000 0.436 45 S N 1.344 117.049 115.700 0.010 0.000 2.387 45 S HA 0.012 4.482 4.470 -0.000 0.000 0.226 45 S C 2.124 176.721 174.600 -0.004 0.000 1.026 45 S CA 0.647 58.847 58.200 -0.000 0.000 0.972 45 S CB -0.774 62.424 63.200 -0.003 0.000 0.814 45 S HN 0.481 nan 8.310 nan 0.000 0.477 46 I N 1.803 122.373 120.570 -0.000 0.000 2.163 46 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 46 I C 2.923 179.040 176.117 0.001 0.000 1.085 46 I CA 1.508 62.807 61.300 -0.002 0.000 1.347 46 I CB -0.381 37.620 38.000 0.002 0.000 1.044 46 I HN 0.272 nan 8.210 nan 0.000 0.408 47 E N 0.335 120.540 120.200 0.009 0.000 2.072 47 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 47 E C 2.022 178.630 176.600 0.014 0.000 0.985 47 E CA 1.185 57.594 56.400 0.015 0.000 0.801 47 E CB -0.330 29.385 29.700 0.025 0.000 0.750 47 E HN 0.407 nan 8.360 nan 0.000 0.452 48 Q N 0.847 120.652 119.800 0.009 0.000 2.084 48 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 48 Q C 1.927 177.920 176.000 -0.012 0.000 0.978 48 Q CA 1.967 57.774 55.803 0.006 0.000 0.844 48 Q CB -0.447 28.292 28.738 0.000 0.000 0.898 48 Q HN 0.196 nan 8.270 nan 0.000 0.426 49 A N 0.429 123.234 122.820 -0.026 0.000 1.933 49 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 49 A C 2.000 179.562 177.584 -0.037 0.000 1.175 49 A CA 1.639 53.647 52.037 -0.049 0.000 0.628 49 A CB -0.440 18.532 19.000 -0.046 0.000 0.814 49 A HN 0.407 nan 8.150 nan 0.000 0.444 50 K N -0.451 119.940 120.400 -0.015 0.000 2.063 50 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 50 K C 1.882 178.485 176.600 0.005 0.000 1.048 50 K CA 1.508 57.791 56.287 -0.006 0.000 0.928 50 K CB -0.388 32.114 32.500 0.002 0.000 0.713 50 K HN 0.307 nan 8.250 nan 0.000 0.442 51 V N 1.823 121.747 119.914 0.018 0.000 2.295 51 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 51 V C 1.999 178.130 176.094 0.063 0.000 1.049 51 V CA 1.771 64.097 62.300 0.044 0.000 1.024 51 V CB -0.413 31.446 31.823 0.060 0.000 0.648 51 V HN 0.339 nan 8.190 nan 0.000 0.447 52 E N -0.391 119.829 120.200 0.034 0.000 2.110 52 E HA -0.254 4.095 4.350 -0.000 0.000 0.193 52 E C 2.291 178.885 176.600 -0.010 0.000 0.988 52 E CA 1.210 57.613 56.400 0.006 0.000 0.804 52 E CB -0.111 29.431 29.700 -0.263 0.000 0.745 52 E HN 0.626 nan 8.360 nan 0.000 0.458 53 E N 0.959 121.139 120.200 -0.032 0.000 2.072 53 E HA -0.217 4.132 4.350 -0.000 0.000 0.191 53 E C 1.996 178.616 176.600 0.032 0.000 0.985 53 E CA 0.969 57.364 56.400 -0.008 0.000 0.801 53 E CB 0.141 29.831 29.700 -0.016 0.000 0.750 53 E HN -0.085 nan 8.360 nan 0.000 0.452 54 K N 0.721 121.135 120.400 0.024 0.000 2.057 54 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 54 K C 1.934 178.526 176.600 -0.012 0.000 1.050 54 K CA 0.853 57.146 56.287 0.009 0.000 0.935 54 K CB -0.176 32.327 32.500 0.004 0.000 0.715 54 K HN 0.103 nan 8.250 nan 0.000 0.439 55 I N 0.916 121.489 120.570 0.005 0.000 2.315 55 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 55 I C 2.189 178.162 176.117 -0.240 0.000 1.117 55 I CA 1.181 62.388 61.300 -0.156 0.000 1.404 55 I CB -1.123 36.851 38.000 -0.044 0.000 1.071 55 I HN 0.328 nan 8.210 nan 0.000 0.419 56 Q N 1.534 121.424 119.800 0.150 0.000 2.124 56 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 56 Q C 2.022 178.129 176.000 0.178 0.000 0.977 56 Q CA 1.692 57.687 55.803 0.319 0.000 0.850 56 Q CB -0.117 28.823 28.738 0.337 0.000 0.901 56 Q HN 0.496 nan 8.270 nan 0.000 0.429 57 E N -1.023 119.239 120.200 0.103 0.000 2.077 57 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 57 E C 1.963 178.586 176.600 0.040 0.000 0.989 57 E CA 1.438 57.901 56.400 0.105 0.000 0.800 57 E CB -0.026 29.710 29.700 0.060 0.000 0.746 57 E HN 0.194 nan 8.360 nan 0.000 0.452 58 V N 0.919 120.801 119.914 -0.053 0.000 2.255 58 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 58 V C 2.017 178.140 176.094 0.047 0.000 1.051 58 V CA 1.834 64.080 62.300 -0.090 0.000 1.018 58 V CB -0.651 31.059 31.823 -0.188 0.000 0.641 58 V HN 0.286 nan 8.190 nan 0.000 0.445 59 F N 0.491 120.472 119.950 0.051 0.000 2.095 59 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 59 F C 2.611 178.433 175.800 0.037 0.000 1.104 59 F CA 1.403 59.437 58.000 0.057 0.000 1.232 59 F CB -0.360 38.643 39.000 0.006 0.000 0.987 59 F HN 0.120 nan 8.300 nan 0.000 0.475 60 S N -0.274 115.516 115.700 0.150 0.000 2.522 60 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 60 S C 2.051 176.509 174.600 -0.237 0.000 0.986 60 S CA 0.784 58.886 58.200 -0.164 0.000 0.929 60 S CB -0.384 62.631 63.200 -0.308 0.000 0.769 60 S HN 0.465 nan 8.310 nan 0.000 0.529 61 S N 1.552 117.187 115.700 -0.109 0.000 2.365 61 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 61 S C 1.603 176.059 174.600 -0.241 0.000 1.039 61 S CA 1.352 59.441 58.200 -0.186 0.000 1.033 61 S CB -0.988 62.003 63.200 -0.348 0.000 0.887 61 S HN 0.603 nan 8.310 nan 0.000 0.447 62 Y N 2.439 122.705 120.300 -0.056 0.000 2.145 62 Y HA -0.046 4.504 4.550 -0.000 0.000 0.286 62 Y C 2.757 178.594 175.900 -0.106 0.000 1.145 62 Y CA 1.490 59.554 58.100 -0.059 0.000 1.148 62 Y CB -0.460 37.972 38.460 -0.046 0.000 0.981 62 Y HN 0.322 nan 8.280 nan 0.000 0.507 63 K N 0.373 120.753 120.400 -0.034 0.000 2.026 63 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 63 K C 1.760 178.222 176.600 -0.230 0.000 1.048 63 K CA 1.738 57.929 56.287 -0.160 0.000 0.929 63 K CB -0.570 31.738 32.500 -0.319 0.000 0.713 63 K HN 0.337 nan 8.250 nan 0.000 0.439 64 F N 0.996 120.852 119.950 -0.155 0.000 2.407 64 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 64 F C 1.716 177.232 175.800 -0.474 0.000 1.097 64 F CA 0.041 57.879 58.000 -0.271 0.000 1.422 64 F CB 0.064 38.986 39.000 -0.131 0.000 1.067 64 F HN 0.143 nan 8.300 nan 0.000 0.539 65 N N -1.267 117.323 118.700 -0.184 0.000 2.353 65 N HA -0.050 4.690 4.740 -0.000 0.000 0.185 65 N C -0.332 175.122 175.510 -0.094 0.000 1.098 65 N CA 0.462 53.425 53.050 -0.143 0.000 0.872 65 N CB -0.239 38.222 38.487 -0.043 0.000 0.970 65 N HN 0.209 nan 8.380 nan 0.000 0.467 66 H N -0.463 118.665 119.070 0.098 0.000 2.819 66 H HA -0.128 4.428 4.556 -0.000 0.000 0.323 66 H C -0.586 174.786 175.328 0.074 0.000 1.243 66 H CA 0.529 56.624 56.048 0.079 0.000 1.163 66 H CB -2.096 27.707 29.762 0.069 0.000 1.493 66 H HN 0.206 nan 8.280 nan 0.000 0.434 67 L N -0.437 120.880 121.223 0.156 0.000 2.393 67 L HA 0.541 4.880 4.340 -0.000 0.000 0.260 67 L C 0.495 177.440 176.870 0.125 0.000 1.002 67 L CA -1.317 53.608 54.840 0.142 0.000 0.818 67 L CB 2.700 44.856 42.059 0.161 0.000 1.369 67 L HN 0.071 nan 8.230 nan 0.000 0.412 68 V N 1.312 121.266 119.914 0.066 0.000 2.461 68 V HA 0.439 4.559 4.120 -0.000 0.000 0.275 68 V C -2.194 173.850 176.094 -0.083 0.000 1.047 68 V CA -1.404 60.890 62.300 -0.009 0.000 0.955 68 V CB 0.812 32.620 31.823 -0.025 0.000 0.988 68 V HN 0.578 nan 8.190 nan 0.000 0.471 69 P HA 0.243 nan 4.420 nan 0.000 0.264 69 P C -1.032 176.047 177.300 -0.368 0.000 1.193 69 P CA 0.269 62.927 63.100 -0.736 0.000 0.763 69 P CB 0.101 31.241 31.700 -0.934 0.000 0.810 70 R N 3.028 123.377 120.500 -0.253 0.000 2.483 70 R HA 0.477 4.817 4.340 -0.000 0.000 0.303 70 R C -1.159 175.102 176.300 -0.065 0.000 0.987 70 R CA -0.721 55.313 56.100 -0.110 0.000 0.881 70 R CB 0.798 31.076 30.300 -0.037 0.000 1.177 70 R HN 0.271 nan 8.270 nan 0.000 0.451 71 L N 4.253 125.434 121.223 -0.069 0.000 2.282 71 L HA 0.392 4.732 4.340 -0.000 0.000 0.287 71 L C -0.631 176.238 176.870 -0.002 0.000 1.075 71 L CA -0.996 53.831 54.840 -0.022 0.000 0.839 71 L CB 1.312 43.352 42.059 -0.032 0.000 1.219 71 L HN 0.457 nan 8.230 nan 0.000 0.434 72 V N 4.480 124.405 119.914 0.018 0.000 2.448 72 V HA 0.261 4.381 4.120 -0.000 0.000 0.295 72 V C -0.014 176.098 176.094 0.029 0.000 1.025 72 V CA -0.679 61.630 62.300 0.015 0.000 0.859 72 V CB 2.375 34.202 31.823 0.007 0.000 0.988 72 V HN 0.463 nan 8.190 nan 0.000 0.431 73 L N 5.433 126.679 121.223 0.038 0.000 2.369 73 L HA 0.339 4.678 4.340 -0.000 0.000 0.279 73 L C 0.818 177.707 176.870 0.031 0.000 1.108 73 L CA 0.407 55.297 54.840 0.082 0.000 0.852 73 L CB 0.788 42.903 42.059 0.094 0.000 1.169 73 L HN 0.609 nan 8.230 nan 0.000 0.452 74 Q N 5.483 125.252 119.800 -0.051 0.000 3.151 74 Q HA 0.017 4.356 4.340 -0.000 0.000 0.277 74 Q C 1.107 176.873 176.000 -0.390 0.000 1.343 74 Q CA 0.242 55.889 55.803 -0.260 0.000 0.925 74 Q CB -0.421 28.102 28.738 -0.359 0.000 1.771 74 Q HN 0.721 nan 8.270 nan 0.000 0.514 75 R N 0.472 120.916 120.500 -0.093 0.000 2.113 75 R HA -0.259 4.081 4.340 -0.000 0.000 0.244 75 R C 1.898 178.222 176.300 0.040 0.000 1.142 75 R CA 1.807 57.920 56.100 0.022 0.000 0.953 75 R CB -0.072 30.247 30.300 0.032 0.000 0.860 75 R HN 0.345 nan 8.270 nan 0.000 0.438 76 E N 1.130 121.332 120.200 0.003 0.000 2.070 76 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 76 E C 1.733 178.410 176.600 0.129 0.000 1.004 76 E CA 1.583 58.029 56.400 0.077 0.000 0.805 76 E CB 0.081 29.795 29.700 0.024 0.000 0.744 76 E HN 0.044 nan 8.360 nan 0.000 0.451 77 K N -0.240 120.145 120.400 -0.025 0.000 2.057 77 K HA -0.142 4.177 4.320 -0.000 0.000 0.207 77 K C 2.200 178.860 176.600 0.100 0.000 1.049 77 K CA 1.516 57.788 56.287 -0.024 0.000 0.931 77 K CB -0.606 31.790 32.500 -0.173 0.000 0.714 77 K HN 0.410 nan 8.250 nan 0.000 0.440 78 H N -0.424 118.748 119.070 0.170 0.000 2.353 78 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 78 H C 1.971 177.465 175.328 0.276 0.000 1.090 78 H CA 0.972 57.144 56.048 0.208 0.000 1.327 78 H CB -0.664 29.185 29.762 0.146 0.000 1.383 78 H HN 0.147 nan 8.280 nan 0.000 0.508 79 F N 1.623 121.704 119.950 0.218 0.000 2.102 79 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 79 F C 2.856 178.746 175.800 0.151 0.000 1.105 79 F CA 1.785 59.874 58.000 0.148 0.000 1.239 79 F CB -0.498 38.559 39.000 0.093 0.000 0.991 79 F HN 0.236 nan 8.300 nan 0.000 0.474 80 H N -1.093 117.994 119.070 0.029 0.000 2.321 80 H HA -0.270 4.286 4.556 -0.000 0.000 0.300 80 H C 2.238 177.558 175.328 -0.013 0.000 1.087 80 H CA 2.263 58.263 56.048 -0.081 0.000 1.319 80 H CB -1.069 28.726 29.762 0.055 0.000 1.379 80 H HN 0.434 nan 8.280 nan 0.000 0.501 81 Y N 1.403 121.702 120.300 -0.001 0.000 2.128 81 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 81 Y C 2.638 178.587 175.900 0.082 0.000 1.154 81 Y CA 1.786 59.910 58.100 0.040 0.000 1.149 81 Y CB -0.699 37.832 38.460 0.118 0.000 0.976 81 Y HN 0.150 nan 8.280 nan 0.000 0.505 82 L N 0.191 121.412 121.223 -0.002 0.000 2.027 82 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 82 L C 2.656 179.340 176.870 -0.311 0.000 1.074 82 L CA 1.865 56.639 54.840 -0.111 0.000 0.745 82 L CB -0.701 41.353 42.059 -0.008 0.000 0.898 82 L HN 0.104 nan 8.230 nan 0.000 0.433 83 K N 0.486 120.607 120.400 -0.465 0.000 2.074 83 K HA -0.272 4.048 4.320 -0.000 0.000 0.209 83 K C 2.364 178.723 176.600 -0.402 0.000 1.048 83 K CA 1.778 57.746 56.287 -0.532 0.000 0.926 83 K CB -0.055 31.911 32.500 -0.890 0.000 0.713 83 K HN 0.121 nan 8.250 nan 0.000 0.444 84 R N -0.375 119.873 120.500 -0.419 0.000 2.062 84 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 84 R C 2.369 178.492 176.300 -0.294 0.000 1.128 84 R CA 1.549 57.453 56.100 -0.327 0.000 0.960 84 R CB -0.590 29.508 30.300 -0.338 0.000 0.855 84 R HN 0.370 nan 8.270 nan 0.000 0.432 85 G N 1.297 109.893 108.800 -0.339 0.000 2.450 85 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 85 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 85 G C 1.264 175.801 174.900 -0.604 0.000 1.130 85 G CA 0.641 45.415 45.100 -0.543 0.000 0.760 85 G HN 0.316 nan 8.290 nan 0.000 0.557 86 L N -0.370 120.560 121.223 -0.489 0.000 2.353 86 L HA 0.196 4.535 4.340 -0.000 0.000 0.220 86 L C 2.487 179.160 176.870 -0.327 0.000 1.133 86 L CA 1.529 56.132 54.840 -0.395 0.000 0.798 86 L CB -0.169 41.711 42.059 -0.299 0.000 0.922 86 L HN 0.131 nan 8.230 nan 0.000 0.445 87 R N -1.301 119.023 120.500 -0.294 0.000 2.121 87 R HA 0.280 4.619 4.340 -0.000 0.000 0.206 87 R C 0.281 176.448 176.300 -0.221 0.000 1.094 87 R CA 0.447 56.406 56.100 -0.234 0.000 1.055 87 R CB 0.280 30.470 30.300 -0.183 0.000 0.964 87 R HN 0.428 nan 8.270 nan 0.000 0.473 88 Q N -0.289 119.385 119.800 -0.209 0.000 2.340 88 Q HA 0.502 4.842 4.340 -0.000 0.000 0.276 88 Q C -1.800 174.118 176.000 -0.137 0.000 1.048 88 Q CA -0.652 55.060 55.803 -0.153 0.000 0.832 88 Q CB 1.852 30.532 28.738 -0.098 0.000 1.373 88 Q HN 0.059 nan 8.270 nan 0.000 0.409 89 L N 1.324 122.495 121.223 -0.087 0.000 2.371 89 L HA 0.609 4.949 4.340 -0.000 0.000 0.262 89 L C 0.316 177.251 176.870 0.108 0.000 1.006 89 L CA -0.882 53.953 54.840 -0.007 0.000 0.818 89 L CB 2.186 44.193 42.059 -0.086 0.000 1.354 89 L HN 0.791 nan 8.230 nan 0.000 0.415 90 T N -3.576 111.105 114.554 0.211 0.000 2.732 90 T HA 0.076 4.426 4.350 -0.000 0.000 0.287 90 T C 0.739 175.559 174.700 0.200 0.000 0.993 90 T CA -0.170 62.038 62.100 0.181 0.000 0.966 90 T CB 0.627 69.601 68.868 0.177 0.000 1.047 90 T HN 0.742 nan 8.240 nan 0.000 0.527 91 D N -0.445 120.031 120.400 0.128 0.000 2.392 91 D HA 0.032 4.672 4.640 -0.000 0.000 0.228 91 D C 1.848 178.198 176.300 0.083 0.000 1.003 91 D CA 0.769 54.830 54.000 0.102 0.000 0.917 91 D CB -0.724 40.115 40.800 0.065 0.000 0.890 91 D HN 0.663 nan 8.370 nan 0.000 0.532 92 A N -0.419 122.455 122.820 0.090 0.000 2.121 92 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 92 A C 1.122 178.574 177.584 -0.220 0.000 1.154 92 A CA 0.564 52.573 52.037 -0.046 0.000 0.679 92 A CB -0.808 18.169 19.000 -0.039 0.000 0.795 92 A HN 0.344 nan 8.150 nan 0.000 0.458 93 Y N -0.104 120.265 120.300 0.114 0.000 2.493 93 Y HA 0.164 4.714 4.550 -0.000 0.000 0.275 93 Y C 1.821 177.782 175.900 0.101 0.000 1.183 93 Y CA -0.080 58.100 58.100 0.133 0.000 1.258 93 Y CB 0.043 38.599 38.460 0.160 0.000 1.108 93 Y HN 0.425 nan 8.280 nan 0.000 0.521 94 E N -0.242 120.033 120.200 0.125 0.000 2.110 94 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 94 E C 2.078 178.730 176.600 0.086 0.000 0.988 94 E CA 1.595 58.054 56.400 0.098 0.000 0.804 94 E CB -0.207 29.531 29.700 0.063 0.000 0.745 94 E HN 0.648 nan 8.360 nan 0.000 0.458 95 C N -0.340 118.995 119.300 0.059 0.000 2.430 95 C HA 0.045 4.505 4.460 -0.000 0.000 0.288 95 C C 1.754 176.801 174.990 0.094 0.000 1.448 95 C CA -0.041 59.008 59.018 0.052 0.000 1.784 95 C CB -1.021 26.727 27.740 0.013 0.000 1.776 95 C HN 0.218 nan 8.230 nan 0.000 0.547 96 L N 0.718 122.036 121.223 0.159 0.000 3.066 96 L HA 0.232 4.572 4.340 -0.000 0.000 0.265 96 L C 1.560 178.544 176.870 0.189 0.000 1.232 96 L CA 0.145 55.115 54.840 0.217 0.000 1.031 96 L CB -0.285 42.005 42.059 0.385 0.000 1.379 96 L HN 0.155 nan 8.230 nan 0.000 0.563 97 D N 1.475 121.959 120.400 0.140 0.000 2.309 97 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 97 D C 1.685 178.045 176.300 0.100 0.000 0.968 97 D CA 1.055 55.125 54.000 0.116 0.000 0.882 97 D CB 0.486 41.339 40.800 0.088 0.000 0.918 97 D HN 0.293 nan 8.370 nan 0.000 0.503 98 A N -0.901 121.972 122.820 0.088 0.000 2.507 98 A HA 0.400 4.720 4.320 -0.000 0.000 0.270 98 A C 0.755 178.386 177.584 0.079 0.000 1.318 98 A CA -0.246 51.828 52.037 0.060 0.000 0.924 98 A CB 0.372 19.387 19.000 0.025 0.000 1.061 98 A HN 0.043 nan 8.150 nan 0.000 0.516 99 S N -0.831 114.950 115.700 0.135 0.000 3.025 99 S HA 0.164 4.634 4.470 -0.000 0.000 0.251 99 S C 1.080 175.785 174.600 0.175 0.000 0.954 99 S CA -0.506 57.817 58.200 0.206 0.000 1.092 99 S CB 0.069 63.392 63.200 0.206 0.000 1.079 99 S HN 0.603 nan 8.310 nan 0.000 0.543 100 R N 1.800 122.395 120.500 0.158 0.000 2.120 100 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 100 R C -1.166 175.215 176.300 0.134 0.000 1.123 100 R CA 1.296 57.496 56.100 0.167 0.000 0.975 100 R CB -1.187 29.284 30.300 0.285 0.000 0.866 100 R HN 0.300 nan 8.270 nan 0.000 0.446 101 P HA -0.128 nan 4.420 nan 0.000 0.223 101 P C 0.327 177.501 177.300 -0.211 0.000 1.151 101 P CA 0.930 63.976 63.100 -0.090 0.000 0.787 101 P CB -0.020 31.537 31.700 -0.238 0.000 0.788 102 W N -0.657 120.453 121.300 -0.316 0.000 2.381 102 W HA -0.037 4.623 4.660 -0.000 0.000 0.301 102 W C 2.052 178.041 176.519 -0.883 0.000 1.205 102 W CA 0.487 57.395 57.345 -0.729 0.000 1.285 102 W CB -0.872 27.944 29.460 -1.073 0.000 1.133 102 W HN -0.148 nan 8.180 nan 0.000 0.521 103 L N -0.960 120.118 121.223 -0.242 0.000 2.083 103 L HA -0.287 4.053 4.340 -0.000 0.000 0.209 103 L C 2.355 179.156 176.870 -0.116 0.000 1.083 103 L CA 1.091 55.897 54.840 -0.057 0.000 0.752 103 L CB -0.986 41.035 42.059 -0.064 0.000 0.899 103 L HN 0.076 nan 8.230 nan 0.000 0.433 104 C N -1.359 117.874 119.300 -0.113 0.000 2.432 104 C HA -0.226 4.234 4.460 -0.000 0.000 0.277 104 C C 2.747 177.692 174.990 -0.075 0.000 1.249 104 C CA 0.668 59.624 59.018 -0.103 0.000 1.725 104 C CB -0.807 26.907 27.740 -0.044 0.000 2.028 104 C HN 0.572 nan 8.230 nan 0.000 0.477 105 Y N 0.632 120.817 120.300 -0.191 0.000 2.114 105 Y HA -0.187 4.362 4.550 -0.000 0.000 0.284 105 Y C 2.322 178.252 175.900 0.051 0.000 1.143 105 Y CA 1.488 59.497 58.100 -0.151 0.000 1.135 105 Y CB -0.712 37.570 38.460 -0.296 0.000 0.980 105 Y HN 0.375 nan 8.280 nan 0.000 0.499 106 W N 0.651 121.819 121.300 -0.220 0.000 2.338 106 W HA -0.231 4.429 4.660 -0.000 0.000 0.304 106 W C 2.458 178.817 176.519 -0.266 0.000 1.212 106 W CA 1.533 58.694 57.345 -0.306 0.000 1.264 106 W CB -1.252 28.243 29.460 0.058 0.000 1.142 106 W HN 0.214 nan 8.180 nan 0.000 0.512 107 I N -0.369 120.208 120.570 0.012 0.000 2.193 107 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 107 I C 2.459 178.513 176.117 -0.105 0.000 1.084 107 I CA 1.071 62.313 61.300 -0.098 0.000 1.365 107 I CB -0.869 36.956 38.000 -0.293 0.000 1.064 107 I HN -0.184 nan 8.210 nan 0.000 0.410 108 L N -0.076 121.080 121.223 -0.113 0.000 2.046 108 L HA -0.273 4.067 4.340 -0.000 0.000 0.208 108 L C 2.755 179.589 176.870 -0.061 0.000 1.077 108 L CA 1.500 56.293 54.840 -0.078 0.000 0.747 108 L CB -0.851 41.173 42.059 -0.058 0.000 0.896 108 L HN 0.340 nan 8.230 nan 0.000 0.432 109 H N -0.312 118.609 119.070 -0.248 0.000 2.357 109 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 109 H C 2.406 177.625 175.328 -0.180 0.000 1.082 109 H CA 1.668 57.563 56.048 -0.256 0.000 1.342 109 H CB 0.057 29.500 29.762 -0.531 0.000 1.389 109 H HN 0.120 nan 8.280 nan 0.000 0.511 110 S N -0.007 115.553 115.700 -0.235 0.000 2.370 110 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 110 S C 2.332 176.861 174.600 -0.118 0.000 1.033 110 S CA 1.299 59.376 58.200 -0.206 0.000 1.011 110 S CB -0.312 62.839 63.200 -0.082 0.000 0.852 110 S HN 0.360 nan 8.310 nan 0.000 0.457 111 L N 1.221 122.410 121.223 -0.056 0.000 2.046 111 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 111 L C 2.745 179.605 176.870 -0.017 0.000 1.077 111 L CA 1.530 56.383 54.840 0.020 0.000 0.747 111 L CB -0.548 41.535 42.059 0.039 0.000 0.896 111 L HN 0.432 nan 8.230 nan 0.000 0.432 112 E N 0.813 120.972 120.200 -0.069 0.000 2.077 112 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 112 E C 2.339 178.882 176.600 -0.094 0.000 0.989 112 E CA 1.161 57.524 56.400 -0.062 0.000 0.800 112 E CB -0.088 29.593 29.700 -0.031 0.000 0.746 112 E HN 0.467 nan 8.360 nan 0.000 0.452 113 L N 0.525 121.627 121.223 -0.202 0.000 2.083 113 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 113 L C 2.416 179.251 176.870 -0.059 0.000 1.083 113 L CA 0.815 55.556 54.840 -0.166 0.000 0.752 113 L CB -0.190 41.702 42.059 -0.278 0.000 0.899 113 L HN 0.258 nan 8.230 nan 0.000 0.433 114 L N -0.684 120.515 121.223 -0.039 0.000 2.599 114 L HA -0.036 4.304 4.340 -0.000 0.000 0.230 114 L C 0.304 177.171 176.870 -0.005 0.000 1.141 114 L CA -0.002 54.843 54.840 0.009 0.000 0.877 114 L CB -0.376 41.722 42.059 0.064 0.000 1.009 114 L HN 0.257 nan 8.230 nan 0.000 0.447 115 D N 1.271 121.662 120.400 -0.015 0.000 2.699 115 D HA -0.171 4.469 4.640 -0.000 0.000 0.239 115 D C -0.149 176.129 176.300 -0.037 0.000 1.136 115 D CA 0.617 54.604 54.000 -0.022 0.000 0.668 115 D CB -0.338 40.450 40.800 -0.021 0.000 1.060 115 D HN 0.252 nan 8.370 nan 0.000 0.429 116 E N 1.076 121.268 120.200 -0.014 0.000 2.151 116 E HA 0.372 4.722 4.350 -0.000 0.000 0.275 116 E C -1.901 174.710 176.600 0.019 0.000 0.936 116 E CA -1.612 54.779 56.400 -0.014 0.000 0.777 116 E CB 1.285 31.043 29.700 0.096 0.000 1.108 116 E HN 0.262 nan 8.360 nan 0.000 0.401 117 P HA 0.152 nan 4.420 nan 0.000 0.269 117 P C -0.224 177.091 177.300 0.026 0.000 1.209 117 P CA -0.273 62.830 63.100 0.005 0.000 0.776 117 P CB 0.890 32.584 31.700 -0.009 0.000 0.876 118 I N 3.554 124.126 120.570 0.003 0.000 2.306 118 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 118 I C -2.015 174.093 176.117 -0.015 0.000 1.036 118 I CA -2.818 58.478 61.300 -0.006 0.000 1.221 118 I CB 0.033 38.017 38.000 -0.028 0.000 1.385 118 I HN 0.158 nan 8.210 nan 0.000 0.472 119 P HA 0.074 nan 4.420 nan 0.000 0.267 119 P C 0.680 177.963 177.300 -0.028 0.000 1.200 119 P CA -0.242 62.850 63.100 -0.013 0.000 0.772 119 P CB 0.696 32.393 31.700 -0.005 0.000 0.855 120 Q N 1.288 121.070 119.800 -0.030 0.000 2.291 120 Q HA -0.060 4.280 4.340 -0.000 0.000 0.205 120 Q C 1.834 177.813 176.000 -0.035 0.000 0.970 120 Q CA 1.160 56.941 55.803 -0.037 0.000 0.876 120 Q CB -0.401 28.315 28.738 -0.037 0.000 0.935 120 Q HN 0.576 nan 8.270 nan 0.000 0.455 121 I N -0.352 120.200 120.570 -0.030 0.000 2.202 121 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 121 I C 2.051 178.146 176.117 -0.037 0.000 1.091 121 I CA 0.756 62.038 61.300 -0.030 0.000 1.368 121 I CB -0.051 37.933 38.000 -0.027 0.000 1.058 121 I HN -0.010 nan 8.210 nan 0.000 0.410 122 V N 0.940 120.829 119.914 -0.042 0.000 2.261 122 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 122 V C 2.689 178.751 176.094 -0.053 0.000 1.047 122 V CA 1.967 64.235 62.300 -0.054 0.000 1.015 122 V CB -1.134 30.655 31.823 -0.057 0.000 0.642 122 V HN 0.495 nan 8.190 nan 0.000 0.446 123 A N -0.532 122.256 122.820 -0.052 0.000 1.892 123 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 123 A C 2.482 180.035 177.584 -0.051 0.000 1.188 123 A CA 2.892 54.893 52.037 -0.060 0.000 0.631 123 A CB -1.191 17.766 19.000 -0.071 0.000 0.822 123 A HN 0.478 nan 8.150 nan 0.000 0.447 124 T N -0.936 113.592 114.554 -0.043 0.000 2.788 124 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 124 T C 1.506 176.198 174.700 -0.013 0.000 1.044 124 T CA 1.891 63.972 62.100 -0.031 0.000 1.139 124 T CB -0.563 68.288 68.868 -0.028 0.000 0.867 124 T HN 0.463 nan 8.240 nan 0.000 0.454 125 D N 0.361 120.752 120.400 -0.015 0.000 2.178 125 D HA -0.017 4.623 4.640 -0.000 0.000 0.202 125 D C 2.189 178.510 176.300 0.035 0.000 0.974 125 D CA 0.603 54.603 54.000 0.000 0.000 0.841 125 D CB -0.376 40.407 40.800 -0.028 0.000 0.953 125 D HN 0.300 nan 8.370 nan 0.000 0.478 126 V N 0.337 120.259 119.914 0.013 0.000 2.358 126 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 126 V C 2.623 178.760 176.094 0.072 0.000 1.047 126 V CA 1.138 63.468 62.300 0.051 0.000 1.035 126 V CB -0.411 31.405 31.823 -0.012 0.000 0.658 126 V HN 0.294 nan 8.190 nan 0.000 0.452 127 C N -0.403 118.906 119.300 0.016 0.000 2.413 127 C HA -0.234 4.225 4.460 -0.000 0.000 0.277 127 C C 2.867 177.875 174.990 0.029 0.000 1.228 127 C CA 1.308 60.329 59.018 0.005 0.000 1.731 127 C CB -1.123 26.607 27.740 -0.017 0.000 2.042 127 C HN 0.602 nan 8.230 nan 0.000 0.468 128 Q N -0.671 119.154 119.800 0.042 0.000 2.096 128 Q HA -0.220 4.119 4.340 -0.000 0.000 0.204 128 Q C 2.042 178.085 176.000 0.071 0.000 0.982 128 Q CA 1.841 57.673 55.803 0.047 0.000 0.850 128 Q CB -0.409 28.357 28.738 0.047 0.000 0.901 128 Q HN 0.770 nan 8.270 nan 0.000 0.422 129 F N 1.215 121.150 119.950 -0.024 0.000 2.102 129 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 129 F C 1.702 177.501 175.800 -0.001 0.000 1.105 129 F CA 1.284 59.270 58.000 -0.024 0.000 1.239 129 F CB -0.215 38.757 39.000 -0.047 0.000 0.991 129 F HN -0.037 nan 8.300 nan 0.000 0.474 130 L N -0.087 121.010 121.223 -0.209 0.000 2.191 130 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 130 L C 2.425 179.278 176.870 -0.028 0.000 1.103 130 L CA 1.413 56.112 54.840 -0.235 0.000 0.769 130 L CB -0.752 41.221 42.059 -0.143 0.000 0.908 130 L HN 0.227 nan 8.230 nan 0.000 0.438 131 E N 0.346 120.534 120.200 -0.021 0.000 2.077 131 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 131 E C 2.335 178.882 176.600 -0.089 0.000 0.989 131 E CA 0.988 57.383 56.400 -0.008 0.000 0.800 131 E CB -0.028 29.667 29.700 -0.008 0.000 0.746 131 E HN 0.459 nan 8.360 nan 0.000 0.452 132 L N 0.012 121.151 121.223 -0.141 0.000 2.191 132 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 132 L C 2.279 179.022 176.870 -0.212 0.000 1.103 132 L CA 0.492 55.237 54.840 -0.157 0.000 0.769 132 L CB -0.132 41.851 42.059 -0.127 0.000 0.908 132 L HN 0.328 nan 8.230 nan 0.000 0.438 133 C N -1.134 117.994 119.300 -0.288 0.000 2.514 133 C HA -0.019 4.441 4.460 -0.000 0.000 0.271 133 C C 1.512 176.422 174.990 -0.133 0.000 1.399 133 C CA -0.458 58.429 59.018 -0.218 0.000 1.765 133 C CB -0.764 26.817 27.740 -0.265 0.000 1.893 133 C HN 0.405 nan 8.230 nan 0.000 0.531 134 Q N 1.593 121.272 119.800 -0.202 0.000 2.313 134 Q HA 0.174 4.514 4.340 -0.000 0.000 0.266 134 Q C 0.268 176.048 176.000 -0.367 0.000 0.989 134 Q CA 0.167 55.647 55.803 -0.538 0.000 0.890 134 Q CB 0.630 28.972 28.738 -0.660 0.000 1.200 134 Q HN 0.454 nan 8.270 nan 0.000 0.396 135 S N 3.757 119.218 115.700 -0.398 0.000 2.584 135 S HA 0.260 4.730 4.470 -0.000 0.000 0.273 135 S C -1.831 172.641 174.600 -0.214 0.000 1.311 135 S CA -1.434 56.614 58.200 -0.253 0.000 1.034 135 S CB 0.780 63.831 63.200 -0.248 0.000 0.939 135 S HN 0.602 nan 8.310 nan 0.000 0.513 136 P HA -0.007 nan 4.420 nan 0.000 0.220 136 P C 0.146 177.399 177.300 -0.077 0.000 1.148 136 P CA 0.923 63.969 63.100 -0.090 0.000 0.803 136 P CB 0.094 31.765 31.700 -0.049 0.000 0.782 137 D N -1.156 119.200 120.400 -0.073 0.000 2.339 137 D HA 0.249 4.888 4.640 -0.000 0.000 0.217 137 D C 1.060 177.327 176.300 -0.056 0.000 1.050 137 D CA 0.610 54.591 54.000 -0.033 0.000 0.856 137 D CB 0.218 41.030 40.800 0.020 0.000 0.922 137 D HN 0.110 nan 8.370 nan 0.000 0.518 138 G N -0.280 108.411 108.800 -0.182 0.000 2.617 138 G HA2 0.411 4.371 3.960 -0.000 0.000 0.686 138 G HA3 0.411 4.371 3.960 -0.000 0.000 0.686 138 G C 0.164 174.726 174.900 -0.563 0.000 1.214 138 G CA -0.387 44.570 45.100 -0.238 0.000 0.796 138 G HN 0.652 nan 8.290 nan 0.000 0.654 139 G N -0.872 107.612 108.800 -0.527 0.000 2.795 139 G HA2 0.360 4.320 3.960 -0.000 0.000 0.664 139 G HA3 0.360 4.320 3.960 -0.000 0.000 0.664 139 G C -0.507 174.003 174.900 -0.651 0.000 1.381 139 G CA 0.094 44.853 45.100 -0.568 0.000 0.853 139 G HN 1.753 nan 8.290 nan 0.000 0.545 140 F N 0.449 120.261 119.950 -0.229 0.000 2.508 140 F HA 0.710 5.237 4.527 -0.000 0.000 0.325 140 F C 1.118 176.844 175.800 -0.123 0.000 1.090 140 F CA 0.217 58.108 58.000 -0.181 0.000 0.945 140 F CB 2.112 41.007 39.000 -0.175 0.000 1.156 140 F HN 0.805 nan 8.300 nan 0.000 0.463 141 G N 0.052 108.879 108.800 0.046 0.000 2.531 141 G HA2 0.437 4.397 3.960 -0.000 0.000 0.313 141 G HA3 0.437 4.397 3.960 -0.000 0.000 0.313 141 G C 0.847 175.766 174.900 0.031 0.000 1.238 141 G CA -0.417 44.706 45.100 0.038 0.000 0.994 141 G HN 0.894 nan 8.290 nan 0.000 0.493 142 G N -1.747 107.068 108.800 0.026 0.000 2.679 142 G HA2 0.443 4.403 3.960 -0.000 0.000 0.212 142 G HA3 0.443 4.403 3.960 -0.000 0.000 0.212 142 G C 0.673 175.609 174.900 0.059 0.000 1.137 142 G CA 1.008 46.133 45.100 0.041 0.000 0.787 142 G HN 1.238 nan 8.290 nan 0.000 0.534 143 G N -1.400 107.411 108.800 0.017 0.000 2.451 143 G HA2 0.485 4.445 3.960 -0.000 0.000 0.292 143 G HA3 0.485 4.445 3.960 -0.000 0.000 0.292 143 G C -3.449 171.424 174.900 -0.044 0.000 1.427 143 G CA -0.975 44.148 45.100 0.039 0.000 0.792 143 G HN -0.107 nan 8.290 nan 0.000 0.498 144 P HA 0.337 nan 4.420 nan 0.000 0.267 144 P C 0.994 178.254 177.300 -0.066 0.000 1.205 144 P CA 1.920 64.978 63.100 -0.070 0.000 0.765 144 P CB 1.057 32.747 31.700 -0.017 0.000 0.828 145 G N 1.761 110.501 108.800 -0.100 0.000 2.176 145 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 145 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 145 G C 0.063 174.842 174.900 -0.201 0.000 0.979 145 G CA -0.289 44.733 45.100 -0.130 0.000 0.641 145 G HN 0.564 nan 8.290 nan 0.000 0.530 146 Q N -0.589 119.114 119.800 -0.161 0.000 2.227 146 Q HA 0.568 4.908 4.340 -0.000 0.000 0.245 146 Q C -0.124 175.783 176.000 -0.156 0.000 0.926 146 Q CA -0.815 54.878 55.803 -0.184 0.000 0.895 146 Q CB 1.019 29.713 28.738 -0.072 0.000 1.230 146 Q HN 0.445 nan 8.270 nan 0.000 0.450 147 Y N 2.146 122.447 120.300 0.001 0.000 2.578 147 Y HA 0.029 4.579 4.550 -0.000 0.000 0.339 147 Y C -1.578 174.326 175.900 0.007 0.000 1.231 147 Y CA -1.501 56.605 58.100 0.010 0.000 1.461 147 Y CB 0.086 38.585 38.460 0.064 0.000 1.323 147 Y HN 0.419 nan 8.280 nan 0.000 0.590 148 P HA -0.030 nan 4.420 nan 0.000 0.269 148 P C -0.989 176.460 177.300 0.249 0.000 1.209 148 P CA 0.548 63.624 63.100 -0.040 0.000 0.776 148 P CB 0.996 32.355 31.700 -0.568 0.000 0.876 149 H N 2.233 121.410 119.070 0.179 0.000 2.974 149 H HA 0.198 4.754 4.556 -0.000 0.000 0.366 149 H C 0.712 176.235 175.328 0.325 0.000 1.155 149 H CA -0.600 55.632 56.048 0.306 0.000 1.186 149 H CB 1.561 31.415 29.762 0.153 0.000 1.799 149 H HN 0.212 nan 8.280 nan 0.000 0.541 150 L N 2.744 124.212 121.223 0.409 0.000 2.131 150 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 150 L C 2.456 179.568 176.870 0.404 0.000 1.092 150 L CA 1.524 56.578 54.840 0.357 0.000 0.759 150 L CB -0.417 41.745 42.059 0.172 0.000 0.903 150 L HN 0.676 nan 8.230 nan 0.000 0.435 151 A N 0.748 123.962 122.820 0.656 0.000 1.855 151 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 151 A C -0.177 177.548 177.584 0.236 0.000 1.191 151 A CA 1.418 53.825 52.037 0.616 0.000 0.613 151 A CB -1.757 17.740 19.000 0.827 0.000 0.829 151 A HN 0.280 nan 8.150 nan 0.000 0.442 152 P HA -0.055 nan 4.420 nan 0.000 0.223 152 P C 1.151 178.335 177.300 -0.194 0.000 1.151 152 P CA 1.396 64.395 63.100 -0.169 0.000 0.787 152 P CB -0.268 31.439 31.700 0.011 0.000 0.788 153 T N -0.813 113.764 114.554 0.037 0.000 2.777 153 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 153 T C 1.695 176.314 174.700 -0.133 0.000 1.040 153 T CA 1.085 63.240 62.100 0.091 0.000 1.141 153 T CB -1.017 68.014 68.868 0.273 0.000 0.868 153 T HN 0.093 nan 8.240 nan 0.000 0.444 154 Y N 2.262 122.410 120.300 -0.252 0.000 2.145 154 Y HA -0.038 4.512 4.550 -0.000 0.000 0.286 154 Y C 2.510 178.039 175.900 -0.618 0.000 1.145 154 Y CA 1.102 58.984 58.100 -0.362 0.000 1.148 154 Y CB -0.751 37.542 38.460 -0.280 0.000 0.981 154 Y HN 0.154 nan 8.280 nan 0.000 0.507 155 A N 0.931 123.179 122.820 -0.954 0.000 1.902 155 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 155 A C 2.441 179.535 177.584 -0.815 0.000 1.181 155 A CA 2.075 53.382 52.037 -1.218 0.000 0.623 155 A CB -1.592 16.485 19.000 -1.538 0.000 0.818 155 A HN 0.682 nan 8.150 nan 0.000 0.443 156 A N -0.598 121.775 122.820 -0.746 0.000 1.877 156 A HA -0.013 4.306 4.320 -0.000 0.000 0.216 156 A C 2.246 179.396 177.584 -0.724 0.000 1.186 156 A CA 1.849 53.398 52.037 -0.813 0.000 0.620 156 A CB -0.989 17.170 19.000 -1.402 0.000 0.822 156 A HN 0.401 nan 8.150 nan 0.000 0.443 157 V N 0.782 120.297 119.914 -0.665 0.000 2.295 157 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 157 V C 2.363 178.230 176.094 -0.379 0.000 1.049 157 V CA 2.235 64.277 62.300 -0.430 0.000 1.024 157 V CB -1.045 30.588 31.823 -0.318 0.000 0.648 157 V HN 0.544 nan 8.190 nan 0.000 0.447 158 N N 0.411 118.780 118.700 -0.552 0.000 2.120 158 N HA -0.126 4.613 4.740 -0.000 0.000 0.188 158 N C 1.851 177.242 175.510 -0.200 0.000 1.024 158 N CA 1.693 54.470 53.050 -0.456 0.000 0.852 158 N CB -0.566 37.406 38.487 -0.858 0.000 1.003 158 N HN 0.482 nan 8.380 nan 0.000 0.424 159 A N 0.830 123.529 122.820 -0.203 0.000 1.877 159 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 159 A C 2.324 179.843 177.584 -0.109 0.000 1.186 159 A CA 1.014 53.000 52.037 -0.085 0.000 0.620 159 A CB -0.804 18.125 19.000 -0.119 0.000 0.822 159 A HN 0.262 nan 8.150 nan 0.000 0.443 160 L N -0.897 120.232 121.223 -0.156 0.000 2.131 160 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 160 L C 2.624 179.448 176.870 -0.077 0.000 1.092 160 L CA 1.118 55.890 54.840 -0.113 0.000 0.759 160 L CB -0.640 41.369 42.059 -0.083 0.000 0.903 160 L HN 0.491 nan 8.230 nan 0.000 0.435 161 C N -0.304 118.986 119.300 -0.016 0.000 2.450 161 C HA -0.064 4.395 4.460 -0.000 0.000 0.279 161 C C 2.708 177.700 174.990 0.004 0.000 1.335 161 C CA 0.185 59.248 59.018 0.076 0.000 1.749 161 C CB -0.510 27.260 27.740 0.051 0.000 1.963 161 C HN 0.427 nan 8.230 nan 0.000 0.501 162 I N 0.692 121.252 120.570 -0.016 0.000 2.286 162 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 162 I C 2.243 178.331 176.117 -0.049 0.000 1.115 162 I CA 1.654 62.955 61.300 0.002 0.000 1.392 162 I CB -0.290 37.732 38.000 0.037 0.000 1.065 162 I HN 0.315 nan 8.210 nan 0.000 0.418 163 I N 0.426 120.938 120.570 -0.096 0.000 2.202 163 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 163 I C 1.920 177.905 176.117 -0.220 0.000 1.091 163 I CA 1.304 62.519 61.300 -0.141 0.000 1.368 163 I CB -0.734 37.174 38.000 -0.152 0.000 1.058 163 I HN 0.440 nan 8.210 nan 0.000 0.410 164 G N 1.517 110.107 108.800 -0.350 0.000 2.187 164 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 164 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 164 G C 0.473 174.892 174.900 -0.801 0.000 1.000 164 G CA 0.638 45.384 45.100 -0.589 0.000 0.718 164 G HN 0.517 nan 8.290 nan 0.000 0.519 165 T N -3.006 111.152 114.554 -0.660 0.000 2.874 165 T HA 0.615 4.965 4.350 -0.000 0.000 0.281 165 T C 1.132 175.470 174.700 -0.602 0.000 0.994 165 T CA 0.449 62.263 62.100 -0.477 0.000 1.015 165 T CB 1.900 70.610 68.868 -0.264 0.000 1.028 165 T HN 0.138 nan 8.240 nan 0.000 0.523 166 E N 0.196 120.213 120.200 -0.305 0.000 2.118 166 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 166 E C 1.988 178.514 176.600 -0.124 0.000 0.992 166 E CA 1.773 58.076 56.400 -0.163 0.000 0.804 166 E CB -0.273 29.397 29.700 -0.050 0.000 0.741 166 E HN 0.855 nan 8.360 nan 0.000 0.458 167 E N -0.478 119.645 120.200 -0.129 0.000 2.058 167 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 167 E C 1.962 178.513 176.600 -0.082 0.000 0.997 167 E CA 1.163 57.517 56.400 -0.077 0.000 0.801 167 E CB -0.266 29.390 29.700 -0.074 0.000 0.746 167 E HN 0.339 nan 8.360 nan 0.000 0.450 168 A N 0.480 123.189 122.820 -0.185 0.000 1.865 168 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 168 A C 2.036 179.604 177.584 -0.027 0.000 1.191 168 A CA 1.680 53.617 52.037 -0.166 0.000 0.623 168 A CB -1.232 17.586 19.000 -0.304 0.000 0.826 168 A HN 0.508 nan 8.150 nan 0.000 0.444 169 Y N 0.008 120.270 120.300 -0.063 0.000 2.165 169 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 169 Y C 2.414 178.409 175.900 0.159 0.000 1.155 169 Y CA 0.842 58.958 58.100 0.027 0.000 1.164 169 Y CB -0.283 37.903 38.460 -0.455 0.000 0.978 169 Y HN 0.300 nan 8.280 nan 0.000 0.513 170 N N -0.068 118.766 118.700 0.223 0.000 2.443 170 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 170 N C 1.721 177.325 175.510 0.157 0.000 1.037 170 N CA 0.688 53.849 53.050 0.185 0.000 0.896 170 N CB -0.389 38.163 38.487 0.108 0.000 0.959 170 N HN 0.166 nan 8.380 nan 0.000 0.442 171 V N 1.332 121.335 119.914 0.149 0.000 2.407 171 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 171 V C 1.077 177.274 176.094 0.172 0.000 1.055 171 V CA 0.717 63.098 62.300 0.135 0.000 1.049 171 V CB -0.258 31.645 31.823 0.132 0.000 0.662 171 V HN 0.205 nan 8.190 nan 0.000 0.455 172 I N 2.263 122.976 120.570 0.238 0.000 2.581 172 I HA 0.000 4.170 4.170 -0.000 0.000 0.285 172 I C 0.569 176.753 176.117 0.111 0.000 1.129 172 I CA 0.260 61.690 61.300 0.217 0.000 1.397 172 I CB -0.195 37.925 38.000 0.201 0.000 1.399 172 I HN 0.174 nan 8.210 nan 0.000 0.537 173 N N 7.215 125.923 118.700 0.013 0.000 2.482 173 N HA 0.116 4.856 4.740 -0.000 0.000 0.242 173 N C 0.981 176.490 175.510 -0.002 0.000 1.100 173 N CA -0.009 53.038 53.050 -0.004 0.000 0.946 173 N CB 0.498 38.947 38.487 -0.063 0.000 1.227 173 N HN 0.454 nan 8.380 nan 0.000 0.508 174 R N 2.013 122.531 120.500 0.029 0.000 2.096 174 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 174 R C 0.937 177.252 176.300 0.025 0.000 1.127 174 R CA 1.457 57.564 56.100 0.012 0.000 0.968 174 R CB 0.180 30.493 30.300 0.021 0.000 0.861 174 R HN 0.486 nan 8.270 nan 0.000 0.440 175 E N 0.592 120.815 120.200 0.038 0.000 2.051 175 E HA -0.132 4.217 4.350 -0.000 0.000 0.192 175 E C 1.841 178.470 176.600 0.049 0.000 0.991 175 E CA 1.097 57.527 56.400 0.050 0.000 0.799 175 E CB 0.052 29.780 29.700 0.047 0.000 0.748 175 E HN 0.040 nan 8.360 nan 0.000 0.449 176 K N 0.267 120.682 120.400 0.024 0.000 2.097 176 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 176 K C 2.118 178.749 176.600 0.051 0.000 1.050 176 K CA 0.488 56.788 56.287 0.021 0.000 0.938 176 K CB -0.552 31.927 32.500 -0.034 0.000 0.718 176 K HN 0.130 nan 8.250 nan 0.000 0.442 177 L N 1.376 122.615 121.223 0.026 0.000 2.012 177 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 177 L C 2.150 179.086 176.870 0.110 0.000 1.073 177 L CA 1.436 56.316 54.840 0.067 0.000 0.748 177 L CB -0.809 41.267 42.059 0.028 0.000 0.891 177 L HN 0.083 nan 8.230 nan 0.000 0.431 178 L N -0.538 120.725 121.223 0.067 0.000 2.046 178 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 178 L C 2.504 179.459 176.870 0.142 0.000 1.077 178 L CA 1.788 56.659 54.840 0.051 0.000 0.747 178 L CB -0.842 41.258 42.059 0.068 0.000 0.896 178 L HN 0.452 nan 8.230 nan 0.000 0.432 179 Q N -1.852 118.054 119.800 0.176 0.000 2.061 179 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 179 Q C 2.187 178.307 176.000 0.199 0.000 0.984 179 Q CA 2.186 58.108 55.803 0.199 0.000 0.846 179 Q CB -0.473 28.340 28.738 0.126 0.000 0.902 179 Q HN 0.609 nan 8.270 nan 0.000 0.421 180 Y N 1.310 121.641 120.300 0.051 0.000 2.097 180 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 180 Y C 1.816 177.751 175.900 0.058 0.000 1.152 180 Y CA 1.537 59.661 58.100 0.039 0.000 1.136 180 Y CB -0.400 38.066 38.460 0.011 0.000 0.975 180 Y HN 0.043 nan 8.280 nan 0.000 0.498 181 L N -1.530 119.653 121.223 -0.066 0.000 2.042 181 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 181 L C 2.282 179.123 176.870 -0.048 0.000 1.076 181 L CA 1.776 56.535 54.840 -0.134 0.000 0.749 181 L CB -0.993 40.971 42.059 -0.158 0.000 0.893 181 L HN 0.262 nan 8.230 nan 0.000 0.432 182 Y N 0.389 120.658 120.300 -0.052 0.000 2.242 182 Y HA -0.261 4.289 4.550 -0.000 0.000 0.291 182 Y C 3.091 178.908 175.900 -0.139 0.000 1.137 182 Y CA 1.378 59.420 58.100 -0.096 0.000 1.181 182 Y CB -0.139 38.273 38.460 -0.081 0.000 0.989 182 Y HN 0.297 nan 8.280 nan 0.000 0.527 183 S N -0.218 115.499 115.700 0.028 0.000 2.469 183 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 183 S C 1.506 176.027 174.600 -0.130 0.000 0.998 183 S CA 1.073 59.243 58.200 -0.050 0.000 0.957 183 S CB -0.640 62.545 63.200 -0.026 0.000 0.764 183 S HN 0.497 nan 8.310 nan 0.000 0.514 184 L N -0.355 120.762 121.223 -0.176 0.000 2.513 184 L HA 0.341 4.681 4.340 -0.000 0.000 0.222 184 L C 0.945 177.676 176.870 -0.231 0.000 1.096 184 L CA -0.207 54.529 54.840 -0.173 0.000 0.857 184 L CB -0.199 41.761 42.059 -0.164 0.000 1.026 184 L HN 0.112 nan 8.230 nan 0.000 0.469 185 K N 1.734 121.905 120.400 -0.382 0.000 2.451 185 K HA 0.029 4.349 4.320 -0.000 0.000 0.280 185 K C -0.179 176.111 176.600 -0.516 0.000 1.020 185 K CA 0.480 56.260 56.287 -0.845 0.000 1.008 185 K CB 0.423 32.474 32.500 -0.748 0.000 0.917 185 K HN -0.079 nan 8.250 nan 0.000 0.478 186 Q N 4.505 123.971 119.800 -0.557 0.000 2.215 186 Q HA 0.282 4.622 4.340 -0.000 0.000 0.256 186 Q C -1.805 174.026 176.000 -0.281 0.000 0.972 186 Q CA -2.252 53.340 55.803 -0.352 0.000 0.889 186 Q CB 0.841 29.374 28.738 -0.341 0.000 1.281 186 Q HN 0.437 nan 8.270 nan 0.000 0.456 187 P HA -0.145 nan 4.420 nan 0.000 0.218 187 P C 0.363 177.606 177.300 -0.095 0.000 1.149 187 P CA 1.275 64.302 63.100 -0.122 0.000 0.817 187 P CB 0.253 31.902 31.700 -0.086 0.000 0.785 188 D N -1.894 118.446 120.400 -0.100 0.000 2.336 188 D HA 0.067 4.707 4.640 -0.000 0.000 0.229 188 D C 1.435 177.729 176.300 -0.010 0.000 1.061 188 D CA 0.671 54.661 54.000 -0.016 0.000 0.875 188 D CB -0.827 40.010 40.800 0.060 0.000 0.904 188 D HN 0.244 nan 8.370 nan 0.000 0.525 189 G N -0.059 108.659 108.800 -0.136 0.000 2.234 189 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.235 189 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.235 189 G C 0.521 175.259 174.900 -0.269 0.000 0.997 189 G CA 0.349 45.390 45.100 -0.098 0.000 0.623 189 G HN 0.816 nan 8.290 nan 0.000 0.514 190 S N -0.237 115.079 115.700 -0.641 0.000 2.661 190 S HA 0.806 5.276 4.470 -0.000 0.000 0.265 190 S C -0.281 173.982 174.600 -0.563 0.000 1.225 190 S CA -0.306 57.361 58.200 -0.890 0.000 0.986 190 S CB 1.377 63.601 63.200 -1.627 0.000 1.008 190 S HN 0.586 nan 8.310 nan 0.000 0.565 191 F N -0.569 119.109 119.950 -0.453 0.000 2.576 191 F HA 0.537 5.064 4.527 -0.000 0.000 0.313 191 F C -0.002 175.635 175.800 -0.270 0.000 1.078 191 F CA -1.043 56.784 58.000 -0.288 0.000 0.921 191 F CB 1.498 40.383 39.000 -0.190 0.000 1.232 191 F HN 0.460 nan 8.300 nan 0.000 0.459 192 L N 2.996 124.183 121.223 -0.060 0.000 2.466 192 L HA 0.188 4.528 4.340 -0.000 0.000 0.257 192 L C 1.222 178.041 176.870 -0.084 0.000 1.189 192 L CA -0.664 54.105 54.840 -0.118 0.000 0.813 192 L CB 0.510 42.464 42.059 -0.175 0.000 1.118 192 L HN 0.655 nan 8.230 nan 0.000 0.471 193 M N 0.059 119.589 119.600 -0.116 0.000 2.349 193 M HA 0.028 4.508 4.480 -0.000 0.000 0.266 193 M C 0.292 176.489 176.300 -0.172 0.000 1.076 193 M CA 1.147 56.364 55.300 -0.138 0.000 1.126 193 M CB -0.935 31.589 32.600 -0.127 0.000 1.392 193 M HN 0.784 nan 8.290 nan 0.000 0.440 194 H N -4.886 114.063 119.070 -0.203 0.000 2.950 194 H HA 0.449 5.005 4.556 -0.000 0.000 0.307 194 H C -0.958 174.351 175.328 -0.032 0.000 1.403 194 H CA -1.198 54.818 56.048 -0.054 0.000 1.145 194 H CB 0.517 30.274 29.762 -0.009 0.000 1.844 194 H HN -0.258 nan 8.280 nan 0.000 0.515 195 V N 1.817 121.761 119.914 0.051 0.000 2.509 195 V HA 0.244 4.364 4.120 -0.000 0.000 0.297 195 V C 1.570 177.563 176.094 -0.168 0.000 1.014 195 V CA 1.821 64.080 62.300 -0.068 0.000 1.127 195 V CB 0.085 31.896 31.823 -0.021 0.000 0.925 195 V HN 1.392 nan 8.190 nan 0.000 0.480 196 G N 3.605 112.281 108.800 -0.208 0.000 2.153 196 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.252 196 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.252 196 G C 0.460 175.171 174.900 -0.316 0.000 0.994 196 G CA 0.148 45.136 45.100 -0.187 0.000 0.698 196 G HN 1.333 nan 8.290 nan 0.000 0.521 197 G N -0.736 107.697 108.800 -0.612 0.000 2.613 197 G HA2 0.696 4.656 3.960 -0.000 0.000 0.303 197 G HA3 0.696 4.656 3.960 -0.000 0.000 0.303 197 G C 0.215 174.950 174.900 -0.276 0.000 1.312 197 G CA 0.166 44.842 45.100 -0.707 0.000 1.036 197 G HN 0.645 nan 8.290 nan 0.000 0.513 198 E N -0.941 119.186 120.200 -0.121 0.000 2.371 198 E HA 0.353 4.703 4.350 -0.000 0.000 0.257 198 E C -0.992 175.581 176.600 -0.045 0.000 1.134 198 E CA -0.385 55.993 56.400 -0.037 0.000 0.919 198 E CB 1.462 31.189 29.700 0.046 0.000 1.025 198 E HN 0.090 nan 8.360 nan 0.000 0.438 199 V N 1.890 121.785 119.914 -0.030 0.000 2.540 199 V HA 0.396 4.516 4.120 -0.000 0.000 0.302 199 V C -0.743 175.365 176.094 0.023 0.000 1.035 199 V CA -0.343 61.926 62.300 -0.051 0.000 0.873 199 V CB 1.284 33.036 31.823 -0.118 0.000 0.992 199 V HN 0.944 nan 8.190 nan 0.000 0.428 200 D N 2.417 122.848 120.400 0.052 0.000 2.692 200 D HA 0.153 4.793 4.640 -0.000 0.000 0.290 200 D C 0.233 176.674 176.300 0.235 0.000 1.281 200 D CA -0.610 53.476 54.000 0.143 0.000 0.804 200 D CB 1.682 42.470 40.800 -0.019 0.000 1.331 200 D HN 0.110 nan 8.370 nan 0.000 0.432 201 V N 0.493 120.589 119.914 0.303 0.000 2.828 201 V HA -0.203 3.917 4.120 -0.000 0.000 0.260 201 V C 2.047 178.325 176.094 0.306 0.000 1.101 201 V CA 1.893 64.424 62.300 0.386 0.000 1.123 201 V CB -0.683 31.284 31.823 0.240 0.000 0.704 201 V HN 0.554 nan 8.190 nan 0.000 0.493 202 R N 0.481 121.169 120.500 0.313 0.000 2.105 202 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 202 R C 2.569 178.999 176.300 0.217 0.000 1.135 202 R CA 1.724 58.000 56.100 0.293 0.000 0.967 202 R CB -0.542 29.932 30.300 0.290 0.000 0.861 202 R HN 0.779 nan 8.270 nan 0.000 0.442 203 S N 0.638 116.428 115.700 0.150 0.000 2.382 203 S HA -0.112 4.357 4.470 -0.000 0.000 0.228 203 S C 2.244 176.809 174.600 -0.059 0.000 1.027 203 S CA 0.959 59.188 58.200 0.048 0.000 0.991 203 S CB -0.230 62.994 63.200 0.039 0.000 0.823 203 S HN 0.369 nan 8.310 nan 0.000 0.469 204 A N 1.032 123.877 122.820 0.040 0.000 1.877 204 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 204 A C 2.117 179.683 177.584 -0.030 0.000 1.186 204 A CA 1.650 53.700 52.037 0.021 0.000 0.620 204 A CB -1.343 17.779 19.000 0.205 0.000 0.822 204 A HN 0.669 nan 8.150 nan 0.000 0.443 205 Y N 0.310 120.582 120.300 -0.046 0.000 2.145 205 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 205 Y C 2.603 178.476 175.900 -0.045 0.000 1.145 205 Y CA 1.367 59.430 58.100 -0.063 0.000 1.148 205 Y CB -0.971 37.479 38.460 -0.016 0.000 0.981 205 Y HN 0.381 nan 8.280 nan 0.000 0.507 206 C N 0.540 119.708 119.300 -0.219 0.000 2.413 206 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 206 C C 3.080 177.984 174.990 -0.143 0.000 1.248 206 C CA 1.287 60.177 59.018 -0.212 0.000 1.742 206 C CB -1.829 25.913 27.740 0.003 0.000 2.017 206 C HN 0.737 nan 8.230 nan 0.000 0.481 207 A N 0.476 123.178 122.820 -0.195 0.000 1.873 207 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 207 A C 2.378 179.951 177.584 -0.020 0.000 1.186 207 A CA 2.071 53.989 52.037 -0.199 0.000 0.616 207 A CB -0.983 17.639 19.000 -0.630 0.000 0.823 207 A HN 0.572 nan 8.150 nan 0.000 0.442 208 A N -0.859 121.854 122.820 -0.178 0.000 1.933 208 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 208 A C 2.470 179.982 177.584 -0.120 0.000 1.175 208 A CA 2.166 54.010 52.037 -0.321 0.000 0.628 208 A CB -0.942 17.723 19.000 -0.559 0.000 0.814 208 A HN 0.559 nan 8.150 nan 0.000 0.444 209 S N -0.291 115.312 115.700 -0.162 0.000 2.343 209 S HA -0.171 4.299 4.470 -0.000 0.000 0.219 209 S C 2.111 176.764 174.600 0.087 0.000 1.033 209 S CA 2.407 60.615 58.200 0.012 0.000 1.014 209 S CB -0.866 62.278 63.200 -0.093 0.000 0.915 209 S HN 1.017 nan 8.310 nan 0.000 0.435 210 V N 0.600 120.515 119.914 0.003 0.000 2.427 210 V HA 0.097 4.217 4.120 -0.000 0.000 0.248 210 V C 2.523 178.587 176.094 -0.049 0.000 1.051 210 V CA 1.735 64.008 62.300 -0.044 0.000 1.048 210 V CB -1.691 30.115 31.823 -0.028 0.000 0.666 210 V HN 0.525 nan 8.190 nan 0.000 0.456 211 A N 1.576 124.406 122.820 0.017 0.000 1.930 211 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 211 A C 2.573 180.179 177.584 0.037 0.000 1.175 211 A CA 2.401 54.464 52.037 0.043 0.000 0.627 211 A CB -0.914 18.195 19.000 0.183 0.000 0.815 211 A HN 0.910 nan 8.150 nan 0.000 0.443 212 S N 0.064 115.803 115.700 0.066 0.000 2.357 212 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 212 S C 1.910 176.511 174.600 0.001 0.000 1.031 212 S CA 1.233 59.476 58.200 0.072 0.000 0.982 212 S CB -0.784 62.501 63.200 0.142 0.000 0.853 212 S HN 0.411 nan 8.310 nan 0.000 0.458 213 L N 2.011 123.199 121.223 -0.059 0.000 2.042 213 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 213 L C 3.001 179.721 176.870 -0.250 0.000 1.076 213 L CA 1.722 56.454 54.840 -0.180 0.000 0.749 213 L CB -1.150 40.754 42.059 -0.259 0.000 0.893 213 L HN 0.617 nan 8.230 nan 0.000 0.432 214 T N -4.116 110.183 114.554 -0.426 0.000 3.129 214 T HA 0.024 4.374 4.350 -0.000 0.000 0.251 214 T C 0.848 175.338 174.700 -0.350 0.000 1.117 214 T CA 0.250 61.844 62.100 -0.844 0.000 1.034 214 T CB -0.357 68.039 68.868 -0.787 0.000 0.968 214 T HN 0.360 nan 8.240 nan 0.000 0.526 215 N N 1.157 119.780 118.700 -0.129 0.000 2.708 215 N HA -0.170 4.570 4.740 -0.000 0.000 0.255 215 N C 0.223 175.717 175.510 -0.026 0.000 1.046 215 N CA 0.893 53.928 53.050 -0.026 0.000 0.715 215 N CB -1.880 36.624 38.487 0.027 0.000 0.895 215 N HN 0.906 nan 8.380 nan 0.000 0.545 216 I N -2.670 117.884 120.570 -0.027 0.000 4.102 216 I HA 0.374 4.544 4.170 -0.000 0.000 0.325 216 I C 0.081 176.199 176.117 0.001 0.000 1.471 216 I CA -0.619 60.674 61.300 -0.013 0.000 1.133 216 I CB 0.152 38.131 38.000 -0.035 0.000 1.184 216 I HN 0.037 nan 8.210 nan 0.000 0.451 217 I N 4.180 124.772 120.570 0.037 0.000 2.494 217 I HA 0.070 4.240 4.170 -0.000 0.000 0.289 217 I C 1.013 177.161 176.117 0.051 0.000 1.106 217 I CA 0.207 61.547 61.300 0.066 0.000 1.369 217 I CB 0.522 38.631 38.000 0.181 0.000 1.410 217 I HN 0.353 nan 8.210 nan 0.000 0.523 218 T N 3.330 117.893 114.554 0.016 0.000 2.847 218 T HA 0.295 4.645 4.350 -0.000 0.000 0.279 218 T C -1.591 173.150 174.700 0.069 0.000 0.984 218 T CA -1.712 60.426 62.100 0.065 0.000 0.988 218 T CB 1.240 70.183 68.868 0.126 0.000 1.040 218 T HN 0.282 nan 8.240 nan 0.000 0.528 219 P HA -0.089 nan 4.420 nan 0.000 0.217 219 P C 0.961 178.309 177.300 0.080 0.000 1.148 219 P CA 1.202 64.349 63.100 0.078 0.000 0.828 219 P CB 0.032 31.772 31.700 0.067 0.000 0.783 220 D N -2.183 118.265 120.400 0.080 0.000 2.433 220 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 220 D C 1.685 177.996 176.300 0.019 0.000 1.114 220 D CA -0.182 53.861 54.000 0.072 0.000 0.837 220 D CB -0.808 40.043 40.800 0.084 0.000 0.984 220 D HN -0.008 nan 8.370 nan 0.000 0.505 221 L N 0.433 121.593 121.223 -0.104 0.000 2.021 221 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 221 L C 1.113 177.691 176.870 -0.486 0.000 1.074 221 L CA 1.778 56.331 54.840 -0.478 0.000 0.760 221 L CB -0.802 40.782 42.059 -0.791 0.000 0.889 221 L HN -0.021 nan 8.230 nan 0.000 0.433 222 F N -0.300 119.699 119.950 0.083 0.000 2.730 222 F HA 0.222 4.749 4.527 -0.000 0.000 0.295 222 F C 0.805 176.657 175.800 0.087 0.000 1.143 222 F CA -0.731 57.346 58.000 0.130 0.000 1.367 222 F CB -0.261 38.809 39.000 0.116 0.000 0.970 222 F HN -0.070 nan 8.300 nan 0.000 0.514 223 E N 0.885 121.164 120.200 0.132 0.000 2.415 223 E HA 0.082 4.432 4.350 -0.000 0.000 0.260 223 E C 1.280 177.935 176.600 0.091 0.000 1.016 223 E CA 0.912 57.369 56.400 0.095 0.000 0.924 223 E CB 0.739 30.463 29.700 0.041 0.000 0.961 223 E HN 0.627 nan 8.360 nan 0.000 0.459 224 G N 3.674 112.541 108.800 0.112 0.000 2.212 224 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.266 224 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.266 224 G C 1.265 176.278 174.900 0.188 0.000 0.978 224 G CA 0.824 45.995 45.100 0.119 0.000 0.632 224 G HN 0.536 nan 8.290 nan 0.000 0.537 225 T N 0.926 115.622 114.554 0.238 0.000 2.746 225 T HA 0.154 4.504 4.350 -0.000 0.000 0.267 225 T C 2.783 177.654 174.700 0.286 0.000 1.039 225 T CA 2.356 64.651 62.100 0.326 0.000 1.142 225 T CB -0.426 68.728 68.868 0.477 0.000 0.866 225 T HN 1.204 nan 8.240 nan 0.000 0.444 226 A N 1.553 124.487 122.820 0.189 0.000 1.933 226 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 226 A C 2.230 179.877 177.584 0.104 0.000 1.175 226 A CA 1.686 53.793 52.037 0.117 0.000 0.628 226 A CB -0.515 18.530 19.000 0.075 0.000 0.814 226 A HN 0.419 nan 8.150 nan 0.000 0.444 227 E N -1.445 118.827 120.200 0.121 0.000 2.072 227 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 227 E C 1.566 178.216 176.600 0.083 0.000 0.985 227 E CA 1.194 57.644 56.400 0.083 0.000 0.801 227 E CB -0.365 29.386 29.700 0.085 0.000 0.750 227 E HN 0.827 nan 8.360 nan 0.000 0.452 228 W N 0.958 122.266 121.300 0.015 0.000 2.355 228 W HA -0.128 4.532 4.660 -0.000 0.000 0.309 228 W C 1.721 178.236 176.519 -0.006 0.000 1.206 228 W CA 1.534 58.883 57.345 0.006 0.000 1.284 228 W CB -0.234 29.240 29.460 0.023 0.000 1.145 228 W HN -0.013 nan 8.180 nan 0.000 0.502 229 I N 0.724 121.367 120.570 0.122 0.000 2.208 229 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 229 I C 2.594 178.586 176.117 -0.209 0.000 1.097 229 I CA 1.541 62.805 61.300 -0.059 0.000 1.363 229 I CB -1.085 36.967 38.000 0.088 0.000 1.051 229 I HN 0.095 nan 8.210 nan 0.000 0.413 230 A N 0.714 123.457 122.820 -0.130 0.000 1.972 230 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 230 A C 2.344 179.808 177.584 -0.201 0.000 1.169 230 A CA 1.336 53.291 52.037 -0.136 0.000 0.635 230 A CB -0.544 18.412 19.000 -0.073 0.000 0.810 230 A HN 0.339 nan 8.150 nan 0.000 0.446 231 R N -1.013 119.321 120.500 -0.277 0.000 2.237 231 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 231 R C 1.712 177.789 176.300 -0.371 0.000 1.080 231 R CA 1.189 57.106 56.100 -0.305 0.000 0.995 231 R CB -0.590 29.501 30.300 -0.348 0.000 0.875 231 R HN 0.616 nan 8.270 nan 0.000 0.462 232 C N 0.453 119.469 119.300 -0.472 0.000 2.481 232 C HA 0.001 4.461 4.460 -0.000 0.000 0.275 232 C C 1.420 176.219 174.990 -0.317 0.000 1.419 232 C CA -0.328 58.425 59.018 -0.442 0.000 1.773 232 C CB -0.816 26.609 27.740 -0.525 0.000 1.862 232 C HN 0.449 nan 8.230 nan 0.000 0.530 233 Q N 2.647 122.283 119.800 -0.273 0.000 2.313 233 Q HA 0.156 4.496 4.340 -0.000 0.000 0.266 233 Q C 0.148 176.010 176.000 -0.230 0.000 0.989 233 Q CA 0.287 55.934 55.803 -0.261 0.000 0.890 233 Q CB 0.554 29.168 28.738 -0.206 0.000 1.200 233 Q HN 0.712 nan 8.270 nan 0.000 0.396 234 N N 3.434 121.962 118.700 -0.287 0.000 2.906 234 N HA 0.140 4.880 4.740 -0.000 0.000 0.327 234 N C 0.748 176.144 175.510 -0.190 0.000 1.344 234 N CA -0.613 52.313 53.050 -0.208 0.000 0.823 234 N CB -0.418 37.922 38.487 -0.245 0.000 1.351 234 N HN 0.862 nan 8.380 nan 0.000 0.604 235 W N -0.573 120.669 121.300 -0.097 0.000 2.387 235 W HA -0.032 4.628 4.660 -0.000 0.000 0.272 235 W C 0.322 176.813 176.519 -0.047 0.000 1.224 235 W CA 0.820 58.129 57.345 -0.060 0.000 1.210 235 W CB -0.878 28.560 29.460 -0.037 0.000 1.125 235 W HN 0.579 nan 8.180 nan 0.000 0.572 236 E N 0.168 119.891 120.200 -0.794 0.000 2.299 236 E HA 0.146 4.496 4.350 -0.000 0.000 0.193 236 E C 2.117 178.512 176.600 -0.341 0.000 0.998 236 E CA 0.841 56.833 56.400 -0.679 0.000 0.851 236 E CB -0.271 28.841 29.700 -0.981 0.000 0.795 236 E HN 0.413 nan 8.360 nan 0.000 0.492 237 G N 0.800 109.368 108.800 -0.387 0.000 2.284 237 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 237 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 237 G C 0.608 175.214 174.900 -0.490 0.000 1.009 237 G CA -0.242 44.706 45.100 -0.254 0.000 0.625 237 G HN 0.519 nan 8.290 nan 0.000 0.501 238 G N -0.318 107.794 108.800 -1.148 0.000 2.563 238 G HA2 0.615 4.575 3.960 -0.000 0.000 0.283 238 G HA3 0.615 4.575 3.960 -0.000 0.000 0.283 238 G C -0.182 174.194 174.900 -0.873 0.000 1.309 238 G CA -0.457 43.691 45.100 -1.588 0.000 1.022 238 G HN 0.696 nan 8.290 nan 0.000 0.501 239 I N 0.228 120.385 120.570 -0.689 0.000 2.433 239 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 239 I C 0.812 176.777 176.117 -0.253 0.000 1.001 239 I CA -0.712 60.360 61.300 -0.381 0.000 1.119 239 I CB 2.019 39.871 38.000 -0.246 0.000 1.289 239 I HN 0.580 nan 8.210 nan 0.000 0.438 240 G N 2.695 111.349 108.800 -0.244 0.000 2.511 240 G HA2 0.428 4.388 3.960 -0.000 0.000 0.316 240 G HA3 0.428 4.388 3.960 -0.000 0.000 0.316 240 G C 0.897 175.589 174.900 -0.347 0.000 1.210 240 G CA -0.168 44.824 45.100 -0.180 0.000 0.969 240 G HN 0.780 nan 8.290 nan 0.000 0.492 241 G N -1.356 107.049 108.800 -0.659 0.000 2.418 241 G HA2 0.207 4.167 3.960 -0.000 0.000 0.217 241 G HA3 0.207 4.167 3.960 -0.000 0.000 0.217 241 G C 0.656 175.272 174.900 -0.473 0.000 1.158 241 G CA 1.904 46.260 45.100 -1.240 0.000 0.771 241 G HN 1.479 nan 8.290 nan 0.000 0.545 242 V N -4.675 115.058 119.914 -0.302 0.000 3.114 242 V HA 0.653 4.773 4.120 -0.000 0.000 0.308 242 V C -3.011 172.935 176.094 -0.246 0.000 1.168 242 V CA -3.065 59.133 62.300 -0.170 0.000 1.015 242 V CB 1.777 33.611 31.823 0.018 0.000 1.050 242 V HN -0.134 nan 8.190 nan 0.000 0.433 243 P HA 0.315 nan 4.420 nan 0.000 0.261 243 P C 0.999 178.223 177.300 -0.127 0.000 1.173 243 P CA 2.270 65.219 63.100 -0.252 0.000 0.760 243 P CB 0.556 32.109 31.700 -0.246 0.000 0.783 244 G N 1.982 110.723 108.800 -0.098 0.000 2.258 244 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.233 244 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.233 244 G C 0.233 175.132 174.900 -0.001 0.000 1.006 244 G CA -0.416 44.669 45.100 -0.026 0.000 0.620 244 G HN 0.400 nan 8.290 nan 0.000 0.511 245 M N 1.367 120.936 119.600 -0.052 0.000 2.247 245 M HA 0.404 4.884 4.480 -0.000 0.000 0.326 245 M C 0.769 177.046 176.300 -0.037 0.000 1.134 245 M CA -0.852 54.430 55.300 -0.031 0.000 1.136 245 M CB 0.858 33.418 32.600 -0.066 0.000 1.454 245 M HN 0.392 nan 8.290 nan 0.000 0.467 246 E N 1.111 121.322 120.200 0.018 0.000 2.481 246 E HA 0.203 4.553 4.350 -0.000 0.000 0.263 246 E C -0.684 175.883 176.600 -0.055 0.000 0.992 246 E CA -0.296 56.105 56.400 0.001 0.000 0.938 246 E CB 0.692 30.446 29.700 0.090 0.000 0.933 246 E HN 0.688 nan 8.360 nan 0.000 0.453 247 A N 5.034 127.730 122.820 -0.207 0.000 2.450 247 A HA 0.128 4.448 4.320 -0.000 0.000 0.255 247 A C -0.513 177.084 177.584 0.021 0.000 1.096 247 A CA 0.015 51.850 52.037 -0.336 0.000 0.778 247 A CB 0.390 18.842 19.000 -0.914 0.000 1.031 247 A HN 0.712 nan 8.150 nan 0.000 0.494 248 H N 1.408 120.468 119.070 -0.017 0.000 2.894 248 H HA 0.377 4.933 4.556 -0.000 0.000 0.367 248 H C 1.197 176.626 175.328 0.168 0.000 1.144 248 H CA 0.171 56.301 56.048 0.136 0.000 1.180 248 H CB 1.931 31.759 29.762 0.109 0.000 1.758 248 H HN 0.687 nan 8.280 nan 0.000 0.541 249 G N 2.088 110.851 108.800 -0.062 0.000 2.440 249 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 249 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 249 G C 1.506 176.512 174.900 0.177 0.000 1.154 249 G CA 0.850 46.010 45.100 0.101 0.000 0.767 249 G HN 0.665 nan 8.290 nan 0.000 0.552 250 G N -0.114 108.770 108.800 0.140 0.000 2.421 250 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.216 250 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.216 250 G C 1.618 176.389 174.900 -0.216 0.000 1.171 250 G CA 0.865 45.752 45.100 -0.355 0.000 0.775 250 G HN 0.531 nan 8.290 nan 0.000 0.543 251 Y N 0.746 121.060 120.300 0.024 0.000 2.314 251 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 251 Y C 3.325 179.203 175.900 -0.036 0.000 1.129 251 Y CA 1.069 59.158 58.100 -0.020 0.000 1.201 251 Y CB -0.079 38.364 38.460 -0.029 0.000 0.999 251 Y HN 0.122 nan 8.280 nan 0.000 0.541 252 T N 0.431 115.061 114.554 0.127 0.000 2.777 252 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 252 T C 1.534 176.236 174.700 0.004 0.000 1.040 252 T CA 1.304 63.411 62.100 0.012 0.000 1.141 252 T CB -0.614 68.256 68.868 0.002 0.000 0.868 252 T HN 0.315 nan 8.240 nan 0.000 0.444 253 F N 1.534 121.481 119.950 -0.006 0.000 2.095 253 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 253 F C 2.474 178.172 175.800 -0.170 0.000 1.104 253 F CA 0.772 58.743 58.000 -0.048 0.000 1.232 253 F CB -0.820 38.251 39.000 0.119 0.000 0.987 253 F HN 0.149 nan 8.300 nan 0.000 0.475 254 C N 0.801 120.008 119.300 -0.155 0.000 2.398 254 C HA -0.152 4.308 4.460 -0.000 0.000 0.276 254 C C 3.105 177.986 174.990 -0.182 0.000 1.222 254 C CA 1.388 60.249 59.018 -0.262 0.000 1.746 254 C CB -1.942 25.842 27.740 0.073 0.000 2.039 254 C HN 0.749 nan 8.230 nan 0.000 0.470 255 G N -0.074 108.670 108.800 -0.093 0.000 2.433 255 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 255 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 255 G C 1.488 176.304 174.900 -0.140 0.000 1.186 255 G CA 1.026 46.083 45.100 -0.072 0.000 0.779 255 G HN 0.433 nan 8.290 nan 0.000 0.543 256 L N 1.493 122.589 121.223 -0.213 0.000 1.994 256 L HA 0.150 4.490 4.340 -0.000 0.000 0.208 256 L C 3.124 179.828 176.870 -0.277 0.000 1.071 256 L CA 2.246 56.954 54.840 -0.219 0.000 0.745 256 L CB -0.959 40.974 42.059 -0.209 0.000 0.892 256 L HN 0.256 nan 8.230 nan 0.000 0.431 257 A N -0.495 122.020 122.820 -0.508 0.000 1.908 257 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 257 A C 2.449 179.944 177.584 -0.149 0.000 1.181 257 A CA 2.145 53.909 52.037 -0.456 0.000 0.627 257 A CB -1.240 17.204 19.000 -0.927 0.000 0.818 257 A HN 0.601 nan 8.150 nan 0.000 0.445 258 A N -0.400 122.384 122.820 -0.060 0.000 1.902 258 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 258 A C 2.182 179.707 177.584 -0.098 0.000 1.181 258 A CA 1.490 53.516 52.037 -0.017 0.000 0.623 258 A CB -0.596 18.418 19.000 0.024 0.000 0.818 258 A HN 0.478 nan 8.150 nan 0.000 0.443 259 L N -0.549 120.623 121.223 -0.084 0.000 2.083 259 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 259 L C 2.530 179.363 176.870 -0.063 0.000 1.083 259 L CA 0.992 55.791 54.840 -0.068 0.000 0.752 259 L CB -0.508 41.517 42.059 -0.056 0.000 0.899 259 L HN 0.254 nan 8.230 nan 0.000 0.433 260 V N 0.228 120.098 119.914 -0.073 0.000 2.343 260 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 260 V C 2.308 178.385 176.094 -0.029 0.000 1.051 260 V CA 1.823 64.097 62.300 -0.043 0.000 1.036 260 V CB -0.289 31.503 31.823 -0.052 0.000 0.654 260 V HN 0.323 nan 8.190 nan 0.000 0.451 261 I N -0.406 120.126 120.570 -0.062 0.000 2.226 261 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 261 I C 2.031 178.113 176.117 -0.058 0.000 1.100 261 I CA 1.610 62.877 61.300 -0.055 0.000 1.374 261 I CB -0.232 37.701 38.000 -0.112 0.000 1.057 261 I HN 0.256 nan 8.210 nan 0.000 0.413 262 L N 0.442 121.605 121.223 -0.100 0.000 2.599 262 L HA -0.000 4.340 4.340 -0.000 0.000 0.230 262 L C 0.539 177.401 176.870 -0.013 0.000 1.141 262 L CA 0.295 55.089 54.840 -0.077 0.000 0.877 262 L CB -0.402 41.589 42.059 -0.114 0.000 1.009 262 L HN 0.238 nan 8.230 nan 0.000 0.447 263 K N 0.177 120.573 120.400 -0.006 0.000 3.071 263 K HA -0.179 4.141 4.320 -0.000 0.000 0.265 263 K C 0.067 176.674 176.600 0.012 0.000 1.060 263 K CA 0.430 56.725 56.287 0.014 0.000 0.767 263 K CB -1.070 31.448 32.500 0.029 0.000 1.241 263 K HN 0.222 nan 8.250 nan 0.000 0.486 264 K N 0.187 120.587 120.400 0.000 0.000 2.676 264 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 264 K C 0.307 176.904 176.600 -0.005 0.000 1.084 264 K CA -0.013 56.277 56.287 0.004 0.000 1.057 264 K CB 0.850 33.356 32.500 0.011 0.000 0.791 264 K HN 0.200 nan 8.250 nan 0.000 0.484 265 E N 0.856 121.051 120.200 -0.009 0.000 2.171 265 E HA -0.137 4.212 4.350 -0.000 0.000 0.197 265 E C 1.518 178.112 176.600 -0.011 0.000 0.997 265 E CA 1.094 57.484 56.400 -0.017 0.000 0.810 265 E CB -0.083 29.611 29.700 -0.010 0.000 0.738 265 E HN 0.187 nan 8.360 nan 0.000 0.467 266 R N 0.475 120.974 120.500 -0.001 0.000 2.241 266 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 266 R C 1.938 178.235 176.300 -0.004 0.000 1.101 266 R CA 1.070 57.170 56.100 0.000 0.000 0.995 266 R CB -0.226 30.078 30.300 0.006 0.000 0.870 266 R HN 0.098 nan 8.270 nan 0.000 0.463 267 S N 0.820 116.516 115.700 -0.007 0.000 2.469 267 S HA -0.011 4.459 4.470 -0.000 0.000 0.238 267 S C 0.965 175.550 174.600 -0.026 0.000 0.998 267 S CA 0.663 58.856 58.200 -0.012 0.000 0.957 267 S CB -0.037 63.158 63.200 -0.008 0.000 0.764 267 S HN 0.169 nan 8.310 nan 0.000 0.514 268 L N 1.808 123.012 121.223 -0.031 0.000 2.375 268 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 268 L C 0.540 177.392 176.870 -0.029 0.000 1.058 268 L CA -0.779 54.035 54.840 -0.044 0.000 0.803 268 L CB 0.320 42.346 42.059 -0.055 0.000 1.212 268 L HN 0.002 nan 8.230 nan 0.000 0.451 269 N N 1.861 120.540 118.700 -0.034 0.000 2.663 269 N HA 0.132 4.872 4.740 -0.000 0.000 0.250 269 N C 0.696 176.201 175.510 -0.009 0.000 1.129 269 N CA 0.075 53.115 53.050 -0.017 0.000 0.995 269 N CB 0.468 38.944 38.487 -0.018 0.000 1.324 269 N HN 0.585 nan 8.380 nan 0.000 0.512 270 L N 2.054 123.278 121.223 0.002 0.000 2.191 270 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 270 L C 2.350 179.243 176.870 0.037 0.000 1.103 270 L CA 1.048 55.898 54.840 0.017 0.000 0.769 270 L CB -0.216 41.856 42.059 0.021 0.000 0.908 270 L HN 0.521 nan 8.230 nan 0.000 0.438 271 K N 0.694 121.115 120.400 0.035 0.000 2.001 271 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 271 K C 2.336 178.972 176.600 0.061 0.000 1.048 271 K CA 1.861 58.177 56.287 0.049 0.000 0.932 271 K CB -0.082 32.443 32.500 0.041 0.000 0.715 271 K HN 0.313 nan 8.250 nan 0.000 0.437 272 S N 0.832 116.560 115.700 0.047 0.000 2.428 272 S HA -0.120 4.350 4.470 -0.000 0.000 0.230 272 S C 1.952 176.605 174.600 0.087 0.000 1.014 272 S CA 0.765 59.001 58.200 0.060 0.000 0.957 272 S CB -0.332 62.886 63.200 0.030 0.000 0.784 272 S HN 0.338 nan 8.310 nan 0.000 0.499 273 L N 1.280 122.539 121.223 0.060 0.000 2.027 273 L HA 0.186 4.526 4.340 -0.000 0.000 0.206 273 L C 2.220 179.206 176.870 0.195 0.000 1.074 273 L CA 1.527 56.424 54.840 0.094 0.000 0.745 273 L CB -1.184 40.891 42.059 0.027 0.000 0.898 273 L HN 0.410 nan 8.230 nan 0.000 0.433 274 L N -0.276 121.030 121.223 0.138 0.000 2.042 274 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 274 L C 2.594 179.555 176.870 0.152 0.000 1.076 274 L CA 2.248 57.174 54.840 0.144 0.000 0.749 274 L CB -0.821 41.309 42.059 0.119 0.000 0.893 274 L HN 0.574 nan 8.230 nan 0.000 0.432 275 Q N -1.811 118.075 119.800 0.143 0.000 2.124 275 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 275 Q C 2.066 178.152 176.000 0.144 0.000 0.977 275 Q CA 2.156 58.035 55.803 0.127 0.000 0.850 275 Q CB -0.472 28.333 28.738 0.112 0.000 0.901 275 Q HN 0.685 nan 8.270 nan 0.000 0.429 276 W N -0.539 120.759 121.300 -0.003 0.000 2.408 276 W HA -0.146 4.514 4.660 -0.000 0.000 0.311 276 W C 1.955 178.471 176.519 -0.005 0.000 1.190 276 W CA 1.367 58.694 57.345 -0.030 0.000 1.321 276 W CB -0.572 28.841 29.460 -0.080 0.000 1.143 276 W HN 0.032 nan 8.180 nan 0.000 0.501 277 V N 1.494 121.451 119.914 0.072 0.000 2.343 277 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 277 V C 2.486 178.533 176.094 -0.079 0.000 1.051 277 V CA 3.341 65.522 62.300 -0.198 0.000 1.036 277 V CB -1.185 30.679 31.823 0.068 0.000 0.654 277 V HN 0.478 nan 8.190 nan 0.000 0.451 278 T N -2.571 112.009 114.554 0.043 0.000 2.833 278 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 278 T C 1.825 176.508 174.700 -0.027 0.000 1.054 278 T CA 1.846 64.004 62.100 0.096 0.000 1.135 278 T CB -0.677 68.263 68.868 0.120 0.000 0.869 278 T HN 0.494 nan 8.240 nan 0.000 0.466 279 S N 1.040 116.670 115.700 -0.117 0.000 2.515 279 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 279 S C 1.951 176.392 174.600 -0.265 0.000 0.987 279 S CA 0.072 58.172 58.200 -0.166 0.000 0.936 279 S CB -0.187 62.920 63.200 -0.154 0.000 0.766 279 S HN 0.424 nan 8.310 nan 0.000 0.528 280 R N 1.296 121.596 120.500 -0.334 0.000 2.275 280 R HA 0.144 4.484 4.340 -0.000 0.000 0.199 280 R C 0.914 177.025 176.300 -0.316 0.000 0.989 280 R CA 0.125 56.030 56.100 -0.326 0.000 1.016 280 R CB -0.349 29.703 30.300 -0.413 0.000 0.918 280 R HN 0.510 nan 8.270 nan 0.000 0.473 281 Q N 1.204 120.654 119.800 -0.584 0.000 2.296 281 Q HA 0.114 4.454 4.340 -0.000 0.000 0.262 281 Q C -0.497 175.230 176.000 -0.456 0.000 0.981 281 Q CA -0.187 55.005 55.803 -1.019 0.000 0.905 281 Q CB 0.698 28.757 28.738 -1.132 0.000 1.186 281 Q HN -0.137 nan 8.270 nan 0.000 0.399 282 M N 4.464 123.844 119.600 -0.367 0.000 2.184 282 M HA 0.073 4.553 4.480 -0.000 0.000 0.351 282 M C 1.166 177.410 176.300 -0.094 0.000 1.395 282 M CA 0.477 55.673 55.300 -0.174 0.000 1.117 282 M CB 0.454 32.974 32.600 -0.133 0.000 1.708 282 M HN 0.708 nan 8.290 nan 0.000 0.468 283 R N 1.754 122.237 120.500 -0.030 0.000 2.105 283 R HA -0.175 4.164 4.340 -0.000 0.000 0.239 283 R C 1.525 177.872 176.300 0.079 0.000 1.135 283 R CA 1.642 57.755 56.100 0.021 0.000 0.967 283 R CB -0.493 29.816 30.300 0.015 0.000 0.861 283 R HN 0.550 nan 8.270 nan 0.000 0.442 284 F N 1.958 121.897 119.950 -0.018 0.000 2.164 284 F HA 0.109 4.636 4.527 -0.000 0.000 0.287 284 F C 1.808 177.812 175.800 0.340 0.000 1.086 284 F CA 1.252 59.283 58.000 0.052 0.000 1.249 284 F CB 0.022 39.037 39.000 0.025 0.000 1.059 284 F HN -0.091 nan 8.300 nan 0.000 0.490 285 E N 0.159 120.446 120.200 0.144 0.000 2.110 285 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 285 E C 1.892 178.531 176.600 0.065 0.000 0.988 285 E CA 1.362 57.802 56.400 0.065 0.000 0.804 285 E CB -0.637 29.020 29.700 -0.072 0.000 0.745 285 E HN 0.629 nan 8.360 nan 0.000 0.458 286 G N -0.224 108.554 108.800 -0.036 0.000 2.268 286 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.240 286 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.240 286 G C 0.654 175.466 174.900 -0.148 0.000 1.010 286 G CA 0.026 45.106 45.100 -0.034 0.000 0.618 286 G HN 0.644 nan 8.290 nan 0.000 0.516 287 G N -0.615 107.927 108.800 -0.429 0.000 2.543 287 G HA2 0.599 4.559 3.960 -0.000 0.000 0.290 287 G HA3 0.599 4.559 3.960 -0.000 0.000 0.290 287 G C -0.489 174.223 174.900 -0.313 0.000 1.310 287 G CA -0.689 44.173 45.100 -0.396 0.000 1.025 287 G HN 0.287 nan 8.290 nan 0.000 0.502 288 F N -0.460 119.419 119.950 -0.118 0.000 2.470 288 F HA 0.397 4.924 4.527 -0.000 0.000 0.329 288 F C 0.811 176.596 175.800 -0.024 0.000 1.072 288 F CA -0.622 57.324 58.000 -0.089 0.000 0.989 288 F CB 2.057 41.012 39.000 -0.075 0.000 1.193 288 F HN 0.523 nan 8.300 nan 0.000 0.481 289 Q N 0.665 120.489 119.800 0.041 0.000 2.193 289 Q HA 0.577 4.917 4.340 -0.000 0.000 0.246 289 Q C 0.515 176.250 176.000 -0.442 0.000 0.959 289 Q CA -0.555 55.215 55.803 -0.054 0.000 0.904 289 Q CB 1.619 30.296 28.738 -0.102 0.000 1.238 289 Q HN 0.813 nan 8.270 nan 0.000 0.469 290 G N 0.852 109.190 108.800 -0.770 0.000 2.494 290 G HA2 0.026 3.986 3.960 -0.000 0.000 0.216 290 G HA3 0.026 3.986 3.960 -0.000 0.000 0.216 290 G C 0.164 174.560 174.900 -0.840 0.000 1.140 290 G CA 0.096 44.309 45.100 -1.478 0.000 0.801 290 G HN 0.673 nan 8.290 nan 0.000 0.536 291 R N -2.039 118.224 120.500 -0.395 0.000 2.692 291 R HA 0.434 4.774 4.340 -0.000 0.000 0.269 291 R C -1.204 175.051 176.300 -0.075 0.000 1.030 291 R CA -0.939 55.090 56.100 -0.118 0.000 0.882 291 R CB 0.174 30.485 30.300 0.019 0.000 1.250 291 R HN -0.020 nan 8.270 nan 0.000 0.465 292 C N 2.347 121.646 119.300 -0.002 0.000 2.596 292 C HA 0.071 4.531 4.460 -0.000 0.000 0.414 292 C C 0.762 175.765 174.990 0.021 0.000 1.396 292 C CA 1.014 60.026 59.018 -0.010 0.000 1.698 292 C CB -1.285 26.480 27.740 0.042 0.000 2.572 292 C HN 0.997 nan 8.230 nan 0.000 0.604 293 N N 2.255 120.958 118.700 0.005 0.000 2.850 293 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 293 N C -0.318 175.209 175.510 0.028 0.000 1.060 293 N CA 1.356 54.419 53.050 0.023 0.000 0.825 293 N CB -0.711 37.804 38.487 0.045 0.000 1.132 293 N HN 0.800 nan 8.380 nan 0.000 0.564 294 K N -0.037 120.374 120.400 0.018 0.000 2.380 294 K HA 0.572 4.892 4.320 -0.000 0.000 0.243 294 K C 0.591 177.213 176.600 0.036 0.000 1.071 294 K CA -0.758 55.553 56.287 0.039 0.000 0.942 294 K CB 0.994 33.529 32.500 0.059 0.000 1.324 294 K HN -0.071 nan 8.250 nan 0.000 0.517 295 L N 0.906 122.172 121.223 0.071 0.000 2.399 295 L HA 0.303 4.643 4.340 -0.000 0.000 0.265 295 L C 0.462 177.397 176.870 0.108 0.000 1.089 295 L CA -0.884 54.003 54.840 0.078 0.000 0.802 295 L CB 1.203 43.315 42.059 0.088 0.000 1.180 295 L HN 0.250 nan 8.230 nan 0.000 0.454 296 V N 1.352 121.306 119.914 0.068 0.000 2.999 296 V HA 0.094 4.214 4.120 -0.000 0.000 0.307 296 V C -0.504 175.692 176.094 0.169 0.000 1.084 296 V CA 0.578 62.906 62.300 0.048 0.000 1.155 296 V CB 1.267 33.005 31.823 -0.141 0.000 0.975 296 V HN 0.883 nan 8.190 nan 0.000 0.490 297 D N 2.964 123.519 120.400 0.258 0.000 2.937 297 D HA 0.340 4.980 4.640 -0.000 0.000 0.215 297 D C 0.687 177.150 176.300 0.272 0.000 1.274 297 D CA 0.185 54.340 54.000 0.257 0.000 0.869 297 D CB 1.742 42.658 40.800 0.194 0.000 1.675 297 D HN 0.587 nan 8.370 nan 0.000 0.538 298 G N 1.589 110.581 108.800 0.319 0.000 2.450 298 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 298 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 298 G C 1.726 176.721 174.900 0.159 0.000 1.130 298 G CA 1.343 46.626 45.100 0.305 0.000 0.760 298 G HN 0.746 nan 8.290 nan 0.000 0.557 299 C N -1.414 117.926 119.300 0.066 0.000 2.432 299 C HA 0.135 4.595 4.460 -0.000 0.000 0.282 299 C C 2.308 177.207 174.990 -0.151 0.000 1.388 299 C CA 0.107 59.016 59.018 -0.183 0.000 1.777 299 C CB -1.647 25.839 27.740 -0.423 0.000 1.882 299 C HN 0.470 nan 8.230 nan 0.000 0.520 300 Y N 1.978 122.389 120.300 0.185 0.000 2.616 300 Y HA -0.034 4.516 4.550 -0.000 0.000 0.296 300 Y C 2.702 178.543 175.900 -0.099 0.000 1.154 300 Y CA 0.564 58.729 58.100 0.108 0.000 1.325 300 Y CB -0.313 38.224 38.460 0.128 0.000 1.007 300 Y HN 0.315 nan 8.280 nan 0.000 0.542 301 S N 0.014 115.769 115.700 0.093 0.000 2.419 301 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 301 S C 1.469 175.981 174.600 -0.147 0.000 1.016 301 S CA 1.315 59.532 58.200 0.029 0.000 0.974 301 S CB -0.294 62.991 63.200 0.143 0.000 0.786 301 S HN 0.553 nan 8.310 nan 0.000 0.492 302 F N 0.125 119.893 119.950 -0.302 0.000 2.390 302 F HA 0.218 4.745 4.527 -0.000 0.000 0.281 302 F C 1.541 177.051 175.800 -0.482 0.000 1.016 302 F CA -0.065 57.672 58.000 -0.439 0.000 1.286 302 F CB -0.675 38.011 39.000 -0.524 0.000 1.134 302 F HN 0.130 nan 8.300 nan 0.000 0.597 303 W N 1.243 122.361 121.300 -0.303 0.000 2.321 303 W HA -0.243 4.417 4.660 -0.000 0.000 0.306 303 W C 2.388 178.719 176.519 -0.312 0.000 1.217 303 W CA 1.231 58.377 57.345 -0.331 0.000 1.257 303 W CB -0.573 28.906 29.460 0.032 0.000 1.145 303 W HN 0.109 nan 8.180 nan 0.000 0.509 304 Q N -0.138 119.545 119.800 -0.196 0.000 2.013 304 Q HA 0.017 4.357 4.340 -0.000 0.000 0.195 304 Q C 2.499 177.983 176.000 -0.860 0.000 0.974 304 Q CA 1.464 56.966 55.803 -0.502 0.000 0.826 304 Q CB -1.402 26.916 28.738 -0.701 0.000 0.895 304 Q HN 0.285 nan 8.270 nan 0.000 0.448 305 A N 1.196 123.209 122.820 -1.346 0.000 1.978 305 A HA -0.104 4.215 4.320 -0.000 0.000 0.220 305 A C 2.224 179.323 177.584 -0.808 0.000 1.170 305 A CA 1.762 52.993 52.037 -1.344 0.000 0.636 305 A CB -1.063 17.066 19.000 -1.452 0.000 0.810 305 A HN 0.465 nan 8.150 nan 0.000 0.448 306 G N -0.503 107.854 108.800 -0.739 0.000 2.498 306 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 306 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 306 G C 1.400 176.101 174.900 -0.333 0.000 1.119 306 G CA 0.849 45.560 45.100 -0.648 0.000 0.766 306 G HN 0.472 nan 8.290 nan 0.000 0.552 307 L N -0.378 120.689 121.223 -0.260 0.000 2.141 307 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 307 L C 2.761 179.557 176.870 -0.123 0.000 1.094 307 L CA 0.293 55.057 54.840 -0.127 0.000 0.763 307 L CB -0.275 41.751 42.059 -0.055 0.000 0.908 307 L HN 0.185 nan 8.230 nan 0.000 0.437 308 L N -0.305 120.822 121.223 -0.161 0.000 2.012 308 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 308 L C -0.231 176.570 176.870 -0.115 0.000 1.073 308 L CA 1.630 56.465 54.840 -0.009 0.000 0.748 308 L CB -1.675 40.517 42.059 0.222 0.000 0.891 308 L HN 0.191 nan 8.230 nan 0.000 0.431 309 P HA -0.150 nan 4.420 nan 0.000 0.217 309 P C 1.915 179.104 177.300 -0.184 0.000 1.150 309 P CA 1.268 63.900 63.100 -0.780 0.000 0.832 309 P CB 0.082 31.187 31.700 -0.992 0.000 0.787 310 L N -1.616 119.522 121.223 -0.142 0.000 2.056 310 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 310 L C 2.413 179.297 176.870 0.023 0.000 1.078 310 L CA 1.354 56.161 54.840 -0.056 0.000 0.749 310 L CB -0.934 41.063 42.059 -0.103 0.000 0.901 310 L HN -0.022 nan 8.230 nan 0.000 0.433 311 L N -1.118 120.135 121.223 0.049 0.000 2.093 311 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 311 L C 2.612 179.581 176.870 0.166 0.000 1.085 311 L CA 1.141 56.038 54.840 0.096 0.000 0.755 311 L CB -0.558 41.567 42.059 0.110 0.000 0.904 311 L HN 0.310 nan 8.230 nan 0.000 0.435 312 H N 0.076 119.244 119.070 0.164 0.000 2.321 312 H HA -0.208 4.348 4.556 -0.000 0.000 0.300 312 H C 2.509 177.962 175.328 0.209 0.000 1.087 312 H CA 1.927 58.129 56.048 0.256 0.000 1.319 312 H CB 0.131 30.169 29.762 0.460 0.000 1.379 312 H HN 0.065 nan 8.280 nan 0.000 0.501 313 R N 0.162 120.848 120.500 0.310 0.000 2.081 313 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 313 R C 2.300 178.701 176.300 0.168 0.000 1.131 313 R CA 1.226 57.464 56.100 0.230 0.000 0.960 313 R CB -0.391 30.000 30.300 0.152 0.000 0.856 313 R HN 0.423 nan 8.270 nan 0.000 0.436 314 A N 1.236 124.124 122.820 0.114 0.000 1.873 314 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 314 A C 2.247 179.871 177.584 0.067 0.000 1.186 314 A CA 1.076 53.159 52.037 0.076 0.000 0.616 314 A CB -0.546 18.482 19.000 0.047 0.000 0.823 314 A HN 0.334 nan 8.150 nan 0.000 0.442 315 L N -1.246 120.014 121.223 0.063 0.000 2.083 315 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 315 L C 2.710 179.603 176.870 0.038 0.000 1.083 315 L CA 1.627 56.490 54.840 0.037 0.000 0.752 315 L CB -0.739 41.336 42.059 0.026 0.000 0.899 315 L HN 0.627 nan 8.230 nan 0.000 0.433 316 H N 0.407 119.439 119.070 -0.062 0.000 2.387 316 H HA -0.131 4.424 4.556 -0.000 0.000 0.299 316 H C 2.078 177.410 175.328 0.006 0.000 1.090 316 H CA 1.359 57.379 56.048 -0.046 0.000 1.332 316 H CB 0.416 30.158 29.762 -0.035 0.000 1.386 316 H HN 0.332 nan 8.280 nan 0.000 0.516 317 A N 0.670 123.513 122.820 0.038 0.000 2.121 317 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 317 A C 2.094 179.650 177.584 -0.047 0.000 1.154 317 A CA 1.004 53.034 52.037 -0.012 0.000 0.679 317 A CB -0.259 18.773 19.000 0.053 0.000 0.795 317 A HN 0.571 nan 8.150 nan 0.000 0.458 318 Q N -1.321 118.458 119.800 -0.036 0.000 2.320 318 Q HA 0.254 4.594 4.340 -0.000 0.000 0.201 318 Q C 0.920 176.888 176.000 -0.055 0.000 0.910 318 Q CA 0.243 56.028 55.803 -0.030 0.000 0.946 318 Q CB 0.126 28.860 28.738 -0.008 0.000 1.062 318 Q HN 0.813 nan 8.270 nan 0.000 0.503 319 G N 2.152 110.884 108.800 -0.114 0.000 2.176 319 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.252 319 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.252 319 G C -0.287 174.571 174.900 -0.070 0.000 1.024 319 G CA 0.226 45.251 45.100 -0.125 0.000 0.755 319 G HN 0.389 nan 8.290 nan 0.000 0.507 320 D N 0.701 121.073 120.400 -0.046 0.000 2.451 320 D HA 0.199 4.839 4.640 -0.000 0.000 0.254 320 D C 0.187 176.494 176.300 0.012 0.000 1.204 320 D CA -0.900 53.096 54.000 -0.007 0.000 0.896 320 D CB 1.100 41.903 40.800 0.005 0.000 1.136 320 D HN 0.280 nan 8.370 nan 0.000 0.499 321 P HA 0.042 nan 4.420 nan 0.000 0.235 321 P C 0.634 177.956 177.300 0.037 0.000 1.177 321 P CA 0.164 63.280 63.100 0.027 0.000 0.785 321 P CB 0.415 32.125 31.700 0.016 0.000 0.885 322 A N -0.067 122.773 122.820 0.034 0.000 2.251 322 A HA 0.154 4.474 4.320 -0.000 0.000 0.209 322 A C 1.233 178.847 177.584 0.050 0.000 1.187 322 A CA -0.148 51.911 52.037 0.037 0.000 0.823 322 A CB -0.826 18.194 19.000 0.033 0.000 0.846 322 A HN 0.139 nan 8.150 nan 0.000 0.486 323 L N 1.435 122.693 121.223 0.059 0.000 2.513 323 L HA 0.052 4.392 4.340 -0.000 0.000 0.272 323 L C 1.113 178.061 176.870 0.131 0.000 1.187 323 L CA -0.267 54.623 54.840 0.083 0.000 0.895 323 L CB 0.653 42.704 42.059 -0.013 0.000 1.147 323 L HN 0.339 nan 8.230 nan 0.000 0.483 324 S N 3.473 119.257 115.700 0.140 0.000 2.566 324 S HA 0.028 4.498 4.470 -0.000 0.000 0.280 324 S C 0.915 175.515 174.600 -0.000 0.000 1.343 324 S CA -0.241 57.974 58.200 0.025 0.000 1.036 324 S CB 0.545 63.715 63.200 -0.051 0.000 0.866 324 S HN 0.598 nan 8.310 nan 0.000 0.526 325 M N 2.959 122.449 119.600 -0.183 0.000 2.356 325 M HA 0.150 4.630 4.480 -0.000 0.000 0.262 325 M C 1.081 176.982 176.300 -0.664 0.000 1.097 325 M CA 0.292 55.469 55.300 -0.204 0.000 0.991 325 M CB -0.314 32.237 32.600 -0.081 0.000 1.450 325 M HN 0.858 nan 8.290 nan 0.000 0.495 326 S N -2.383 112.601 115.700 -1.193 0.000 2.733 326 S HA 0.231 4.701 4.470 -0.000 0.000 0.270 326 S C 0.133 173.548 174.600 -1.975 0.000 1.062 326 S CA -0.435 56.830 58.200 -1.559 0.000 1.256 326 S CB 0.596 63.130 63.200 -1.110 0.000 1.187 326 S HN 0.461 nan 8.310 nan 0.000 0.666 327 H N -1.099 117.126 119.070 -1.409 0.000 2.980 327 H HA 0.593 5.149 4.556 -0.000 0.000 0.367 327 H C -1.380 173.698 175.328 -0.416 0.000 1.206 327 H CA -0.831 54.743 56.048 -0.790 0.000 1.126 327 H CB 0.873 30.375 29.762 -0.434 0.000 1.838 327 H HN 0.291 nan 8.280 nan 0.000 0.552 328 W N 1.311 122.697 121.300 0.143 0.000 2.253 328 W HA 0.282 4.942 4.660 -0.000 0.000 0.348 328 W C 0.541 177.147 176.519 0.145 0.000 1.229 328 W CA -0.765 56.715 57.345 0.226 0.000 1.335 328 W CB 0.627 30.248 29.460 0.268 0.000 1.165 328 W HN 0.334 nan 8.180 nan 0.000 0.631 329 M N 3.195 123.133 119.600 0.562 0.000 3.435 329 M HA 0.152 4.632 4.480 -0.000 0.000 0.205 329 M C -1.132 175.431 176.300 0.438 0.000 1.324 329 M CA 0.314 55.841 55.300 0.377 0.000 1.455 329 M CB -0.958 31.834 32.600 0.319 0.000 1.240 329 M HN 0.309 nan 8.290 nan 0.000 0.477 330 F N -3.796 116.306 119.950 0.254 0.000 2.662 330 F HA 0.420 4.946 4.527 -0.000 0.000 0.312 330 F C -0.528 175.369 175.800 0.162 0.000 1.113 330 F CA -1.325 56.818 58.000 0.237 0.000 0.951 330 F CB 0.826 40.070 39.000 0.407 0.000 1.344 330 F HN -0.087 nan 8.300 nan 0.000 0.462 331 H N 2.895 122.039 119.070 0.122 0.000 3.205 331 H HA 0.164 4.720 4.556 -0.000 0.000 0.262 331 H C 0.643 175.918 175.328 -0.088 0.000 1.333 331 H CA 0.817 56.794 56.048 -0.119 0.000 1.499 331 H CB 0.903 30.550 29.762 -0.191 0.000 1.609 331 H HN 0.868 nan 8.280 nan 0.000 0.498 332 Q N 2.461 122.081 119.800 -0.299 0.000 2.061 332 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 332 Q C 2.188 178.236 176.000 0.080 0.000 0.984 332 Q CA 1.650 57.352 55.803 -0.168 0.000 0.846 332 Q CB 0.140 28.740 28.738 -0.230 0.000 0.902 332 Q HN 0.705 nan 8.270 nan 0.000 0.421 333 Q N 0.151 119.969 119.800 0.031 0.000 2.061 333 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 333 Q C 2.031 178.096 176.000 0.107 0.000 0.984 333 Q CA 1.545 57.388 55.803 0.067 0.000 0.846 333 Q CB -0.191 28.557 28.738 0.015 0.000 0.902 333 Q HN 0.394 nan 8.270 nan 0.000 0.421 334 A N 0.772 123.662 122.820 0.116 0.000 1.933 334 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 334 A C 1.992 179.664 177.584 0.145 0.000 1.175 334 A CA 1.321 53.329 52.037 -0.049 0.000 0.628 334 A CB -0.712 18.031 19.000 -0.428 0.000 0.814 334 A HN 0.494 nan 8.150 nan 0.000 0.444 335 L N -0.039 121.339 121.223 0.258 0.000 2.017 335 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 335 L C 2.491 179.548 176.870 0.311 0.000 1.073 335 L CA 2.398 57.455 54.840 0.361 0.000 0.745 335 L CB -0.819 41.574 42.059 0.557 0.000 0.894 335 L HN 0.512 nan 8.230 nan 0.000 0.432 336 Q N -0.594 119.349 119.800 0.238 0.000 2.096 336 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 336 Q C 2.095 178.172 176.000 0.128 0.000 0.982 336 Q CA 2.074 57.972 55.803 0.159 0.000 0.850 336 Q CB -0.234 28.567 28.738 0.105 0.000 0.901 336 Q HN 0.660 nan 8.270 nan 0.000 0.422 337 E N -0.126 120.150 120.200 0.127 0.000 2.077 337 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 337 E C 1.751 178.466 176.600 0.191 0.000 0.989 337 E CA 1.032 57.497 56.400 0.110 0.000 0.800 337 E CB -0.194 29.530 29.700 0.040 0.000 0.746 337 E HN 0.330 nan 8.360 nan 0.000 0.452 338 Y N 1.599 121.991 120.300 0.153 0.000 2.097 338 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 338 Y C 1.937 177.911 175.900 0.123 0.000 1.152 338 Y CA 1.528 59.732 58.100 0.173 0.000 1.136 338 Y CB -0.277 38.274 38.460 0.151 0.000 0.975 338 Y HN -0.049 nan 8.280 nan 0.000 0.498 339 I N -0.444 120.116 120.570 -0.016 0.000 2.142 339 I HA -0.352 3.818 4.170 -0.000 0.000 0.240 339 I C 2.413 178.472 176.117 -0.096 0.000 1.078 339 I CA 1.613 62.855 61.300 -0.097 0.000 1.343 339 I CB -0.615 37.417 38.000 0.053 0.000 1.046 339 I HN 0.233 nan 8.210 nan 0.000 0.405 340 L N -0.315 120.903 121.223 -0.008 0.000 2.046 340 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 340 L C 2.611 179.490 176.870 0.015 0.000 1.077 340 L CA 1.569 56.418 54.840 0.016 0.000 0.747 340 L CB -0.382 41.700 42.059 0.038 0.000 0.896 340 L HN 0.292 nan 8.230 nan 0.000 0.432 341 M N -1.957 117.661 119.600 0.029 0.000 2.334 341 M HA -0.100 4.380 4.480 -0.000 0.000 0.266 341 M C 1.917 178.190 176.300 -0.045 0.000 1.082 341 M CA 1.003 56.346 55.300 0.072 0.000 1.141 341 M CB 0.000 32.736 32.600 0.227 0.000 1.380 341 M HN 0.365 nan 8.290 nan 0.000 0.440 342 C N -1.728 117.450 119.300 -0.205 0.000 3.019 342 C HA 0.151 4.611 4.460 -0.000 0.000 0.295 342 C C 1.923 176.719 174.990 -0.323 0.000 1.256 342 C CA -0.474 58.355 59.018 -0.315 0.000 1.706 342 C CB -0.426 27.012 27.740 -0.503 0.000 2.153 342 C HN 0.570 nan 8.230 nan 0.000 0.618 343 C N 0.906 120.015 119.300 -0.318 0.000 2.974 343 C HA 0.203 4.663 4.460 -0.000 0.000 0.282 343 C C 0.630 175.536 174.990 -0.140 0.000 1.292 343 C CA -0.165 58.712 59.018 -0.234 0.000 1.710 343 C CB -1.661 25.935 27.740 -0.241 0.000 2.036 343 C HN 0.605 nan 8.230 nan 0.000 0.629 344 Q N 0.309 120.054 119.800 -0.090 0.000 2.271 344 Q HA 0.358 4.698 4.340 -0.000 0.000 0.258 344 Q C -0.485 175.495 176.000 -0.032 0.000 0.936 344 Q CA -0.091 55.704 55.803 -0.013 0.000 0.909 344 Q CB 1.889 30.672 28.738 0.075 0.000 1.253 344 Q HN 0.467 nan 8.270 nan 0.000 0.440 345 C N 4.212 123.491 119.300 -0.034 0.000 2.369 345 C HA 0.338 4.798 4.460 -0.000 0.000 0.358 345 C C -1.322 173.633 174.990 -0.059 0.000 1.274 345 C CA -1.848 57.120 59.018 -0.084 0.000 1.935 345 C CB 0.132 27.773 27.740 -0.165 0.000 2.431 345 C HN 0.734 nan 8.230 nan 0.000 0.545 346 P HA -0.051 nan 4.420 nan 0.000 0.216 346 P C 1.135 178.387 177.300 -0.080 0.000 1.150 346 P CA 1.868 64.928 63.100 -0.066 0.000 0.837 346 P CB 0.074 31.738 31.700 -0.059 0.000 0.786 347 A N -1.158 121.608 122.820 -0.089 0.000 2.235 347 A HA 0.459 4.779 4.320 -0.000 0.000 0.208 347 A C 1.034 178.563 177.584 -0.092 0.000 1.172 347 A CA 0.834 52.820 52.037 -0.084 0.000 0.786 347 A CB -1.003 17.951 19.000 -0.077 0.000 0.804 347 A HN 0.323 nan 8.150 nan 0.000 0.479 348 G N -2.843 105.887 108.800 -0.116 0.000 2.576 348 G HA2 0.539 4.499 3.960 -0.000 0.000 0.686 348 G HA3 0.539 4.499 3.960 -0.000 0.000 0.686 348 G C 0.368 175.084 174.900 -0.307 0.000 1.242 348 G CA -0.220 44.849 45.100 -0.053 0.000 0.819 348 G HN 2.408 nan 8.290 nan 0.000 0.655 349 G N -1.149 107.652 108.800 0.001 0.000 2.712 349 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 349 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 349 G C -0.572 174.179 174.900 -0.249 0.000 1.321 349 G CA 0.105 44.977 45.100 -0.380 0.000 0.813 349 G HN 1.648 nan 8.290 nan 0.000 0.599 350 L N 0.178 121.266 121.223 -0.226 0.000 2.286 350 L HA 0.970 5.310 4.340 -0.000 0.000 0.265 350 L C 0.521 177.317 176.870 -0.125 0.000 1.012 350 L CA -0.950 53.781 54.840 -0.182 0.000 0.818 350 L CB 1.798 43.736 42.059 -0.203 0.000 1.337 350 L HN 1.047 nan 8.230 nan 0.000 0.438 351 L N -3.189 117.953 121.223 -0.136 0.000 2.389 351 L HA 0.709 5.048 4.340 -0.000 0.000 0.249 351 L C 0.326 177.026 176.870 -0.282 0.000 1.083 351 L CA -0.672 54.036 54.840 -0.221 0.000 0.876 351 L CB 0.616 42.550 42.059 -0.209 0.000 1.489 351 L HN 0.445 nan 8.230 nan 0.000 0.412 352 D N 0.114 120.180 120.400 -0.556 0.000 2.077 352 D HA -0.058 4.582 4.640 -0.000 0.000 0.193 352 D C 0.037 176.313 176.300 -0.039 0.000 0.989 352 D CA 2.290 56.071 54.000 -0.366 0.000 0.831 352 D CB 0.321 40.846 40.800 -0.458 0.000 0.979 352 D HN 0.734 nan 8.370 nan 0.000 0.449 353 K N -2.006 118.362 120.400 -0.053 0.000 2.578 353 K HA 0.524 4.844 4.320 -0.000 0.000 0.287 353 K C -3.032 173.547 176.600 -0.036 0.000 1.010 353 K CA -1.707 54.602 56.287 0.037 0.000 0.889 353 K CB 1.413 33.989 32.500 0.127 0.000 1.514 353 K HN -0.297 nan 8.250 nan 0.000 0.424 354 P HA 0.039 nan 4.420 nan 0.000 0.263 354 P C 0.428 177.705 177.300 -0.038 0.000 1.195 354 P CA 1.672 64.739 63.100 -0.056 0.000 0.762 354 P CB 0.659 32.324 31.700 -0.058 0.000 0.799 355 G N 1.928 110.699 108.800 -0.048 0.000 2.307 355 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.210 355 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.210 355 G C 0.131 175.004 174.900 -0.046 0.000 1.005 355 G CA -0.372 44.705 45.100 -0.038 0.000 0.634 355 G HN 0.449 nan 8.290 nan 0.000 0.496 356 K N 1.518 121.880 120.400 -0.064 0.000 2.087 356 K HA 0.677 4.997 4.320 -0.000 0.000 0.255 356 K C 0.645 177.187 176.600 -0.098 0.000 0.988 356 K CA 0.243 56.480 56.287 -0.083 0.000 0.915 356 K CB 1.445 33.871 32.500 -0.123 0.000 1.043 356 K HN 0.609 nan 8.250 nan 0.000 0.457 357 S N 0.455 116.099 115.700 -0.093 0.000 2.654 357 S HA 0.455 4.925 4.470 -0.000 0.000 0.283 357 S C 0.219 174.754 174.600 -0.108 0.000 1.180 357 S CA -1.013 57.132 58.200 -0.091 0.000 1.021 357 S CB 1.394 64.557 63.200 -0.063 0.000 1.018 357 S HN 0.577 nan 8.310 nan 0.000 0.532 358 R N 0.331 120.756 120.500 -0.124 0.000 2.827 358 R HA 0.470 4.810 4.340 -0.000 0.000 0.269 358 R C -1.112 175.171 176.300 -0.028 0.000 1.048 358 R CA -0.206 55.812 56.100 -0.137 0.000 1.173 358 R CB -0.453 29.668 30.300 -0.298 0.000 1.070 358 R HN 0.866 nan 8.270 nan 0.000 0.498 359 D N -0.868 119.555 120.400 0.038 0.000 2.685 359 D HA 0.095 4.735 4.640 -0.000 0.000 0.236 359 D C -0.388 175.962 176.300 0.084 0.000 1.233 359 D CA -0.780 53.314 54.000 0.156 0.000 0.760 359 D CB -0.014 40.922 40.800 0.227 0.000 1.410 359 D HN 0.378 nan 8.370 nan 0.000 0.439 360 F N -0.365 119.774 119.950 0.315 0.000 2.269 360 F HA -0.090 4.437 4.527 -0.000 0.000 0.301 360 F C 1.980 177.661 175.800 -0.198 0.000 1.082 360 F CA 0.860 58.920 58.000 0.101 0.000 1.360 360 F CB -0.380 38.683 39.000 0.106 0.000 1.041 360 F HN 0.520 nan 8.300 nan 0.000 0.512 361 Y N 0.389 120.381 120.300 -0.513 0.000 2.145 361 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 361 Y C 2.384 177.955 175.900 -0.548 0.000 1.145 361 Y CA 1.979 59.360 58.100 -1.199 0.000 1.148 361 Y CB -0.941 36.785 38.460 -1.222 0.000 0.981 361 Y HN 0.062 nan 8.280 nan 0.000 0.507 362 H N -1.165 117.685 119.070 -0.367 0.000 2.462 362 H HA -0.047 4.509 4.556 -0.000 0.000 0.292 362 H C 2.122 177.279 175.328 -0.285 0.000 1.049 362 H CA 1.722 57.564 56.048 -0.343 0.000 1.334 362 H CB -0.117 29.560 29.762 -0.141 0.000 1.404 362 H HN 0.309 nan 8.280 nan 0.000 0.544 363 T N -0.643 113.837 114.554 -0.123 0.000 2.777 363 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 363 T C 2.338 176.906 174.700 -0.221 0.000 1.040 363 T CA 1.285 63.311 62.100 -0.123 0.000 1.141 363 T CB -0.659 68.233 68.868 0.040 0.000 0.868 363 T HN 0.562 nan 8.240 nan 0.000 0.444 364 C N 0.688 119.790 119.300 -0.329 0.000 2.432 364 C HA -0.093 4.366 4.460 -0.000 0.000 0.277 364 C C 2.347 176.945 174.990 -0.653 0.000 1.249 364 C CA 0.519 59.244 59.018 -0.489 0.000 1.725 364 C CB -1.436 25.942 27.740 -0.603 0.000 2.028 364 C HN 0.652 nan 8.230 nan 0.000 0.477 365 Y N -0.319 119.705 120.300 -0.459 0.000 2.395 365 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 365 Y C 2.849 178.585 175.900 -0.275 0.000 1.123 365 Y CA 1.261 59.070 58.100 -0.485 0.000 1.227 365 Y CB -0.571 37.430 38.460 -0.765 0.000 1.012 365 Y HN 0.383 nan 8.280 nan 0.000 0.552 366 C N -0.154 119.074 119.300 -0.120 0.000 2.466 366 C HA -0.113 4.347 4.460 -0.000 0.000 0.278 366 C C 2.659 177.619 174.990 -0.050 0.000 1.288 366 C CA 0.810 59.802 59.018 -0.043 0.000 1.722 366 C CB -1.150 26.556 27.740 -0.057 0.000 2.017 366 C HN 0.527 nan 8.230 nan 0.000 0.488 367 L N 0.348 121.500 121.223 -0.119 0.000 2.056 367 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 367 L C 2.664 179.499 176.870 -0.057 0.000 1.078 367 L CA 1.362 56.140 54.840 -0.103 0.000 0.749 367 L CB -0.704 41.257 42.059 -0.164 0.000 0.901 367 L HN 0.283 nan 8.230 nan 0.000 0.433 368 S N 0.169 115.816 115.700 -0.087 0.000 2.370 368 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 368 S C 2.018 176.728 174.600 0.184 0.000 1.033 368 S CA 1.367 59.584 58.200 0.028 0.000 1.011 368 S CB -0.681 62.424 63.200 -0.160 0.000 0.852 368 S HN 0.616 nan 8.310 nan 0.000 0.457 369 G N 1.478 110.373 108.800 0.158 0.000 2.408 369 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 369 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 369 G C 1.384 176.383 174.900 0.164 0.000 1.150 369 G CA 0.788 45.979 45.100 0.153 0.000 0.776 369 G HN 0.404 nan 8.290 nan 0.000 0.542 370 L N 1.080 122.377 121.223 0.123 0.000 2.017 370 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 370 L C 2.904 179.842 176.870 0.114 0.000 1.073 370 L CA 2.466 57.375 54.840 0.116 0.000 0.745 370 L CB -0.848 41.248 42.059 0.062 0.000 0.894 370 L HN 0.230 nan 8.230 nan 0.000 0.432 371 S N -0.716 115.056 115.700 0.120 0.000 2.359 371 S HA -0.166 4.303 4.470 -0.000 0.000 0.224 371 S C 2.060 176.810 174.600 0.250 0.000 1.035 371 S CA 1.483 59.783 58.200 0.167 0.000 1.018 371 S CB -0.339 62.989 63.200 0.214 0.000 0.876 371 S HN 0.426 nan 8.310 nan 0.000 0.448 372 I N 1.998 122.735 120.570 0.278 0.000 2.163 372 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 372 I C 2.807 179.226 176.117 0.503 0.000 1.085 372 I CA 1.569 63.066 61.300 0.330 0.000 1.347 372 I CB -1.796 36.303 38.000 0.165 0.000 1.044 372 I HN 0.395 nan 8.210 nan 0.000 0.408 373 A N -0.052 123.040 122.820 0.454 0.000 2.015 373 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 373 A C 2.204 179.916 177.584 0.214 0.000 1.163 373 A CA 1.230 53.552 52.037 0.476 0.000 0.646 373 A CB -0.452 18.817 19.000 0.448 0.000 0.806 373 A HN 0.545 nan 8.150 nan 0.000 0.448 374 Q N -1.037 118.792 119.800 0.048 0.000 2.302 374 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 374 Q C -0.281 175.551 176.000 -0.280 0.000 0.936 374 Q CA 0.514 56.187 55.803 -0.216 0.000 0.886 374 Q CB 0.197 28.643 28.738 -0.487 0.000 0.986 374 Q HN 0.717 nan 8.270 nan 0.000 0.487 375 H N -0.683 118.514 119.070 0.211 0.000 2.587 375 H HA 0.226 4.782 4.556 -0.000 0.000 0.325 375 H C -1.519 173.961 175.328 0.253 0.000 1.012 375 H CA -0.707 55.444 56.048 0.173 0.000 1.213 375 H CB 0.653 30.509 29.762 0.158 0.000 1.431 375 H HN 0.028 nan 8.280 nan 0.000 0.492 376 F N 2.123 122.014 119.950 -0.099 0.000 2.443 376 F HA 0.608 5.135 4.527 -0.000 0.000 0.335 376 F C -0.234 175.364 175.800 -0.336 0.000 1.104 376 F CA -0.410 57.192 58.000 -0.663 0.000 1.013 376 F CB 1.719 40.127 39.000 -0.987 0.000 1.136 376 F HN 0.576 nan 8.300 nan 0.000 0.470 377 G N 2.691 110.733 108.800 -1.264 0.000 2.668 377 G HA2 0.418 4.378 3.960 -0.000 0.000 0.284 377 G HA3 0.418 4.378 3.960 -0.000 0.000 0.284 377 G C -1.719 172.709 174.900 -0.787 0.000 1.456 377 G CA -0.662 44.020 45.100 -0.697 0.000 1.214 377 G HN 0.723 nan 8.290 nan 0.000 0.568 378 S N 1.983 117.317 115.700 -0.610 0.000 2.112 378 S HA 0.605 5.075 4.470 -0.000 0.000 0.151 378 S C 1.057 175.580 174.600 -0.128 0.000 1.723 378 S CA 0.954 58.955 58.200 -0.331 0.000 1.263 378 S CB -0.596 62.476 63.200 -0.214 0.000 1.194 378 S HN 2.450 nan 8.310 nan 0.000 0.419 379 G N 2.889 111.642 108.800 -0.078 0.000 2.554 379 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.253 379 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.253 379 G C 1.049 175.948 174.900 -0.001 0.000 1.172 379 G CA -0.035 45.060 45.100 -0.008 0.000 0.950 379 G HN 1.456 nan 8.290 nan 0.000 0.557 380 A N 0.127 122.960 122.820 0.022 0.000 2.014 380 A HA 0.400 4.720 4.320 -0.000 0.000 0.218 380 A C 1.598 179.197 177.584 0.025 0.000 1.163 380 A CA 1.928 53.980 52.037 0.024 0.000 0.652 380 A CB -0.391 18.629 19.000 0.033 0.000 0.808 380 A HN 0.727 nan 8.150 nan 0.000 0.449 381 M N 0.517 120.140 119.600 0.037 0.000 2.200 381 M HA 0.459 4.939 4.480 -0.000 0.000 0.355 381 M C -0.914 175.432 176.300 0.077 0.000 1.283 381 M CA 0.623 55.966 55.300 0.072 0.000 1.124 381 M CB 0.045 32.726 32.600 0.134 0.000 1.625 381 M HN 0.119 nan 8.290 nan 0.000 0.463 382 L N 3.040 124.321 121.223 0.097 0.000 2.464 382 L HA 0.460 4.800 4.340 -0.000 0.000 0.266 382 L C -1.152 175.812 176.870 0.157 0.000 0.965 382 L CA -0.553 54.347 54.840 0.100 0.000 0.833 382 L CB 2.271 44.351 42.059 0.034 0.000 1.296 382 L HN 0.756 nan 8.230 nan 0.000 0.405 383 H N 1.348 120.453 119.070 0.059 0.000 3.017 383 H HA 0.443 4.999 4.556 -0.000 0.000 0.340 383 H C -1.662 173.634 175.328 -0.053 0.000 1.014 383 H CA -0.453 55.553 56.048 -0.071 0.000 1.341 383 H CB 1.520 31.112 29.762 -0.283 0.000 1.739 383 H HN 0.457 nan 8.280 nan 0.000 0.506 384 D N 3.132 123.211 120.400 -0.535 0.000 2.229 384 D HA 0.460 5.100 4.640 -0.000 0.000 0.249 384 D C -0.541 175.434 176.300 -0.541 0.000 1.027 384 D CA -0.428 53.354 54.000 -0.364 0.000 0.923 384 D CB 2.303 43.031 40.800 -0.120 0.000 1.174 384 D HN 0.238 nan 8.370 nan 0.000 0.443 385 V N 1.680 121.424 119.914 -0.285 0.000 2.509 385 V HA 0.205 4.325 4.120 -0.000 0.000 0.289 385 V C -0.635 175.385 176.094 -0.123 0.000 1.026 385 V CA -0.710 61.486 62.300 -0.173 0.000 0.872 385 V CB 1.852 33.636 31.823 -0.065 0.000 1.017 385 V HN 0.282 nan 8.190 nan 0.000 0.436 386 V N 5.757 125.609 119.914 -0.103 0.000 2.293 386 V HA 0.430 4.550 4.120 -0.000 0.000 0.275 386 V C 0.310 176.374 176.094 -0.048 0.000 1.021 386 V CA -0.496 61.758 62.300 -0.076 0.000 0.815 386 V CB 1.373 33.156 31.823 -0.067 0.000 1.025 386 V HN 0.701 nan 8.190 nan 0.000 0.448 387 M N 3.096 122.677 119.600 -0.033 0.000 2.243 387 M HA 0.472 4.952 4.480 -0.000 0.000 0.341 387 M C 1.099 177.383 176.300 -0.027 0.000 1.130 387 M CA 1.064 56.349 55.300 -0.026 0.000 1.162 387 M CB 0.371 32.966 32.600 -0.009 0.000 1.497 387 M HN 0.932 nan 8.290 nan 0.000 0.456 388 G N 1.216 109.994 108.800 -0.037 0.000 2.598 388 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.244 388 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.244 388 G C -0.258 174.622 174.900 -0.033 0.000 1.302 388 G CA -0.306 44.771 45.100 -0.039 0.000 0.903 388 G HN 1.225 nan 8.290 nan 0.000 0.575 389 V N -0.954 118.944 119.914 -0.027 0.000 2.788 389 V HA 0.428 4.548 4.120 -0.000 0.000 0.307 389 V C 0.074 176.157 176.094 -0.019 0.000 1.069 389 V CA 0.281 62.567 62.300 -0.023 0.000 1.173 389 V CB 0.941 32.753 31.823 -0.018 0.000 0.925 389 V HN 0.846 nan 8.190 nan 0.000 0.492 390 P HA -0.102 nan 4.420 nan 0.000 0.225 390 P C 0.951 178.246 177.300 -0.008 0.000 1.148 390 P CA 1.212 64.303 63.100 -0.016 0.000 0.779 390 P CB 0.308 31.998 31.700 -0.016 0.000 0.780 391 E N -0.117 120.079 120.200 -0.007 0.000 2.409 391 E HA -0.089 4.261 4.350 -0.000 0.000 0.198 391 E C 1.657 178.260 176.600 0.006 0.000 1.024 391 E CA 0.454 56.852 56.400 -0.003 0.000 0.861 391 E CB -0.924 28.771 29.700 -0.008 0.000 0.788 391 E HN 0.238 nan 8.360 nan 0.000 0.521 392 N N 0.198 118.901 118.700 0.005 0.000 2.443 392 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 392 N C 0.232 175.751 175.510 0.015 0.000 1.037 392 N CA 0.219 53.277 53.050 0.013 0.000 0.896 392 N CB -0.085 38.405 38.487 0.006 0.000 0.959 392 N HN 0.085 nan 8.380 nan 0.000 0.442 393 V N 2.029 121.951 119.914 0.014 0.000 2.540 393 V HA 0.007 4.127 4.120 -0.000 0.000 0.297 393 V C 0.132 176.271 176.094 0.075 0.000 1.024 393 V CA 0.087 62.408 62.300 0.034 0.000 1.105 393 V CB -0.073 31.784 31.823 0.057 0.000 0.938 393 V HN 0.032 nan 8.190 nan 0.000 0.482 394 L N 5.691 126.985 121.223 0.119 0.000 2.331 394 L HA 0.553 4.892 4.340 -0.000 0.000 0.268 394 L C 0.062 177.065 176.870 0.223 0.000 1.015 394 L CA -1.029 53.889 54.840 0.130 0.000 0.807 394 L CB 1.255 43.366 42.059 0.087 0.000 1.293 394 L HN 0.463 nan 8.230 nan 0.000 0.451 395 Q N 1.881 121.745 119.800 0.106 0.000 2.373 395 Q HA 0.248 4.588 4.340 -0.000 0.000 0.255 395 Q C -2.226 173.826 176.000 0.087 0.000 0.980 395 Q CA -1.581 54.257 55.803 0.058 0.000 0.882 395 Q CB 0.608 29.356 28.738 0.016 0.000 1.249 395 Q HN 0.260 nan 8.270 nan 0.000 0.438 396 P HA 0.048 nan 4.420 nan 0.000 0.272 396 P C -0.466 176.925 177.300 0.152 0.000 1.230 396 P CA -0.117 63.010 63.100 0.044 0.000 0.788 396 P CB 0.872 32.497 31.700 -0.125 0.000 0.949 397 T N 0.090 114.782 114.554 0.229 0.000 2.876 397 T HA 0.183 4.533 4.350 -0.000 0.000 0.289 397 T C -0.715 174.171 174.700 0.310 0.000 1.014 397 T CA -0.516 61.765 62.100 0.302 0.000 0.986 397 T CB 0.351 69.435 68.868 0.359 0.000 1.021 397 T HN 0.381 nan 8.240 nan 0.000 0.458 398 H N 6.040 125.274 119.070 0.273 0.000 2.899 398 H HA 0.210 4.766 4.556 -0.000 0.000 0.303 398 H C -1.546 173.988 175.328 0.344 0.000 1.042 398 H CA -1.605 54.616 56.048 0.288 0.000 1.479 398 H CB 1.814 31.778 29.762 0.336 0.000 1.493 398 H HN 0.447 nan 8.280 nan 0.000 0.534 399 P HA -0.130 nan 4.420 nan 0.000 0.225 399 P C 1.247 178.812 177.300 0.442 0.000 1.148 399 P CA 0.552 63.791 63.100 0.233 0.000 0.779 399 P CB 0.633 32.305 31.700 -0.047 0.000 0.780 400 V N -1.573 118.643 119.914 0.502 0.000 2.436 400 V HA -0.100 4.020 4.120 -0.000 0.000 0.240 400 V C 2.220 178.560 176.094 0.410 0.000 1.040 400 V CA 1.488 63.977 62.300 0.314 0.000 1.052 400 V CB -1.125 30.702 31.823 0.007 0.000 0.707 400 V HN -0.037 nan 8.190 nan 0.000 0.469 401 Y N -0.540 120.139 120.300 0.632 0.000 2.510 401 Y HA 0.252 4.802 4.550 -0.000 0.000 0.273 401 Y C 1.394 177.528 175.900 0.390 0.000 1.119 401 Y CA 0.274 58.649 58.100 0.459 0.000 1.286 401 Y CB -0.016 38.525 38.460 0.134 0.000 1.061 401 Y HN 0.370 nan 8.280 nan 0.000 0.542 402 N N 1.053 120.069 118.700 0.528 0.000 2.738 402 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 402 N C -0.898 174.538 175.510 -0.124 0.000 1.047 402 N CA 0.962 54.113 53.050 0.167 0.000 0.707 402 N CB -1.471 36.883 38.487 -0.222 0.000 0.937 402 N HN 0.635 nan 8.380 nan 0.000 0.545 403 I N -4.312 116.353 120.570 0.159 0.000 3.074 403 I HA 0.744 4.914 4.170 -0.000 0.000 0.310 403 I C 1.002 177.291 176.117 0.286 0.000 1.153 403 I CA -1.047 60.353 61.300 0.166 0.000 0.993 403 I CB 1.575 39.638 38.000 0.104 0.000 1.237 403 I HN 0.003 nan 8.210 nan 0.000 0.443 404 G N 2.383 111.335 108.800 0.253 0.000 2.321 404 G HA2 0.266 4.226 3.960 -0.000 0.000 0.237 404 G HA3 0.266 4.226 3.960 -0.000 0.000 0.237 404 G C -1.952 173.062 174.900 0.189 0.000 1.282 404 G CA -0.689 44.531 45.100 0.200 0.000 0.886 404 G HN 0.606 nan 8.290 nan 0.000 0.528 405 P HA -0.138 nan 4.420 nan 0.000 0.217 405 P C 1.593 178.981 177.300 0.146 0.000 1.148 405 P CA 1.526 64.783 63.100 0.262 0.000 0.828 405 P CB 0.210 32.048 31.700 0.230 0.000 0.783 406 D N -0.571 119.889 120.400 0.101 0.000 2.144 406 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 406 D C 1.454 177.785 176.300 0.053 0.000 0.978 406 D CA 1.199 55.238 54.000 0.066 0.000 0.833 406 D CB -0.587 40.243 40.800 0.049 0.000 0.961 406 D HN 0.080 nan 8.370 nan 0.000 0.470 407 K N 0.796 121.230 120.400 0.056 0.000 2.097 407 K HA 0.000 4.320 4.320 -0.000 0.000 0.205 407 K C 2.480 179.081 176.600 0.001 0.000 1.050 407 K CA 0.287 56.600 56.287 0.044 0.000 0.938 407 K CB -0.604 31.926 32.500 0.049 0.000 0.718 407 K HN 0.170 nan 8.250 nan 0.000 0.442 408 V N 2.029 121.911 119.914 -0.053 0.000 2.261 408 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 408 V C 2.404 178.426 176.094 -0.120 0.000 1.047 408 V CA 1.594 63.769 62.300 -0.208 0.000 1.015 408 V CB -0.421 31.201 31.823 -0.336 0.000 0.642 408 V HN 0.171 nan 8.190 nan 0.000 0.446 409 I N -0.361 120.192 120.570 -0.029 0.000 2.163 409 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 409 I C 2.680 178.798 176.117 0.000 0.000 1.085 409 I CA 2.030 63.332 61.300 0.004 0.000 1.347 409 I CB -0.462 37.562 38.000 0.040 0.000 1.044 409 I HN 0.403 nan 8.210 nan 0.000 0.408 410 Q N 0.899 120.711 119.800 0.020 0.000 2.061 410 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 410 Q C 2.345 178.340 176.000 -0.008 0.000 0.984 410 Q CA 2.121 57.948 55.803 0.040 0.000 0.846 410 Q CB -0.106 28.686 28.738 0.090 0.000 0.902 410 Q HN 0.560 nan 8.270 nan 0.000 0.421 411 A N 0.295 123.110 122.820 -0.008 0.000 1.877 411 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 411 A C 2.297 179.852 177.584 -0.050 0.000 1.186 411 A CA 2.246 54.206 52.037 -0.128 0.000 0.620 411 A CB -1.358 17.679 19.000 0.062 0.000 0.822 411 A HN 0.684 nan 8.150 nan 0.000 0.443 412 T N -3.075 111.467 114.554 -0.020 0.000 2.746 412 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 412 T C 1.831 176.531 174.700 -0.001 0.000 1.039 412 T CA 2.253 64.362 62.100 0.015 0.000 1.142 412 T CB -1.182 67.673 68.868 -0.021 0.000 0.866 412 T HN 0.312 nan 8.240 nan 0.000 0.444 413 T N 0.842 115.378 114.554 -0.031 0.000 2.684 413 T HA -0.148 4.201 4.350 -0.000 0.000 0.267 413 T C 1.713 176.356 174.700 -0.095 0.000 1.036 413 T CA 1.929 64.004 62.100 -0.042 0.000 1.148 413 T CB -0.660 68.194 68.868 -0.022 0.000 0.863 413 T HN 0.802 nan 8.240 nan 0.000 0.436 414 H N 0.079 118.976 119.070 -0.289 0.000 2.353 414 H HA -0.013 4.543 4.556 -0.000 0.000 0.300 414 H C 1.750 176.795 175.328 -0.473 0.000 1.090 414 H CA 1.635 57.405 56.048 -0.464 0.000 1.327 414 H CB -0.486 28.754 29.762 -0.870 0.000 1.383 414 H HN 0.437 nan 8.280 nan 0.000 0.508 415 F N -0.289 119.511 119.950 -0.250 0.000 2.456 415 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 415 F C 2.032 177.718 175.800 -0.190 0.000 1.104 415 F CA 0.237 58.099 58.000 -0.229 0.000 1.435 415 F CB 0.085 39.004 39.000 -0.136 0.000 1.078 415 F HN 0.145 nan 8.300 nan 0.000 0.546 416 L N -0.309 120.904 121.223 -0.016 0.000 2.465 416 L HA -0.157 4.183 4.340 -0.000 0.000 0.224 416 L C 1.970 178.787 176.870 -0.088 0.000 1.145 416 L CA 0.848 55.667 54.840 -0.034 0.000 0.834 416 L CB -0.441 41.602 42.059 -0.025 0.000 0.944 416 L HN 0.228 nan 8.230 nan 0.000 0.451 417 Q N -0.326 119.377 119.800 -0.162 0.000 2.297 417 Q HA -0.026 4.314 4.340 -0.000 0.000 0.204 417 Q C 0.227 176.130 176.000 -0.162 0.000 0.962 417 Q CA 0.665 56.360 55.803 -0.180 0.000 0.879 417 Q CB 0.235 28.812 28.738 -0.269 0.000 0.947 417 Q HN 0.312 nan 8.270 nan 0.000 0.462 418 K N 1.589 121.904 120.400 -0.142 0.000 2.095 418 K HA 0.372 4.692 4.320 -0.000 0.000 0.252 418 K C -2.397 174.148 176.600 -0.092 0.000 0.977 418 K CA -1.894 54.337 56.287 -0.092 0.000 0.900 418 K CB 0.712 33.204 32.500 -0.014 0.000 1.060 418 K HN -0.088 nan 8.250 nan 0.000 0.449 419 P HA 0.175 nan 4.420 nan 0.000 0.290 419 P C -0.252 177.002 177.300 -0.077 0.000 1.275 419 P CA -0.628 62.353 63.100 -0.199 0.000 0.841 419 P CB 0.952 32.360 31.700 -0.486 0.000 1.042 420 V N 4.818 124.704 119.914 -0.048 0.000 2.509 420 V HA -0.032 4.087 4.120 -0.000 0.000 0.297 420 V C -1.801 174.343 176.094 0.084 0.000 1.014 420 V CA -0.538 61.776 62.300 0.023 0.000 1.127 420 V CB -0.942 30.902 31.823 0.035 0.000 0.925 420 V HN 0.584 nan 8.190 nan 0.000 0.480 421 P HA 0.057 nan 4.420 nan 0.000 0.257 421 P C 1.027 178.434 177.300 0.178 0.000 1.162 421 P CA 1.849 65.032 63.100 0.140 0.000 0.762 421 P CB 0.143 31.903 31.700 0.101 0.000 0.753 422 G N 2.154 111.098 108.800 0.239 0.000 2.258 422 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.233 422 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.233 422 G C 0.335 175.429 174.900 0.323 0.000 1.006 422 G CA -0.134 45.070 45.100 0.174 0.000 0.620 422 G HN 0.584 nan 8.290 nan 0.000 0.511 423 F N 0.000 119.962 119.950 0.019 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.010 58.000 0.017 0.000 1.383 423 F CB 0.000 39.007 39.000 0.011 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574