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 3km8_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGQVGSPEV VREAVDILKT ERVGHGEHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.698 174.700 -0.003 0.000 1.109 4 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 4 T CB 0.000 68.871 68.868 0.004 0.000 0.612 5 P HA 0.310 nan 4.420 nan 0.000 0.264 5 P C 0.705 178.018 177.300 0.021 0.000 1.193 5 P CA -0.108 62.978 63.100 -0.023 0.000 0.763 5 P CB 0.573 32.237 31.700 -0.059 0.000 0.810 6 A N 3.206 126.055 122.820 0.048 0.000 1.978 6 A HA -0.101 4.246 4.320 0.045 0.000 0.220 6 A C 0.617 178.361 177.584 0.266 0.000 1.170 6 A CA 1.290 53.421 52.037 0.156 0.000 0.636 6 A CB -0.712 18.398 19.000 0.182 0.000 0.810 6 A HN 0.538 nan 8.150 nan 0.000 0.448 7 F N -0.672 119.215 119.950 -0.105 0.000 3.164 7 F HA 0.416 4.969 4.527 0.044 0.000 0.375 7 F C -0.609 175.081 175.800 -0.182 0.000 1.257 7 F CA -1.413 56.512 58.000 -0.125 0.000 1.171 7 F CB 0.752 39.553 39.000 -0.332 0.000 1.588 7 F HN -0.016 nan 8.300 nan 0.000 0.604 8 N N 5.050 123.530 118.700 -0.366 0.000 2.758 8 N HA 0.244 5.011 4.740 0.045 0.000 0.293 8 N C -1.058 174.189 175.510 -0.437 0.000 1.273 8 N CA 0.192 53.043 53.050 -0.332 0.000 1.022 8 N CB 0.032 38.414 38.487 -0.175 0.000 1.334 8 N HN 0.581 nan 8.380 nan 0.000 0.519 9 K N -0.281 119.669 120.400 -0.749 0.000 2.480 9 K HA 0.491 4.838 4.320 0.045 0.000 0.258 9 K C -2.842 173.541 176.600 -0.362 0.000 0.990 9 K CA -2.044 53.888 56.287 -0.592 0.000 0.857 9 K CB 1.639 33.630 32.500 -0.848 0.000 1.384 9 K HN -0.062 nan 8.250 nan 0.000 0.446 10 P HA 0.063 nan 4.420 nan 0.000 0.265 10 P C -1.146 176.267 177.300 0.188 0.000 1.193 10 P CA 0.216 63.331 63.100 0.025 0.000 0.765 10 P CB 0.502 32.200 31.700 -0.002 0.000 0.823 11 K N 1.146 121.621 120.400 0.125 0.000 2.340 11 K HA 0.648 4.995 4.320 0.045 0.000 0.244 11 K C -1.118 175.573 176.600 0.152 0.000 0.973 11 K CA -1.014 55.389 56.287 0.194 0.000 0.828 11 K CB 1.907 34.441 32.500 0.058 0.000 1.226 11 K HN 0.065 nan 8.250 nan 0.000 0.437 12 V N 1.369 121.393 119.914 0.185 0.000 2.495 12 V HA 0.316 4.463 4.120 0.045 0.000 0.298 12 V C -0.759 175.419 176.094 0.141 0.000 1.031 12 V CA -0.674 61.724 62.300 0.164 0.000 0.871 12 V CB 1.586 33.519 31.823 0.183 0.000 0.988 12 V HN 0.740 nan 8.190 nan 0.000 0.432 13 E N 3.106 123.354 120.200 0.081 0.000 2.199 13 E HA 0.423 4.800 4.350 0.045 0.000 0.265 13 E C -0.548 176.078 176.600 0.043 0.000 0.882 13 E CA -0.665 55.792 56.400 0.095 0.000 0.759 13 E CB 1.639 31.407 29.700 0.113 0.000 1.148 13 E HN 0.470 nan 8.360 nan 0.000 0.412 14 L N 2.868 124.139 121.223 0.080 0.000 2.556 14 L HA 0.193 4.560 4.340 0.045 0.000 0.226 14 L C 0.317 177.221 176.870 0.057 0.000 1.089 14 L CA 0.695 55.550 54.840 0.027 0.000 0.864 14 L CB -0.447 41.602 42.059 -0.016 0.000 1.067 14 L HN 0.590 nan 8.230 nan 0.000 0.477 15 H N -0.485 118.605 119.070 0.034 0.000 2.854 15 H HA 0.598 5.182 4.556 0.047 0.000 0.275 15 H C -1.484 173.900 175.328 0.094 0.000 1.198 15 H CA -0.246 55.809 56.048 0.011 0.000 1.489 15 H CB 1.184 30.925 29.762 -0.035 0.000 1.519 15 H HN -0.190 nan 8.280 nan 0.000 0.503 16 V N 5.719 125.712 119.914 0.132 0.000 2.817 16 V HA 0.250 4.398 4.120 0.045 0.000 0.303 16 V C -1.335 174.821 176.094 0.102 0.000 1.151 16 V CA -0.571 61.891 62.300 0.271 0.000 0.929 16 V CB 1.777 33.819 31.823 0.364 0.000 1.030 16 V HN 0.811 nan 8.190 nan 0.000 0.427 17 H N 6.445 125.666 119.070 0.252 0.000 2.604 17 H HA 0.224 4.807 4.556 0.046 0.000 0.306 17 H C 0.759 176.168 175.328 0.135 0.000 1.075 17 H CA 0.011 56.189 56.048 0.216 0.000 1.357 17 H CB 2.224 32.201 29.762 0.358 0.000 1.426 17 H HN 0.721 nan 8.280 nan 0.000 0.470 18 L N 3.840 125.116 121.223 0.088 0.000 2.042 18 L HA -0.216 4.151 4.340 0.045 0.000 0.210 18 L C 1.754 178.708 176.870 0.139 0.000 1.076 18 L CA 1.999 56.797 54.840 -0.070 0.000 0.749 18 L CB -0.313 41.624 42.059 -0.202 0.000 0.893 18 L HN 0.680 nan 8.230 nan 0.000 0.432 19 D N -1.612 118.964 120.400 0.293 0.000 2.349 19 D HA 0.012 4.679 4.640 0.045 0.000 0.224 19 D C 1.703 178.298 176.300 0.492 0.000 1.029 19 D CA 0.854 55.087 54.000 0.388 0.000 0.879 19 D CB -0.615 40.454 40.800 0.448 0.000 0.906 19 D HN 0.407 nan 8.370 nan 0.000 0.528 20 G N -0.597 108.471 108.800 0.447 0.000 3.502 20 G HA2 0.423 4.410 3.960 0.045 0.000 0.267 20 G HA3 0.423 4.410 3.960 0.045 0.000 0.267 20 G C 0.516 175.509 174.900 0.155 0.000 1.090 20 G CA -0.003 45.257 45.100 0.267 0.000 0.795 20 G HN 0.399 nan 8.290 nan 0.000 0.535 21 A N 0.677 123.597 122.820 0.168 0.000 3.045 21 A HA 0.613 4.960 4.320 0.045 0.000 0.244 21 A C -0.248 177.420 177.584 0.140 0.000 0.917 21 A CA -0.364 51.785 52.037 0.187 0.000 1.075 21 A CB -0.059 19.165 19.000 0.374 0.000 1.202 21 A HN 0.193 nan 8.150 nan 0.000 0.486 22 I N 0.694 121.273 120.570 0.016 0.000 2.412 22 I HA 0.253 4.450 4.170 0.045 0.000 0.296 22 I C 0.179 176.263 176.117 -0.055 0.000 0.987 22 I CA -0.787 60.507 61.300 -0.010 0.000 1.180 22 I CB 1.779 39.738 38.000 -0.069 0.000 1.340 22 I HN 0.167 nan 8.210 nan 0.000 0.455 23 K N 6.609 127.004 120.400 -0.008 0.000 2.451 23 K HA 0.066 4.413 4.320 0.045 0.000 0.280 23 K C -1.613 174.962 176.600 -0.041 0.000 1.020 23 K CA -1.113 55.163 56.287 -0.019 0.000 1.008 23 K CB 0.633 33.136 32.500 0.006 0.000 0.917 23 K HN 0.290 nan 8.250 nan 0.000 0.478 24 P HA -0.150 nan 4.420 nan 0.000 0.218 24 P C 0.450 177.739 177.300 -0.019 0.000 1.148 24 P CA 1.251 64.310 63.100 -0.068 0.000 0.822 24 P CB 0.303 31.965 31.700 -0.063 0.000 0.784 25 E N -1.105 119.093 120.200 -0.003 0.000 2.153 25 E HA -0.103 4.274 4.350 0.045 0.000 0.194 25 E C 1.871 178.504 176.600 0.055 0.000 0.988 25 E CA 1.467 57.876 56.400 0.015 0.000 0.811 25 E CB -1.159 28.540 29.700 -0.002 0.000 0.746 25 E HN 0.226 nan 8.360 nan 0.000 0.466 26 T N 0.066 114.664 114.554 0.073 0.000 2.978 26 T HA 0.087 4.465 4.350 0.045 0.000 0.262 26 T C 1.818 176.690 174.700 0.288 0.000 1.063 26 T CA 0.366 62.568 62.100 0.170 0.000 1.140 26 T CB -0.048 68.927 68.868 0.178 0.000 0.886 26 T HN 0.063 nan 8.240 nan 0.000 0.470 27 I N 0.719 121.383 120.570 0.157 0.000 2.202 27 I HA -0.119 4.078 4.170 0.045 0.000 0.242 27 I C 2.204 178.401 176.117 0.133 0.000 1.091 27 I CA 0.738 62.125 61.300 0.145 0.000 1.368 27 I CB -0.246 37.761 38.000 0.011 0.000 1.058 27 I HN 0.157 nan 8.210 nan 0.000 0.410 28 L N 0.106 121.375 121.223 0.077 0.000 2.042 28 L HA -0.283 4.085 4.340 0.045 0.000 0.210 28 L C 2.455 179.341 176.870 0.028 0.000 1.076 28 L CA 1.968 56.834 54.840 0.043 0.000 0.749 28 L CB -1.221 40.855 42.059 0.028 0.000 0.893 28 L HN 0.268 nan 8.230 nan 0.000 0.432 29 Y N -0.988 119.263 120.300 -0.081 0.000 2.128 29 Y HA -0.310 4.267 4.550 0.045 0.000 0.284 29 Y C 2.293 178.033 175.900 -0.266 0.000 1.154 29 Y CA 1.896 59.864 58.100 -0.221 0.000 1.149 29 Y CB -0.507 37.730 38.460 -0.372 0.000 0.976 29 Y HN 0.164 nan 8.280 nan 0.000 0.505 30 F N -0.307 119.648 119.950 0.008 0.000 2.293 30 F HA 0.088 4.642 4.527 0.046 0.000 0.297 30 F C 2.597 178.339 175.800 -0.097 0.000 1.089 30 F CA 1.149 59.105 58.000 -0.073 0.000 1.377 30 F CB -1.075 37.959 39.000 0.056 0.000 1.051 30 F HN 0.099 nan 8.300 nan 0.000 0.511 31 G N -0.029 108.823 108.800 0.086 0.000 2.440 31 G HA2 -0.269 3.718 3.960 0.045 0.000 0.218 31 G HA3 -0.269 3.718 3.960 0.045 0.000 0.218 31 G C 1.785 176.667 174.900 -0.029 0.000 1.154 31 G CA 0.907 46.028 45.100 0.035 0.000 0.767 31 G HN 0.248 nan 8.290 nan 0.000 0.552 32 K N 0.038 120.379 120.400 -0.099 0.000 2.001 32 K HA 0.018 4.365 4.320 0.045 0.000 0.208 32 K C 2.485 178.976 176.600 -0.182 0.000 1.048 32 K CA 1.228 57.431 56.287 -0.141 0.000 0.932 32 K CB -0.164 32.236 32.500 -0.166 0.000 0.715 32 K HN 0.194 nan 8.250 nan 0.000 0.437 33 K N 0.939 121.147 120.400 -0.319 0.000 2.032 33 K HA -0.170 4.177 4.320 0.045 0.000 0.209 33 K C 1.966 178.510 176.600 -0.093 0.000 1.048 33 K CA 1.556 57.681 56.287 -0.270 0.000 0.927 33 K CB 0.090 32.343 32.500 -0.413 0.000 0.712 33 K HN 0.067 nan 8.250 nan 0.000 0.441 34 R N -1.091 119.393 120.500 -0.028 0.000 2.200 34 R HA 0.061 4.428 4.340 0.045 0.000 0.208 34 R C 0.876 177.178 176.300 0.005 0.000 1.033 34 R CA 0.608 56.719 56.100 0.019 0.000 1.000 34 R CB 0.174 30.512 30.300 0.063 0.000 0.906 34 R HN 0.398 nan 8.270 nan 0.000 0.462 35 G N 2.086 110.879 108.800 -0.011 0.000 2.298 35 G HA2 -0.256 3.731 3.960 0.045 0.000 0.287 35 G HA3 -0.256 3.731 3.960 0.045 0.000 0.287 35 G C -0.128 174.779 174.900 0.011 0.000 1.075 35 G CA -0.055 45.042 45.100 -0.005 0.000 0.960 35 G HN 0.229 nan 8.290 nan 0.000 0.502 36 I N 0.429 121.010 120.570 0.018 0.000 2.441 36 I HA 0.634 4.831 4.170 0.045 0.000 0.295 36 I C 0.915 177.048 176.117 0.028 0.000 0.994 36 I CA -0.855 60.461 61.300 0.028 0.000 1.144 36 I CB 1.897 39.917 38.000 0.033 0.000 1.314 36 I HN 0.364 nan 8.210 nan 0.000 0.445 37 A N 6.231 129.071 122.820 0.033 0.000 2.425 37 A HA 0.565 4.912 4.320 0.045 0.000 0.242 37 A C -0.701 176.908 177.584 0.041 0.000 1.077 37 A CA 0.129 52.187 52.037 0.034 0.000 0.781 37 A CB 0.389 19.414 19.000 0.041 0.000 1.020 37 A HN 0.495 nan 8.150 nan 0.000 0.494 38 L N 1.471 122.713 121.223 0.032 0.000 2.376 38 L HA 0.576 4.943 4.340 0.045 0.000 0.258 38 L C -1.690 175.182 176.870 0.003 0.000 1.013 38 L CA -1.369 53.490 54.840 0.031 0.000 0.822 38 L CB 1.890 43.959 42.059 0.017 0.000 1.388 38 L HN 0.578 nan 8.230 nan 0.000 0.413 39 P HA 0.260 nan 4.420 nan 0.000 0.253 39 P C -0.496 176.730 177.300 -0.124 0.000 1.260 39 P CA 0.326 63.356 63.100 -0.116 0.000 0.800 39 P CB 0.937 32.398 31.700 -0.399 0.000 1.162 40 A N -0.473 122.295 122.820 -0.087 0.000 2.564 40 A HA 0.534 4.881 4.320 0.045 0.000 0.291 40 A C -0.653 176.908 177.584 -0.039 0.000 1.102 40 A CA -0.445 51.553 52.037 -0.066 0.000 0.660 40 A CB 0.503 19.452 19.000 -0.085 0.000 1.283 40 A HN -0.177 nan 8.150 nan 0.000 0.430 41 D N -0.173 120.208 120.400 -0.031 0.000 2.514 41 D HA 0.163 4.830 4.640 0.045 0.000 0.225 41 D C 0.249 176.538 176.300 -0.018 0.000 1.159 41 D CA 1.347 55.334 54.000 -0.021 0.000 0.823 41 D CB 1.103 41.892 40.800 -0.017 0.000 1.097 41 D HN 0.795 nan 8.370 nan 0.000 0.519 42 T N -2.257 112.285 114.554 -0.021 0.000 2.924 42 T HA 0.312 4.689 4.350 0.045 0.000 0.291 42 T C 1.335 176.023 174.700 -0.020 0.000 1.045 42 T CA -0.601 61.490 62.100 -0.016 0.000 1.015 42 T CB 2.354 71.214 68.868 -0.014 0.000 1.103 42 T HN -0.221 nan 8.240 nan 0.000 0.496 43 V N 0.530 120.435 119.914 -0.015 0.000 2.332 43 V HA -0.124 4.024 4.120 0.045 0.000 0.248 43 V C 2.230 178.311 176.094 -0.021 0.000 1.055 43 V CA 2.461 64.750 62.300 -0.019 0.000 1.038 43 V CB -0.924 30.890 31.823 -0.014 0.000 0.651 43 V HN 1.036 nan 8.190 nan 0.000 0.450 44 E N -0.787 119.404 120.200 -0.015 0.000 2.077 44 E HA -0.240 4.137 4.350 0.045 0.000 0.193 44 E C 2.279 178.869 176.600 -0.017 0.000 0.989 44 E CA 1.426 57.819 56.400 -0.011 0.000 0.800 44 E CB -0.109 29.588 29.700 -0.005 0.000 0.746 44 E HN 0.659 nan 8.360 nan 0.000 0.452 45 E N 0.650 120.836 120.200 -0.024 0.000 2.152 45 E HA -0.100 4.278 4.350 0.045 0.000 0.192 45 E C 2.207 178.773 176.600 -0.057 0.000 0.983 45 E CA 0.196 56.575 56.400 -0.034 0.000 0.818 45 E CB -0.085 29.594 29.700 -0.035 0.000 0.758 45 E HN 0.328 nan 8.360 nan 0.000 0.467 46 L N 0.269 121.456 121.223 -0.060 0.000 2.017 46 L HA -0.176 4.191 4.340 0.045 0.000 0.208 46 L C 2.681 179.506 176.870 -0.075 0.000 1.073 46 L CA 1.175 55.964 54.840 -0.084 0.000 0.745 46 L CB -0.274 41.743 42.059 -0.069 0.000 0.894 46 L HN 0.106 nan 8.230 nan 0.000 0.432 47 R N -0.140 120.332 120.500 -0.047 0.000 2.103 47 R HA -0.204 4.164 4.340 0.045 0.000 0.242 47 R C 1.914 178.212 176.300 -0.003 0.000 1.142 47 R CA 1.744 57.831 56.100 -0.022 0.000 0.960 47 R CB -0.390 29.909 30.300 -0.002 0.000 0.858 47 R HN 0.489 nan 8.270 nan 0.000 0.439 48 N N 0.486 119.180 118.700 -0.009 0.000 2.188 48 N HA -0.130 4.638 4.740 0.045 0.000 0.184 48 N C 1.742 177.250 175.510 -0.004 0.000 1.018 48 N CA 0.924 53.979 53.050 0.008 0.000 0.858 48 N CB -0.108 38.382 38.487 0.004 0.000 0.989 48 N HN 0.202 nan 8.380 nan 0.000 0.426 49 I N 0.544 121.077 120.570 -0.062 0.000 2.296 49 I HA -0.025 4.172 4.170 0.045 0.000 0.242 49 I C 1.901 177.971 176.117 -0.078 0.000 1.087 49 I CA 0.532 61.758 61.300 -0.123 0.000 1.393 49 I CB 0.099 37.928 38.000 -0.284 0.000 1.093 49 I HN -0.042 nan 8.210 nan 0.000 0.421 50 I N 0.504 121.025 120.570 -0.080 0.000 2.142 50 I HA -0.131 4.066 4.170 0.045 0.000 0.240 50 I C 1.604 177.774 176.117 0.089 0.000 1.078 50 I CA 0.836 62.182 61.300 0.076 0.000 1.343 50 I CB -1.183 36.831 38.000 0.023 0.000 1.046 50 I HN 0.275 nan 8.210 nan 0.000 0.405 51 G N 1.598 110.432 108.800 0.056 0.000 2.699 51 G HA2 0.369 4.356 3.960 0.045 0.000 0.246 51 G HA3 0.369 4.356 3.960 0.045 0.000 0.246 51 G C -0.285 174.702 174.900 0.145 0.000 1.219 51 G CA -0.231 44.933 45.100 0.105 0.000 0.866 51 G HN 0.283 nan 8.290 nan 0.000 0.572 52 M N -0.465 119.254 119.600 0.198 0.000 2.465 52 M HA 0.428 4.935 4.480 0.045 0.000 0.284 52 M C -1.446 174.977 176.300 0.205 0.000 1.212 52 M CA -0.849 54.562 55.300 0.186 0.000 0.910 52 M CB 2.693 35.416 32.600 0.204 0.000 1.725 52 M HN 0.466 nan 8.290 nan 0.000 0.477 53 D N 0.479 120.982 120.400 0.172 0.000 2.540 53 D HA 0.145 4.812 4.640 0.045 0.000 0.229 53 D C -0.421 175.987 176.300 0.180 0.000 1.250 53 D CA -0.186 53.947 54.000 0.220 0.000 0.817 53 D CB 1.140 42.090 40.800 0.251 0.000 1.060 53 D HN 0.574 nan 8.370 nan 0.000 0.508 54 K N 1.925 122.367 120.400 0.069 0.000 2.422 54 K HA 0.397 4.744 4.320 0.045 0.000 0.251 54 K C -3.243 173.262 176.600 -0.159 0.000 0.933 54 K CA -1.778 54.492 56.287 -0.028 0.000 0.798 54 K CB 2.695 35.204 32.500 0.015 0.000 1.238 54 K HN -0.344 nan 8.250 nan 0.000 0.428 55 P HA 0.069 nan 4.420 nan 0.000 0.262 55 P C -0.641 176.564 177.300 -0.157 0.000 1.182 55 P CA 0.222 63.102 63.100 -0.367 0.000 0.761 55 P CB 0.403 31.817 31.700 -0.478 0.000 0.795 56 L N 1.208 122.381 121.223 -0.084 0.000 2.298 56 L HA 0.500 4.867 4.340 0.045 0.000 0.268 56 L C 1.029 177.892 176.870 -0.012 0.000 1.010 56 L CA -0.945 53.892 54.840 -0.005 0.000 0.812 56 L CB 1.459 43.573 42.059 0.091 0.000 1.331 56 L HN 0.340 nan 8.230 nan 0.000 0.450 57 S N -0.047 115.662 115.700 0.015 0.000 2.617 57 S HA 0.088 4.585 4.470 0.045 0.000 0.259 57 S C 0.733 175.383 174.600 0.084 0.000 1.301 57 S CA -0.346 57.867 58.200 0.022 0.000 0.984 57 S CB 0.721 63.932 63.200 0.019 0.000 0.954 57 S HN 0.544 nan 8.310 nan 0.000 0.572 58 L N 1.423 122.690 121.223 0.074 0.000 2.056 58 L HA 0.206 4.574 4.340 0.045 0.000 0.207 58 L C -1.107 175.874 176.870 0.186 0.000 1.078 58 L CA 1.511 56.438 54.840 0.145 0.000 0.749 58 L CB -1.632 40.474 42.059 0.079 0.000 0.901 58 L HN 0.545 nan 8.230 nan 0.000 0.433 59 P HA -0.066 nan 4.420 nan 0.000 0.218 59 P C 1.590 178.927 177.300 0.062 0.000 1.149 59 P CA 1.666 64.802 63.100 0.060 0.000 0.817 59 P CB -0.333 31.380 31.700 0.023 0.000 0.785 60 G N -0.778 108.071 108.800 0.082 0.000 2.408 60 G HA2 -0.265 3.722 3.960 0.045 0.000 0.217 60 G HA3 -0.265 3.722 3.960 0.045 0.000 0.217 60 G C 1.396 176.369 174.900 0.122 0.000 1.150 60 G CA 0.272 45.417 45.100 0.075 0.000 0.776 60 G HN 0.239 nan 8.290 nan 0.000 0.542 61 F N 1.248 121.237 119.950 0.064 0.000 2.102 61 F HA 0.007 4.561 4.527 0.044 0.000 0.298 61 F C 2.314 178.221 175.800 0.178 0.000 1.105 61 F CA 1.265 59.338 58.000 0.122 0.000 1.239 61 F CB -0.170 38.920 39.000 0.151 0.000 0.991 61 F HN 0.043 nan 8.300 nan 0.000 0.474 62 L N 0.340 121.508 121.223 -0.092 0.000 2.141 62 L HA -0.152 4.215 4.340 0.045 0.000 0.209 62 L C 2.820 179.665 176.870 -0.042 0.000 1.094 62 L CA 0.933 55.680 54.840 -0.154 0.000 0.763 62 L CB -1.159 40.873 42.059 -0.044 0.000 0.908 62 L HN 0.302 nan 8.230 nan 0.000 0.437 63 A N -0.207 122.575 122.820 -0.064 0.000 2.084 63 A HA -0.203 4.144 4.320 0.045 0.000 0.221 63 A C 2.237 179.700 177.584 -0.202 0.000 1.161 63 A CA 1.353 53.329 52.037 -0.101 0.000 0.653 63 A CB -0.303 18.628 19.000 -0.114 0.000 0.802 63 A HN 0.231 nan 8.150 nan 0.000 0.457 64 K N -0.731 119.556 120.400 -0.187 0.000 2.103 64 K HA -0.146 4.202 4.320 0.045 0.000 0.207 64 K C 1.490 177.921 176.600 -0.280 0.000 1.048 64 K CA 1.216 57.384 56.287 -0.199 0.000 0.930 64 K CB -0.647 31.764 32.500 -0.148 0.000 0.716 64 K HN 0.575 nan 8.250 nan 0.000 0.444 65 F N 2.353 122.070 119.950 -0.389 0.000 2.120 65 F HA -0.217 4.337 4.527 0.044 0.000 0.300 65 F C 1.928 177.293 175.800 -0.726 0.000 1.095 65 F CA 1.431 59.033 58.000 -0.663 0.000 1.249 65 F CB -0.672 38.125 39.000 -0.339 0.000 0.995 65 F HN 0.078 nan 8.300 nan 0.000 0.480 66 D N -0.800 119.490 120.400 -0.184 0.000 2.191 66 D HA -0.251 4.416 4.640 0.045 0.000 0.195 66 D C 2.043 178.189 176.300 -0.256 0.000 1.003 66 D CA 1.533 55.444 54.000 -0.148 0.000 0.867 66 D CB -0.708 40.037 40.800 -0.091 0.000 0.926 66 D HN 0.272 nan 8.370 nan 0.000 0.450 67 Y N -0.620 119.555 120.300 -0.209 0.000 2.165 67 Y HA -0.202 4.375 4.550 0.045 0.000 0.286 67 Y C 2.101 177.942 175.900 -0.097 0.000 1.155 67 Y CA 1.151 59.194 58.100 -0.095 0.000 1.164 67 Y CB -0.680 37.790 38.460 0.017 0.000 0.978 67 Y HN 0.313 nan 8.280 nan 0.000 0.513 68 Y N -5.915 114.361 120.300 -0.041 0.000 2.512 68 Y HA 0.257 4.834 4.550 0.044 0.000 0.268 68 Y C 1.774 177.527 175.900 -0.245 0.000 1.102 68 Y CA -0.245 57.791 58.100 -0.106 0.000 1.261 68 Y CB -0.828 37.587 38.460 -0.075 0.000 1.250 68 Y HN -0.221 nan 8.280 nan 0.000 0.506 69 M N 1.611 120.748 119.600 -0.772 0.000 2.143 69 M HA -0.084 4.424 4.480 0.045 0.000 0.258 69 M C -0.843 175.014 176.300 -0.739 0.000 1.071 69 M CA 1.499 56.306 55.300 -0.822 0.000 1.088 69 M CB -2.146 29.524 32.600 -1.550 0.000 1.360 69 M HN 0.214 nan 8.290 nan 0.000 0.404 70 P HA -0.074 nan 4.420 nan 0.000 0.221 70 P C 1.786 179.004 177.300 -0.136 0.000 1.145 70 P CA 0.905 63.805 63.100 -0.334 0.000 0.795 70 P CB -0.019 31.601 31.700 -0.135 0.000 0.775 71 V N -0.946 118.912 119.914 -0.094 0.000 3.129 71 V HA -0.073 4.074 4.120 0.045 0.000 0.259 71 V C 1.891 177.967 176.094 -0.031 0.000 1.116 71 V CA 1.175 63.476 62.300 0.003 0.000 1.127 71 V CB -0.561 31.305 31.823 0.072 0.000 0.742 71 V HN 0.049 nan 8.190 nan 0.000 0.474 72 I N -0.199 120.316 120.570 -0.091 0.000 2.810 72 I HA 0.242 4.439 4.170 0.045 0.000 0.262 72 I C 1.508 177.545 176.117 -0.132 0.000 1.131 72 I CA 0.563 61.773 61.300 -0.150 0.000 1.453 72 I CB -1.111 36.839 38.000 -0.084 0.000 1.161 72 I HN 0.218 nan 8.210 nan 0.000 0.444 73 A N 1.019 123.782 122.820 -0.095 0.000 2.540 73 A HA 0.363 4.710 4.320 0.045 0.000 0.239 73 A C 1.525 179.112 177.584 0.006 0.000 1.061 73 A CA 0.891 52.928 52.037 -0.000 0.000 0.758 73 A CB -0.508 18.564 19.000 0.121 0.000 0.991 73 A HN 0.832 nan 8.150 nan 0.000 0.502 74 G N 0.104 108.911 108.800 0.011 0.000 2.155 74 G HA2 -0.234 3.753 3.960 0.045 0.000 0.257 74 G HA3 -0.234 3.753 3.960 0.045 0.000 0.257 74 G C 0.390 175.276 174.900 -0.023 0.000 0.983 74 G CA 0.593 45.697 45.100 0.007 0.000 0.676 74 G HN 1.881 nan 8.290 nan 0.000 0.528 75 C N 0.957 120.214 119.300 -0.071 0.000 2.291 75 C HA 0.683 5.170 4.460 0.045 0.000 0.322 75 C C 1.949 176.866 174.990 -0.121 0.000 1.205 75 C CA -0.554 58.407 59.018 -0.096 0.000 1.495 75 C CB -0.021 27.620 27.740 -0.164 0.000 2.127 75 C HN 0.524 nan 8.230 nan 0.000 0.452 76 R N 1.877 122.340 120.500 -0.061 0.000 2.081 76 R HA -0.144 4.223 4.340 0.045 0.000 0.235 76 R C 2.070 178.334 176.300 -0.060 0.000 1.131 76 R CA 1.875 57.943 56.100 -0.054 0.000 0.960 76 R CB -0.106 30.181 30.300 -0.021 0.000 0.856 76 R HN 0.867 nan 8.270 nan 0.000 0.436 77 E N 0.903 121.089 120.200 -0.022 0.000 2.110 77 E HA -0.198 4.180 4.350 0.045 0.000 0.193 77 E C 1.886 178.459 176.600 -0.045 0.000 0.988 77 E CA 1.227 57.655 56.400 0.046 0.000 0.804 77 E CB -0.003 29.821 29.700 0.205 0.000 0.745 77 E HN 0.375 nan 8.360 nan 0.000 0.458 78 A N 0.898 123.479 122.820 -0.398 0.000 1.897 78 A HA -0.097 4.250 4.320 0.045 0.000 0.215 78 A C 2.131 179.515 177.584 -0.335 0.000 1.181 78 A CA 1.051 52.574 52.037 -0.857 0.000 0.620 78 A CB -0.461 17.705 19.000 -1.390 0.000 0.821 78 A HN 0.300 nan 8.150 nan 0.000 0.443 79 I N -0.418 120.014 120.570 -0.230 0.000 2.163 79 I HA -0.258 3.939 4.170 0.045 0.000 0.240 79 I C 2.467 178.522 176.117 -0.103 0.000 1.081 79 I CA 1.495 62.700 61.300 -0.158 0.000 1.353 79 I CB -0.263 37.652 38.000 -0.142 0.000 1.054 79 I HN 0.242 nan 8.210 nan 0.000 0.407 80 K N 0.446 120.807 120.400 -0.064 0.000 2.063 80 K HA -0.247 4.100 4.320 0.045 0.000 0.208 80 K C 2.254 178.888 176.600 0.057 0.000 1.048 80 K CA 1.638 57.920 56.287 -0.008 0.000 0.928 80 K CB -0.232 32.269 32.500 0.000 0.000 0.713 80 K HN 0.196 nan 8.250 nan 0.000 0.442 81 R N 2.068 122.605 120.500 0.062 0.000 2.075 81 R HA -0.087 4.281 4.340 0.045 0.000 0.232 81 R C 2.195 178.602 176.300 0.178 0.000 1.126 81 R CA 1.286 57.476 56.100 0.150 0.000 0.963 81 R CB -0.527 29.902 30.300 0.215 0.000 0.858 81 R HN 0.340 nan 8.270 nan 0.000 0.435 82 I N -1.644 118.983 120.570 0.096 0.000 2.493 82 I HA 0.052 4.250 4.170 0.045 0.000 0.254 82 I C 2.107 178.298 176.117 0.122 0.000 1.160 82 I CA 1.424 62.785 61.300 0.101 0.000 1.445 82 I CB -0.427 37.597 38.000 0.041 0.000 1.086 82 I HN 0.200 nan 8.210 nan 0.000 0.433 83 A N 0.729 123.603 122.820 0.091 0.000 1.898 83 A HA -0.143 4.204 4.320 0.045 0.000 0.214 83 A C 2.320 180.030 177.584 0.210 0.000 1.183 83 A CA 1.164 53.255 52.037 0.090 0.000 0.622 83 A CB -1.061 17.938 19.000 -0.002 0.000 0.824 83 A HN 0.618 nan 8.150 nan 0.000 0.444 84 Y N 1.116 121.481 120.300 0.110 0.000 2.145 84 Y HA -0.207 4.367 4.550 0.040 0.000 0.286 84 Y C 2.173 178.169 175.900 0.160 0.000 1.145 84 Y CA 2.339 60.531 58.100 0.154 0.000 1.148 84 Y CB -0.166 38.373 38.460 0.130 0.000 0.981 84 Y HN 0.448 nan 8.280 nan 0.000 0.507 85 E N -0.663 119.634 120.200 0.161 0.000 2.268 85 E HA -0.175 4.202 4.350 0.045 0.000 0.195 85 E C 1.828 178.382 176.600 -0.078 0.000 0.995 85 E CA 0.824 57.221 56.400 -0.005 0.000 0.836 85 E CB -0.382 29.377 29.700 0.098 0.000 0.763 85 E HN 0.543 nan 8.360 nan 0.000 0.491 86 F N 1.494 121.394 119.950 -0.084 0.000 2.102 86 F HA -0.241 4.312 4.527 0.043 0.000 0.298 86 F C 2.034 177.741 175.800 -0.154 0.000 1.105 86 F CA 1.242 59.189 58.000 -0.088 0.000 1.239 86 F CB -0.240 38.737 39.000 -0.038 0.000 0.991 86 F HN -0.206 nan 8.300 nan 0.000 0.474 87 V N 0.523 120.343 119.914 -0.156 0.000 2.343 87 V HA -0.310 3.837 4.120 0.045 0.000 0.247 87 V C 2.368 178.102 176.094 -0.600 0.000 1.051 87 V CA 2.152 64.288 62.300 -0.273 0.000 1.036 87 V CB -1.002 30.811 31.823 -0.017 0.000 0.654 87 V HN 0.457 nan 8.190 nan 0.000 0.451 88 E N -0.085 119.587 120.200 -0.881 0.000 2.070 88 E HA -0.301 4.076 4.350 0.045 0.000 0.197 88 E C 2.221 178.339 176.600 -0.803 0.000 1.004 88 E CA 2.091 57.650 56.400 -1.401 0.000 0.805 88 E CB -0.179 28.908 29.700 -1.023 0.000 0.744 88 E HN 0.556 nan 8.360 nan 0.000 0.451 89 M N 0.050 119.316 119.600 -0.555 0.000 2.099 89 M HA -0.145 4.362 4.480 0.045 0.000 0.262 89 M C 2.239 178.288 176.300 -0.417 0.000 1.067 89 M CA 1.350 56.403 55.300 -0.411 0.000 1.124 89 M CB 0.025 32.423 32.600 -0.337 0.000 1.353 89 M HN -0.070 nan 8.290 nan 0.000 0.410 90 K N 0.126 120.199 120.400 -0.546 0.000 2.148 90 K HA -0.015 4.332 4.320 0.045 0.000 0.204 90 K C 2.032 178.451 176.600 -0.302 0.000 1.050 90 K CA 1.432 57.457 56.287 -0.436 0.000 0.942 90 K CB -0.624 31.544 32.500 -0.552 0.000 0.724 90 K HN 0.331 nan 8.250 nan 0.000 0.446 91 A N 1.844 124.463 122.820 -0.334 0.000 1.883 91 A HA -0.217 4.131 4.320 0.045 0.000 0.217 91 A C 2.149 179.616 177.584 -0.196 0.000 1.186 91 A CA 1.877 53.776 52.037 -0.230 0.000 0.624 91 A CB -0.381 18.479 19.000 -0.234 0.000 0.822 91 A HN 0.164 nan 8.150 nan 0.000 0.444 92 K N 0.076 120.329 120.400 -0.245 0.000 2.160 92 K HA -0.145 4.202 4.320 0.045 0.000 0.206 92 K C 1.598 178.108 176.600 -0.149 0.000 1.047 92 K CA 1.722 57.902 56.287 -0.180 0.000 0.930 92 K CB -0.155 32.230 32.500 -0.192 0.000 0.720 92 K HN 0.694 nan 8.250 nan 0.000 0.450 93 E N -1.206 118.895 120.200 -0.165 0.000 2.489 93 E HA 0.086 4.463 4.350 0.045 0.000 0.193 93 E C 0.426 176.941 176.600 -0.142 0.000 1.057 93 E CA 0.349 56.663 56.400 -0.145 0.000 0.866 93 E CB 0.411 30.027 29.700 -0.140 0.000 0.916 93 E HN 0.410 nan 8.360 nan 0.000 0.500 94 G N 1.425 110.147 108.800 -0.129 0.000 2.182 94 G HA2 -0.257 3.730 3.960 0.045 0.000 0.248 94 G HA3 -0.257 3.730 3.960 0.045 0.000 0.248 94 G C 0.112 174.959 174.900 -0.089 0.000 1.042 94 G CA 0.003 45.035 45.100 -0.113 0.000 0.775 94 G HN 0.155 nan 8.290 nan 0.000 0.501 95 V N 0.858 120.722 119.914 -0.083 0.000 2.432 95 V HA 0.379 4.526 4.120 0.045 0.000 0.275 95 V C 1.732 177.817 176.094 -0.016 0.000 1.043 95 V CA 0.148 62.422 62.300 -0.043 0.000 0.925 95 V CB 1.506 33.287 31.823 -0.069 0.000 0.985 95 V HN 0.814 nan 8.190 nan 0.000 0.466 96 V N 2.486 122.420 119.914 0.033 0.000 3.174 96 V HA 0.266 4.413 4.120 0.045 0.000 0.254 96 V C 0.198 176.379 176.094 0.145 0.000 1.120 96 V CA 0.569 62.907 62.300 0.062 0.000 1.114 96 V CB -0.451 31.400 31.823 0.046 0.000 0.756 96 V HN 0.676 nan 8.190 nan 0.000 0.467 97 Y N -0.138 120.170 120.300 0.014 0.000 2.433 97 Y HA 0.737 5.311 4.550 0.040 0.000 0.337 97 Y C -1.214 174.716 175.900 0.050 0.000 1.026 97 Y CA -1.428 56.689 58.100 0.028 0.000 1.037 97 Y CB 2.091 40.558 38.460 0.013 0.000 1.245 97 Y HN -0.027 nan 8.280 nan 0.000 0.443 98 V N 5.936 125.394 119.914 -0.761 0.000 2.888 98 V HA 0.555 4.702 4.120 0.045 0.000 0.309 98 V C -1.603 174.166 176.094 -0.542 0.000 1.114 98 V CA -0.466 61.553 62.300 -0.469 0.000 0.940 98 V CB 2.230 34.019 31.823 -0.057 0.000 1.021 98 V HN 0.873 nan 8.190 nan 0.000 0.426 99 E N 3.873 123.875 120.200 -0.331 0.000 2.133 99 E HA 0.554 4.931 4.350 0.045 0.000 0.274 99 E C -1.283 175.281 176.600 -0.060 0.000 0.930 99 E CA -0.407 55.900 56.400 -0.155 0.000 0.770 99 E CB 2.318 31.977 29.700 -0.070 0.000 1.104 99 E HN 0.542 nan 8.360 nan 0.000 0.403 100 V N 4.677 124.550 119.914 -0.069 0.000 2.459 100 V HA 0.507 4.654 4.120 0.045 0.000 0.295 100 V C -0.699 175.340 176.094 -0.092 0.000 1.029 100 V CA -0.579 61.614 62.300 -0.178 0.000 0.874 100 V CB 1.282 32.755 31.823 -0.583 0.000 0.985 100 V HN 0.693 nan 8.190 nan 0.000 0.438 101 R N 5.584 126.018 120.500 -0.112 0.000 2.732 101 R HA 0.792 5.159 4.340 0.045 0.000 0.278 101 R C -1.603 174.763 176.300 0.110 0.000 0.976 101 R CA -0.533 55.526 56.100 -0.068 0.000 0.963 101 R CB 1.946 32.111 30.300 -0.226 0.000 1.150 101 R HN 0.807 nan 8.270 nan 0.000 0.478 102 Y N -2.206 118.086 120.300 -0.013 0.000 2.689 102 Y HA 0.462 5.035 4.550 0.040 0.000 0.333 102 Y C -1.429 174.520 175.900 0.081 0.000 1.208 102 Y CA -1.347 56.795 58.100 0.070 0.000 1.055 102 Y CB 1.220 39.702 38.460 0.036 0.000 1.304 102 Y HN 0.633 nan 8.280 nan 0.000 0.455 103 S N 3.090 118.863 115.700 0.121 0.000 2.422 103 S HA 0.410 4.907 4.470 0.045 0.000 0.298 103 S C -1.834 172.854 174.600 0.146 0.000 1.118 103 S CA -1.640 56.603 58.200 0.071 0.000 1.083 103 S CB 0.776 64.087 63.200 0.186 0.000 0.971 103 S HN 0.589 nan 8.310 nan 0.000 0.478 104 P HA -0.069 nan 4.420 nan 0.000 0.219 104 P C 0.602 177.795 177.300 -0.177 0.000 1.150 104 P CA 1.240 64.350 63.100 0.017 0.000 0.814 104 P CB -0.049 31.570 31.700 -0.136 0.000 0.787 105 H N -0.132 118.783 119.070 -0.259 0.000 2.387 105 H HA 0.018 4.603 4.556 0.048 0.000 0.299 105 H C 1.977 177.105 175.328 -0.333 0.000 1.090 105 H CA 0.945 56.646 56.048 -0.577 0.000 1.332 105 H CB -1.024 27.840 29.762 -1.498 0.000 1.386 105 H HN 0.046 nan 8.280 nan 0.000 0.516 106 L N 0.209 121.461 121.223 0.049 0.000 2.549 106 L HA -0.056 4.311 4.340 0.045 0.000 0.229 106 L C 0.845 177.938 176.870 0.372 0.000 1.158 106 L CA 0.621 55.616 54.840 0.258 0.000 0.842 106 L CB 0.018 42.309 42.059 0.387 0.000 0.952 106 L HN 0.330 nan 8.230 nan 0.000 0.452 107 L N -1.113 120.221 121.223 0.185 0.000 2.858 107 L HA 0.352 4.719 4.340 0.045 0.000 0.251 107 L C 0.875 177.781 176.870 0.061 0.000 1.149 107 L CA -0.400 54.524 54.840 0.139 0.000 0.955 107 L CB 0.307 42.411 42.059 0.076 0.000 1.289 107 L HN 0.050 nan 8.230 nan 0.000 0.542 108 A N 0.926 123.754 122.820 0.014 0.000 2.279 108 A HA 0.436 4.783 4.320 0.045 0.000 0.303 108 A C 0.477 178.072 177.584 0.018 0.000 1.108 108 A CA -0.399 51.620 52.037 -0.031 0.000 0.830 108 A CB 0.275 19.198 19.000 -0.128 0.000 1.106 108 A HN 0.489 nan 8.150 nan 0.000 0.493 109 N N -0.528 118.179 118.700 0.012 0.000 2.305 109 N HA 0.212 4.979 4.740 0.045 0.000 0.248 109 N C -0.529 174.992 175.510 0.019 0.000 1.290 109 N CA -0.000 53.070 53.050 0.034 0.000 0.873 109 N CB 0.835 39.352 38.487 0.049 0.000 1.261 109 N HN 0.375 nan 8.380 nan 0.000 0.504 110 S N 0.953 116.652 115.700 -0.001 0.000 2.541 110 S HA 0.218 4.715 4.470 0.045 0.000 0.271 110 S C -0.892 173.702 174.600 -0.011 0.000 1.133 110 S CA -0.553 57.648 58.200 0.001 0.000 0.876 110 S CB 0.827 64.026 63.200 -0.001 0.000 1.105 110 S HN 0.225 nan 8.310 nan 0.000 0.470 111 K N 0.669 121.072 120.400 0.005 0.000 3.356 111 K HA -0.170 4.177 4.320 0.045 0.000 0.270 111 K C -0.611 175.994 176.600 0.009 0.000 0.901 111 K CA 0.715 57.009 56.287 0.011 0.000 0.688 111 K CB -2.236 30.266 32.500 0.003 0.000 1.460 111 K HN 0.692 nan 8.250 nan 0.000 0.458 112 V N 0.446 120.377 119.914 0.029 0.000 2.668 112 V HA 0.494 4.641 4.120 0.045 0.000 0.304 112 V C -1.705 174.479 176.094 0.150 0.000 1.071 112 V CA -0.814 61.515 62.300 0.048 0.000 0.894 112 V CB 2.291 34.068 31.823 -0.077 0.000 1.008 112 V HN 0.385 nan 8.190 nan 0.000 0.425 113 D N 7.847 128.417 120.400 0.284 0.000 2.863 113 D HA 0.648 5.315 4.640 0.045 0.000 0.245 113 D C -2.732 173.774 176.300 0.342 0.000 1.211 113 D CA -1.409 52.735 54.000 0.240 0.000 0.888 113 D CB 3.113 43.997 40.800 0.141 0.000 1.483 113 D HN 0.476 nan 8.370 nan 0.000 0.533 114 P HA 0.198 nan 4.420 nan 0.000 0.275 114 P C -0.280 177.134 177.300 0.190 0.000 1.228 114 P CA -0.644 62.537 63.100 0.135 0.000 0.786 114 P CB 0.614 32.336 31.700 0.036 0.000 0.927 115 M N 5.225 124.887 119.600 0.103 0.000 2.356 115 M HA 0.189 4.697 4.480 0.045 0.000 0.348 115 M C -2.234 174.082 176.300 0.027 0.000 1.595 115 M CA -1.930 53.417 55.300 0.078 0.000 1.095 115 M CB -0.650 31.985 32.600 0.058 0.000 1.963 115 M HN 0.153 nan 8.290 nan 0.000 0.459 116 P HA 0.031 nan 4.420 nan 0.000 0.269 116 P C -0.815 176.348 177.300 -0.228 0.000 1.209 116 P CA 0.360 63.264 63.100 -0.326 0.000 0.776 116 P CB 0.015 31.457 31.700 -0.430 0.000 0.876 117 W N 0.145 121.488 121.300 0.073 0.000 3.834 117 W HA -0.229 4.457 4.660 0.043 0.000 0.320 117 W C 0.365 176.905 176.519 0.036 0.000 1.201 117 W CA 0.284 57.654 57.345 0.041 0.000 0.701 117 W CB -3.095 26.386 29.460 0.035 0.000 2.264 117 W HN 0.453 nan 8.180 nan 0.000 1.413 118 N N -0.513 118.260 118.700 0.122 0.000 2.708 118 N HA -0.227 4.540 4.740 0.045 0.000 0.249 118 N C 0.357 175.933 175.510 0.111 0.000 1.097 118 N CA 1.922 55.030 53.050 0.096 0.000 0.710 118 N CB -1.135 37.405 38.487 0.088 0.000 1.032 118 N HN 0.641 nan 8.380 nan 0.000 0.551 119 Q N 0.057 119.937 119.800 0.133 0.000 2.421 119 Q HA 0.161 4.528 4.340 0.045 0.000 0.255 119 Q C 0.356 176.402 176.000 0.077 0.000 1.013 119 Q CA 0.385 56.258 55.803 0.116 0.000 0.895 119 Q CB 0.508 29.328 28.738 0.137 0.000 1.271 119 Q HN 0.091 nan 8.270 nan 0.000 0.460 120 T N 2.725 117.318 114.554 0.064 0.000 2.870 120 T HA -0.003 4.375 4.350 0.045 0.000 0.300 120 T C 0.069 174.797 174.700 0.045 0.000 0.989 120 T CA -0.468 61.661 62.100 0.048 0.000 1.139 120 T CB 0.444 69.337 68.868 0.041 0.000 0.920 120 T HN 0.355 nan 8.240 nan 0.000 0.537 121 E N 1.798 122.021 120.200 0.038 0.000 2.966 121 E HA -0.002 4.375 4.350 0.045 0.000 0.254 121 E C 0.612 177.229 176.600 0.029 0.000 0.923 121 E CA 0.544 56.963 56.400 0.032 0.000 0.960 121 E CB 0.411 30.127 29.700 0.027 0.000 0.901 121 E HN 0.853 nan 8.360 nan 0.000 0.525 122 G N 2.333 111.148 108.800 0.026 0.000 3.252 122 G HA2 0.182 4.170 3.960 0.045 0.000 0.181 122 G HA3 0.182 4.170 3.960 0.045 0.000 0.181 122 G C -0.054 174.854 174.900 0.014 0.000 1.187 122 G CA 0.057 45.169 45.100 0.021 0.000 0.886 122 G HN 0.517 nan 8.290 nan 0.000 0.615 123 D N -1.274 119.132 120.400 0.010 0.000 2.469 123 D HA 0.100 4.767 4.640 0.045 0.000 0.215 123 D C 0.134 176.433 176.300 -0.001 0.000 1.154 123 D CA -0.105 53.898 54.000 0.006 0.000 0.832 123 D CB 0.413 41.217 40.800 0.008 0.000 1.008 123 D HN 0.133 nan 8.370 nan 0.000 0.506 124 V N 2.500 122.411 119.914 -0.005 0.000 2.304 124 V HA 0.311 4.458 4.120 0.045 0.000 0.262 124 V C 0.900 176.975 176.094 -0.031 0.000 1.061 124 V CA -0.402 61.887 62.300 -0.017 0.000 0.872 124 V CB 0.030 31.842 31.823 -0.018 0.000 1.077 124 V HN 0.329 nan 8.190 nan 0.000 0.480 125 T N 3.164 117.696 114.554 -0.037 0.000 2.828 125 T HA 0.273 4.650 4.350 0.045 0.000 0.290 125 T C -1.618 173.015 174.700 -0.112 0.000 1.019 125 T CA -1.605 60.457 62.100 -0.064 0.000 1.031 125 T CB 1.274 70.117 68.868 -0.042 0.000 1.001 125 T HN 0.333 nan 8.240 nan 0.000 0.531 126 P HA -0.090 nan 4.420 nan 0.000 0.218 126 P C 1.328 178.527 177.300 -0.168 0.000 1.148 126 P CA 0.831 63.744 63.100 -0.311 0.000 0.822 126 P CB 0.009 31.303 31.700 -0.676 0.000 0.784 127 D N -0.500 119.852 120.400 -0.080 0.000 2.144 127 D HA -0.175 4.492 4.640 0.045 0.000 0.199 127 D C 1.235 177.548 176.300 0.021 0.000 0.984 127 D CA 1.148 55.170 54.000 0.037 0.000 0.834 127 D CB -0.243 40.608 40.800 0.084 0.000 0.955 127 D HN 0.038 nan 8.370 nan 0.000 0.465 128 D N 0.143 120.536 120.400 -0.011 0.000 2.117 128 D HA -0.120 4.547 4.640 0.045 0.000 0.197 128 D C 2.336 178.603 176.300 -0.054 0.000 0.987 128 D CA 0.455 54.445 54.000 -0.017 0.000 0.829 128 D CB -0.270 40.519 40.800 -0.019 0.000 0.961 128 D HN 0.146 nan 8.370 nan 0.000 0.460 129 V N 0.974 120.848 119.914 -0.066 0.000 2.282 129 V HA -0.245 3.903 4.120 0.045 0.000 0.249 129 V C 2.705 178.750 176.094 -0.082 0.000 1.057 129 V CA 1.224 63.485 62.300 -0.066 0.000 1.032 129 V CB -0.565 31.239 31.823 -0.031 0.000 0.645 129 V HN 0.062 nan 8.190 nan 0.000 0.447 130 V N 0.451 120.301 119.914 -0.106 0.000 2.295 130 V HA -0.291 3.856 4.120 0.045 0.000 0.246 130 V C 2.334 178.214 176.094 -0.357 0.000 1.049 130 V CA 2.415 64.588 62.300 -0.211 0.000 1.024 130 V CB -0.758 30.796 31.823 -0.448 0.000 0.648 130 V HN 0.651 nan 8.190 nan 0.000 0.447 131 D N 0.011 120.202 120.400 -0.349 0.000 2.117 131 D HA -0.151 4.516 4.640 0.045 0.000 0.197 131 D C 2.023 178.261 176.300 -0.103 0.000 0.987 131 D CA 1.339 55.220 54.000 -0.199 0.000 0.829 131 D CB -0.175 40.616 40.800 -0.015 0.000 0.961 131 D HN 0.379 nan 8.370 nan 0.000 0.460 132 L N -0.445 120.722 121.223 -0.094 0.000 2.046 132 L HA -0.148 4.219 4.340 0.045 0.000 0.208 132 L C 2.575 179.389 176.870 -0.095 0.000 1.077 132 L CA 0.706 55.500 54.840 -0.076 0.000 0.747 132 L CB -0.324 41.688 42.059 -0.079 0.000 0.896 132 L HN 0.038 nan 8.230 nan 0.000 0.432 133 V N -0.199 119.623 119.914 -0.153 0.000 2.453 133 V HA -0.230 3.917 4.120 0.045 0.000 0.247 133 V C 1.989 178.025 176.094 -0.096 0.000 1.048 133 V CA 1.863 64.049 62.300 -0.191 0.000 1.049 133 V CB -0.806 30.775 31.823 -0.403 0.000 0.672 133 V HN 0.488 nan 8.190 nan 0.000 0.457 134 N N 0.022 118.669 118.700 -0.088 0.000 2.018 134 N HA -0.279 4.488 4.740 0.045 0.000 0.196 134 N C 1.928 177.446 175.510 0.013 0.000 1.043 134 N CA 1.714 54.745 53.050 -0.031 0.000 0.856 134 N CB -0.232 38.225 38.487 -0.050 0.000 1.042 134 N HN 0.557 nan 8.380 nan 0.000 0.423 135 Q N -0.036 119.767 119.800 0.005 0.000 2.062 135 Q HA -0.183 4.184 4.340 0.045 0.000 0.209 135 Q C 2.379 178.416 176.000 0.062 0.000 0.996 135 Q CA 1.671 57.492 55.803 0.030 0.000 0.859 135 Q CB -0.425 28.322 28.738 0.014 0.000 0.920 135 Q HN 0.512 nan 8.270 nan 0.000 0.415 136 G N 0.549 109.386 108.800 0.062 0.000 2.408 136 G HA2 -0.169 3.818 3.960 0.045 0.000 0.217 136 G HA3 -0.169 3.818 3.960 0.045 0.000 0.217 136 G C 1.415 176.432 174.900 0.195 0.000 1.150 136 G CA 0.448 45.634 45.100 0.143 0.000 0.776 136 G HN 0.159 nan 8.290 nan 0.000 0.542 137 L N -0.272 121.023 121.223 0.120 0.000 2.046 137 L HA -0.103 4.265 4.340 0.045 0.000 0.208 137 L C 3.072 180.025 176.870 0.138 0.000 1.077 137 L CA 1.179 56.099 54.840 0.133 0.000 0.747 137 L CB -0.495 41.623 42.059 0.098 0.000 0.896 137 L HN 0.240 nan 8.230 nan 0.000 0.432 138 Q N -0.148 119.721 119.800 0.114 0.000 2.123 138 Q HA -0.182 4.185 4.340 0.045 0.000 0.199 138 Q C 2.150 178.219 176.000 0.115 0.000 0.966 138 Q CA 1.215 57.079 55.803 0.102 0.000 0.845 138 Q CB -0.008 28.778 28.738 0.080 0.000 0.907 138 Q HN 0.492 nan 8.270 nan 0.000 0.439 139 E N 0.079 120.367 120.200 0.146 0.000 2.058 139 E HA -0.183 4.194 4.350 0.045 0.000 0.194 139 E C 2.064 178.833 176.600 0.282 0.000 0.997 139 E CA 0.977 57.489 56.400 0.188 0.000 0.801 139 E CB -0.278 29.536 29.700 0.190 0.000 0.746 139 E HN 0.481 nan 8.360 nan 0.000 0.450 140 G N 1.289 110.296 108.800 0.346 0.000 2.476 140 G HA2 -0.336 3.651 3.960 0.045 0.000 0.218 140 G HA3 -0.336 3.651 3.960 0.045 0.000 0.218 140 G C 1.289 176.295 174.900 0.177 0.000 1.164 140 G CA 1.121 46.340 45.100 0.200 0.000 0.768 140 G HN 0.256 nan 8.290 nan 0.000 0.560 141 E N 0.120 120.404 120.200 0.141 0.000 2.058 141 E HA -0.183 4.195 4.350 0.045 0.000 0.194 141 E C 2.690 179.321 176.600 0.050 0.000 0.997 141 E CA 1.231 57.695 56.400 0.106 0.000 0.801 141 E CB -0.177 29.582 29.700 0.099 0.000 0.746 141 E HN 0.543 nan 8.360 nan 0.000 0.450 142 Q N -0.081 119.738 119.800 0.030 0.000 2.234 142 Q HA -0.144 4.223 4.340 0.045 0.000 0.206 142 Q C 1.968 177.913 176.000 -0.092 0.000 0.980 142 Q CA 1.411 57.207 55.803 -0.011 0.000 0.869 142 Q CB -0.036 28.704 28.738 0.003 0.000 0.912 142 Q HN 0.248 nan 8.270 nan 0.000 0.436 143 A N -0.556 122.144 122.820 -0.201 0.000 1.911 143 A HA 0.027 4.374 4.320 0.045 0.000 0.212 143 A C 1.219 178.404 177.584 -0.666 0.000 1.189 143 A CA 0.624 52.349 52.037 -0.521 0.000 0.639 143 A CB 0.007 18.522 19.000 -0.808 0.000 0.839 143 A HN 0.334 nan 8.150 nan 0.000 0.449 144 F N -1.141 118.794 119.950 -0.025 0.000 2.706 144 F HA 0.407 4.961 4.527 0.044 0.000 0.308 144 F C 1.656 177.435 175.800 -0.035 0.000 1.095 144 F CA 0.140 58.109 58.000 -0.050 0.000 1.244 144 F CB 0.156 39.091 39.000 -0.107 0.000 1.063 144 F HN 0.298 nan 8.300 nan 0.000 0.582 145 G N 2.293 111.152 108.800 0.098 0.000 2.176 145 G HA2 -0.301 3.686 3.960 0.045 0.000 0.252 145 G HA3 -0.301 3.686 3.960 0.045 0.000 0.252 145 G C 0.146 175.090 174.900 0.073 0.000 1.024 145 G CA 0.491 45.632 45.100 0.067 0.000 0.755 145 G HN 0.552 nan 8.290 nan 0.000 0.507 146 I N -3.198 117.426 120.570 0.089 0.000 2.797 146 I HA 0.900 5.097 4.170 0.045 0.000 0.307 146 I C -0.082 176.095 176.117 0.100 0.000 1.033 146 I CA -1.814 59.531 61.300 0.075 0.000 1.071 146 I CB 1.785 39.806 38.000 0.035 0.000 1.255 146 I HN -0.013 nan 8.210 nan 0.000 0.445 147 K N 3.716 124.199 120.400 0.139 0.000 2.258 147 K HA 0.612 4.959 4.320 0.045 0.000 0.284 147 K C -1.532 175.172 176.600 0.173 0.000 1.051 147 K CA -0.349 56.059 56.287 0.202 0.000 0.923 147 K CB 1.248 33.930 32.500 0.304 0.000 1.046 147 K HN 0.602 nan 8.250 nan 0.000 0.474 148 V N 5.533 125.535 119.914 0.146 0.000 2.577 148 V HA 0.556 4.703 4.120 0.045 0.000 0.303 148 V C -0.435 175.724 176.094 0.108 0.000 1.042 148 V CA -0.992 61.353 62.300 0.074 0.000 0.872 148 V CB 1.621 33.521 31.823 0.128 0.000 0.998 148 V HN 0.787 nan 8.190 nan 0.000 0.423 149 R N 1.887 122.420 120.500 0.055 0.000 2.939 149 R HA 0.825 5.192 4.340 0.045 0.000 0.254 149 R C -0.401 175.943 176.300 0.073 0.000 1.123 149 R CA -0.658 55.513 56.100 0.118 0.000 1.020 149 R CB 2.216 32.649 30.300 0.221 0.000 1.206 149 R HN 0.846 nan 8.270 nan 0.000 0.491 150 S N -0.267 115.493 115.700 0.100 0.000 2.568 150 S HA 0.722 5.219 4.470 0.045 0.000 0.293 150 S C -0.211 174.432 174.600 0.072 0.000 1.089 150 S CA -0.791 57.466 58.200 0.095 0.000 0.945 150 S CB 1.499 64.796 63.200 0.161 0.000 1.077 150 S HN 0.449 nan 8.310 nan 0.000 0.485 151 I N 1.706 122.287 120.570 0.018 0.000 2.498 151 I HA 0.363 4.560 4.170 0.045 0.000 0.290 151 I C -1.023 174.987 176.117 -0.177 0.000 1.032 151 I CA -0.825 60.456 61.300 -0.030 0.000 1.073 151 I CB 1.849 39.853 38.000 0.007 0.000 1.251 151 I HN 0.516 nan 8.210 nan 0.000 0.426 152 L N 5.230 126.337 121.223 -0.193 0.000 2.289 152 L HA 0.458 4.825 4.340 0.045 0.000 0.285 152 L C -0.746 176.027 176.870 -0.161 0.000 1.049 152 L CA -0.602 54.050 54.840 -0.313 0.000 0.804 152 L CB 1.493 43.403 42.059 -0.249 0.000 1.195 152 L HN 0.591 nan 8.230 nan 0.000 0.428 153 C N 2.084 121.298 119.300 -0.144 0.000 2.273 153 C HA 0.342 4.829 4.460 0.045 0.000 0.328 153 C C 0.726 175.754 174.990 0.063 0.000 1.275 153 C CA -1.088 57.932 59.018 0.003 0.000 1.704 153 C CB 0.136 27.906 27.740 0.050 0.000 2.326 153 C HN 0.817 nan 8.230 nan 0.000 0.517 154 C N 5.204 124.554 119.300 0.083 0.000 2.679 154 C HA 0.254 4.741 4.460 0.045 0.000 0.417 154 C C 0.541 175.566 174.990 0.059 0.000 1.302 154 C CA -0.128 58.953 59.018 0.107 0.000 1.973 154 C CB -0.467 27.326 27.740 0.090 0.000 2.715 154 C HN 0.724 nan 8.230 nan 0.000 0.628 155 M N 2.520 122.165 119.600 0.075 0.000 2.294 155 M HA 0.309 4.816 4.480 0.045 0.000 0.335 155 M C 1.077 177.357 176.300 -0.034 0.000 1.079 155 M CA -0.218 55.083 55.300 0.001 0.000 0.982 155 M CB 1.181 33.778 32.600 -0.004 0.000 1.651 155 M HN 0.735 nan 8.290 nan 0.000 0.437 156 R N 0.641 121.135 120.500 -0.009 0.000 2.105 156 R HA -0.192 4.175 4.340 0.045 0.000 0.239 156 R C 1.649 178.155 176.300 0.343 0.000 1.135 156 R CA 2.141 58.296 56.100 0.091 0.000 0.967 156 R CB -0.325 29.991 30.300 0.027 0.000 0.861 156 R HN 0.786 nan 8.270 nan 0.000 0.442 157 H N -1.989 117.165 119.070 0.140 0.000 2.551 157 H HA 0.085 4.668 4.556 0.046 0.000 0.266 157 H C 0.526 175.809 175.328 -0.075 0.000 0.977 157 H CA 0.293 56.391 56.048 0.083 0.000 1.163 157 H CB 0.242 29.983 29.762 -0.034 0.000 1.381 157 H HN -0.049 nan 8.280 nan 0.000 0.581 158 Q N 1.375 120.842 119.800 -0.554 0.000 3.075 158 Q HA 0.237 4.604 4.340 0.045 0.000 0.318 158 Q C -2.098 173.634 176.000 -0.447 0.000 0.907 158 Q CA -2.386 52.945 55.803 -0.787 0.000 0.882 158 Q CB 1.232 29.004 28.738 -1.610 0.000 1.386 158 Q HN 0.278 nan 8.270 nan 0.000 0.408 159 P HA -0.114 nan 4.420 nan 0.000 0.230 159 P C 0.714 177.851 177.300 -0.272 0.000 1.158 159 P CA 0.881 63.681 63.100 -0.501 0.000 0.769 159 P CB 0.336 31.612 31.700 -0.706 0.000 0.807 160 S N -2.747 112.764 115.700 -0.316 0.000 2.555 160 S HA -0.054 4.443 4.470 0.045 0.000 0.230 160 S C 1.383 175.972 174.600 -0.019 0.000 0.978 160 S CA -0.021 58.065 58.200 -0.189 0.000 0.934 160 S CB -1.031 62.033 63.200 -0.227 0.000 0.766 160 S HN 0.100 nan 8.310 nan 0.000 0.533 161 W N 1.934 123.110 121.300 -0.206 0.000 3.077 161 W HA 0.446 5.135 4.660 0.049 0.000 0.266 161 W C 2.142 178.573 176.519 -0.147 0.000 1.300 161 W CA -0.791 56.358 57.345 -0.327 0.000 1.586 161 W CB -1.154 27.847 29.460 -0.765 0.000 1.103 161 W HN 0.318 nan 8.180 nan 0.000 0.652 162 S N 0.975 116.770 115.700 0.158 0.000 2.383 162 S HA -0.104 4.393 4.470 0.045 0.000 0.227 162 S C 1.968 176.636 174.600 0.114 0.000 1.026 162 S CA 0.837 59.145 58.200 0.180 0.000 0.981 162 S CB -0.423 62.963 63.200 0.310 0.000 0.818 162 S HN 0.163 nan 8.310 nan 0.000 0.472 163 L N 1.132 122.409 121.223 0.089 0.000 2.083 163 L HA -0.116 4.251 4.340 0.045 0.000 0.209 163 L C 2.688 179.599 176.870 0.067 0.000 1.083 163 L CA 1.303 56.178 54.840 0.059 0.000 0.752 163 L CB -0.372 41.714 42.059 0.045 0.000 0.899 163 L HN 0.388 nan 8.230 nan 0.000 0.433 164 E N -0.071 120.196 120.200 0.111 0.000 2.112 164 E HA -0.151 4.226 4.350 0.045 0.000 0.190 164 E C 2.254 178.935 176.600 0.135 0.000 0.979 164 E CA 0.823 57.301 56.400 0.131 0.000 0.814 164 E CB 0.241 30.064 29.700 0.205 0.000 0.762 164 E HN 0.228 nan 8.360 nan 0.000 0.460 165 V N 1.652 121.672 119.914 0.175 0.000 2.282 165 V HA -0.287 3.860 4.120 0.045 0.000 0.249 165 V C 2.491 178.601 176.094 0.027 0.000 1.057 165 V CA 1.771 64.139 62.300 0.114 0.000 1.032 165 V CB -0.583 31.305 31.823 0.107 0.000 0.645 165 V HN 0.367 nan 8.190 nan 0.000 0.447 166 L N 0.099 121.323 121.223 0.002 0.000 2.046 166 L HA -0.125 4.243 4.340 0.045 0.000 0.208 166 L C 2.442 179.298 176.870 -0.022 0.000 1.077 166 L CA 1.937 56.750 54.840 -0.045 0.000 0.747 166 L CB -0.804 41.215 42.059 -0.066 0.000 0.896 166 L HN 0.238 nan 8.230 nan 0.000 0.432 167 E N -0.058 120.145 120.200 0.004 0.000 2.110 167 E HA -0.189 4.189 4.350 0.045 0.000 0.193 167 E C 2.303 178.913 176.600 0.016 0.000 0.988 167 E CA 1.521 57.923 56.400 0.003 0.000 0.804 167 E CB -0.452 29.255 29.700 0.013 0.000 0.745 167 E HN 0.552 nan 8.360 nan 0.000 0.458 168 L N -0.113 121.142 121.223 0.052 0.000 2.109 168 L HA -0.169 4.198 4.340 0.045 0.000 0.207 168 L C 2.576 179.536 176.870 0.150 0.000 1.086 168 L CA 0.830 55.751 54.840 0.134 0.000 0.760 168 L CB -0.371 41.756 42.059 0.113 0.000 0.910 168 L HN 0.159 nan 8.230 nan 0.000 0.437 169 C N -0.118 119.215 119.300 0.054 0.000 2.413 169 C HA -0.162 4.325 4.460 0.045 0.000 0.277 169 C C 2.750 177.752 174.990 0.020 0.000 1.265 169 C CA 0.674 59.710 59.018 0.030 0.000 1.752 169 C CB -0.819 26.898 27.740 -0.038 0.000 1.998 169 C HN 0.438 nan 8.230 nan 0.000 0.489 170 K N 1.078 121.472 120.400 -0.010 0.000 2.025 170 K HA -0.149 4.198 4.320 0.045 0.000 0.207 170 K C 2.203 178.771 176.600 -0.053 0.000 1.049 170 K CA 1.201 57.468 56.287 -0.035 0.000 0.933 170 K CB -0.223 32.250 32.500 -0.045 0.000 0.714 170 K HN 0.419 nan 8.250 nan 0.000 0.438 171 K N 0.080 120.426 120.400 -0.090 0.000 2.063 171 K HA -0.167 4.180 4.320 0.045 0.000 0.208 171 K C 0.678 177.075 176.600 -0.339 0.000 1.048 171 K CA 1.509 57.643 56.287 -0.254 0.000 0.928 171 K CB 0.046 32.315 32.500 -0.384 0.000 0.713 171 K HN 0.144 nan 8.250 nan 0.000 0.442 172 Y N 0.677 120.976 120.300 -0.002 0.000 2.708 172 Y HA 0.200 4.760 4.550 0.017 0.000 0.287 172 Y C -0.109 175.802 175.900 0.018 0.000 1.145 172 Y CA -0.923 57.184 58.100 0.012 0.000 1.249 172 Y CB -0.023 38.448 38.460 0.019 0.000 1.152 172 Y HN 0.016 nan 8.280 nan 0.000 0.532 173 N N 1.968 120.728 118.700 0.101 0.000 2.440 173 N HA -0.070 4.697 4.740 0.045 0.000 0.265 173 N C 0.446 176.008 175.510 0.086 0.000 1.239 173 N CA 0.906 53.999 53.050 0.072 0.000 0.909 173 N CB 0.402 38.901 38.487 0.020 0.000 1.066 173 N HN 0.315 nan 8.380 nan 0.000 0.474 174 Q N 0.981 120.844 119.800 0.104 0.000 2.406 174 Q HA -0.226 4.141 4.340 0.045 0.000 0.236 174 Q C -0.855 175.214 176.000 0.116 0.000 0.799 174 Q CA 1.171 57.040 55.803 0.110 0.000 1.286 174 Q CB -1.303 27.489 28.738 0.090 0.000 1.615 174 Q HN 0.765 nan 8.270 nan 0.000 0.621 175 K N -0.542 119.941 120.400 0.138 0.000 3.200 175 K HA 0.242 4.589 4.320 0.045 0.000 0.179 175 K C 0.375 177.082 176.600 0.179 0.000 1.153 175 K CA 0.398 56.773 56.287 0.147 0.000 0.836 175 K CB 0.695 33.277 32.500 0.136 0.000 1.051 175 K HN 0.168 nan 8.250 nan 0.000 0.594 176 T N -3.338 111.292 114.554 0.126 0.000 3.129 176 T HA 0.137 4.514 4.350 0.045 0.000 0.267 176 T C 0.616 175.392 174.700 0.126 0.000 1.018 176 T CA -0.151 62.021 62.100 0.119 0.000 0.903 176 T CB 0.143 69.072 68.868 0.100 0.000 1.067 176 T HN -0.035 nan 8.240 nan 0.000 0.549 177 V N 3.647 123.638 119.914 0.128 0.000 2.405 177 V HA 0.206 4.353 4.120 0.045 0.000 0.264 177 V C 1.548 177.706 176.094 0.107 0.000 1.048 177 V CA -0.239 62.123 62.300 0.104 0.000 0.966 177 V CB 0.768 32.647 31.823 0.094 0.000 1.015 177 V HN 0.497 nan 8.190 nan 0.000 0.477 178 V N 2.059 122.046 119.914 0.123 0.000 3.644 178 V HA 0.770 4.917 4.120 0.045 0.000 0.267 178 V C 0.600 176.731 176.094 0.061 0.000 1.277 178 V CA 0.751 63.143 62.300 0.152 0.000 1.096 178 V CB -0.055 31.919 31.823 0.251 0.000 0.828 178 V HN 0.903 nan 8.190 nan 0.000 0.446 179 A N 0.228 123.048 122.820 0.000 0.000 2.586 179 A HA 0.795 5.142 4.320 0.045 0.000 0.290 179 A C -1.090 176.434 177.584 -0.100 0.000 1.086 179 A CA -0.461 51.487 52.037 -0.149 0.000 0.665 179 A CB 1.688 20.485 19.000 -0.339 0.000 1.279 179 A HN 0.372 nan 8.150 nan 0.000 0.423 180 M N 0.899 120.414 119.600 -0.142 0.000 2.508 180 M HA 0.643 5.151 4.480 0.045 0.000 0.327 180 M C -1.244 175.058 176.300 0.004 0.000 1.160 180 M CA -0.299 54.930 55.300 -0.118 0.000 0.980 180 M CB 1.697 34.141 32.600 -0.260 0.000 1.693 180 M HN 0.871 nan 8.290 nan 0.000 0.452 181 D N 2.440 122.882 120.400 0.071 0.000 2.493 181 D HA 0.625 5.292 4.640 0.045 0.000 0.239 181 D C -2.090 174.364 176.300 0.257 0.000 1.049 181 D CA -0.463 53.655 54.000 0.197 0.000 1.008 181 D CB 1.969 42.848 40.800 0.131 0.000 1.398 181 D HN 0.526 nan 8.370 nan 0.000 0.513 182 L N 1.602 122.992 121.223 0.278 0.000 2.406 182 L HA 0.850 5.217 4.340 0.045 0.000 0.270 182 L C -1.284 175.665 176.870 0.133 0.000 0.982 182 L CA -0.231 54.694 54.840 0.141 0.000 0.843 182 L CB 0.735 42.803 42.059 0.014 0.000 1.225 182 L HN 0.555 nan 8.230 nan 0.000 0.412 183 A N 2.860 125.686 122.820 0.010 0.000 2.443 183 A HA 1.051 5.398 4.320 0.045 0.000 0.278 183 A C 0.385 177.887 177.584 -0.136 0.000 1.252 183 A CA -0.128 51.787 52.037 -0.202 0.000 0.816 183 A CB 0.782 19.698 19.000 -0.140 0.000 1.369 183 A HN 1.876 nan 8.150 nan 0.000 0.446 184 G N -0.477 108.220 108.800 -0.171 0.000 2.466 184 G HA2 0.052 4.039 3.960 0.045 0.000 0.218 184 G HA3 0.052 4.039 3.960 0.045 0.000 0.218 184 G C -0.663 174.232 174.900 -0.010 0.000 1.237 184 G CA 0.261 45.330 45.100 -0.051 0.000 0.954 184 G HN 1.258 nan 8.290 nan 0.000 0.580 185 D N 0.934 121.355 120.400 0.035 0.000 2.435 185 D HA 0.320 4.987 4.640 0.045 0.000 0.230 185 D C 1.394 177.710 176.300 0.028 0.000 1.215 185 D CA 0.355 54.377 54.000 0.036 0.000 0.947 185 D CB 0.604 41.424 40.800 0.033 0.000 1.048 185 D HN 0.541 nan 8.370 nan 0.000 0.512 186 E N 1.528 121.742 120.200 0.022 0.000 2.273 186 E HA -0.216 4.161 4.350 0.045 0.000 0.198 186 E C 1.185 177.789 176.600 0.007 0.000 1.002 186 E CA 1.356 57.765 56.400 0.014 0.000 0.828 186 E CB 0.305 30.021 29.700 0.027 0.000 0.747 186 E HN 0.579 nan 8.360 nan 0.000 0.491 187 T N -1.631 112.932 114.554 0.016 0.000 3.148 187 T HA 0.101 4.478 4.350 0.045 0.000 0.253 187 T C 0.953 175.661 174.700 0.014 0.000 1.134 187 T CA -0.214 61.895 62.100 0.015 0.000 1.051 187 T CB -0.252 68.627 68.868 0.018 0.000 0.959 187 T HN 0.028 nan 8.240 nan 0.000 0.525 188 I N 2.994 123.574 120.570 0.018 0.000 2.576 188 I HA 0.069 4.266 4.170 0.045 0.000 0.288 188 I C 0.781 176.894 176.117 -0.006 0.000 1.126 188 I CA -0.218 61.105 61.300 0.039 0.000 1.362 188 I CB 0.152 38.209 38.000 0.094 0.000 1.419 188 I HN 0.405 nan 8.210 nan 0.000 0.533 189 E N 6.235 126.450 120.200 0.024 0.000 2.694 189 E HA -0.040 4.337 4.350 0.045 0.000 0.250 189 E C 1.235 177.814 176.600 -0.036 0.000 0.963 189 E CA 0.764 57.167 56.400 0.006 0.000 0.949 189 E CB 0.288 30.011 29.700 0.039 0.000 0.911 189 E HN 0.902 nan 8.360 nan 0.000 0.500 190 G N 3.395 112.137 108.800 -0.097 0.000 2.187 190 G HA2 -0.394 3.593 3.960 0.045 0.000 0.261 190 G HA3 -0.394 3.593 3.960 0.045 0.000 0.261 190 G C 0.867 175.456 174.900 -0.519 0.000 1.000 190 G CA 0.963 45.961 45.100 -0.169 0.000 0.718 190 G HN 0.795 nan 8.290 nan 0.000 0.519 191 S N -0.481 114.803 115.700 -0.692 0.000 2.402 191 S HA -0.050 4.447 4.470 0.045 0.000 0.229 191 S C 2.324 176.515 174.600 -0.682 0.000 1.021 191 S CA 1.744 59.141 58.200 -1.339 0.000 0.974 191 S CB -0.375 62.442 63.200 -0.640 0.000 0.800 191 S HN 0.764 nan 8.310 nan 0.000 0.484 192 S N 1.848 117.349 115.700 -0.332 0.000 2.440 192 S HA 0.070 4.567 4.470 0.045 0.000 0.238 192 S C 1.140 175.679 174.600 -0.102 0.000 1.010 192 S CA 0.880 58.980 58.200 -0.167 0.000 0.972 192 S CB -0.318 62.807 63.200 -0.126 0.000 0.774 192 S HN 0.350 nan 8.310 nan 0.000 0.501 193 L N 0.402 121.538 121.223 -0.146 0.000 2.667 193 L HA 0.413 4.780 4.340 0.045 0.000 0.232 193 L C -0.333 176.592 176.870 0.093 0.000 1.138 193 L CA -0.256 54.573 54.840 -0.018 0.000 0.921 193 L CB -1.343 40.711 42.059 -0.008 0.000 1.180 193 L HN 0.147 nan 8.230 nan 0.000 0.487 194 F N 1.506 121.469 119.950 0.021 0.000 2.563 194 F HA 0.138 4.692 4.527 0.044 0.000 0.363 194 F C -0.665 175.083 175.800 -0.085 0.000 1.123 194 F CA -2.070 55.886 58.000 -0.073 0.000 1.307 194 F CB -0.405 38.471 39.000 -0.205 0.000 1.115 194 F HN -0.060 nan 8.300 nan 0.000 0.592 195 P HA -0.118 nan 4.420 nan 0.000 0.215 195 P C 1.777 179.093 177.300 0.027 0.000 1.157 195 P CA 2.128 65.257 63.100 0.049 0.000 0.868 195 P CB 0.032 31.738 31.700 0.009 0.000 0.788 196 G N -0.676 108.094 108.800 -0.049 0.000 2.513 196 G HA2 -0.319 3.669 3.960 0.045 0.000 0.219 196 G HA3 -0.319 3.669 3.960 0.045 0.000 0.219 196 G C 1.212 176.159 174.900 0.078 0.000 1.160 196 G CA 1.355 46.427 45.100 -0.047 0.000 0.767 196 G HN 0.383 nan 8.290 nan 0.000 0.571 197 H N -0.658 118.505 119.070 0.156 0.000 2.326 197 H HA -0.006 4.576 4.556 0.045 0.000 0.301 197 H C 2.807 178.276 175.328 0.236 0.000 1.081 197 H CA 0.711 56.880 56.048 0.202 0.000 1.334 197 H CB -0.056 29.795 29.762 0.148 0.000 1.385 197 H HN 0.208 nan 8.280 nan 0.000 0.504 198 V N 1.309 121.377 119.914 0.257 0.000 2.287 198 V HA -0.277 3.870 4.120 0.045 0.000 0.248 198 V C 2.012 178.214 176.094 0.180 0.000 1.053 198 V CA 2.151 64.561 62.300 0.184 0.000 1.027 198 V CB -0.420 31.470 31.823 0.112 0.000 0.646 198 V HN 0.479 nan 8.190 nan 0.000 0.447 199 E N 0.068 120.349 120.200 0.135 0.000 2.106 199 E HA -0.134 4.243 4.350 0.045 0.000 0.192 199 E C 2.325 178.977 176.600 0.088 0.000 0.984 199 E CA 1.134 57.589 56.400 0.093 0.000 0.806 199 E CB -0.405 29.330 29.700 0.058 0.000 0.750 199 E HN 0.597 nan 8.360 nan 0.000 0.458 200 A N 0.810 123.697 122.820 0.112 0.000 1.873 200 A HA -0.243 4.104 4.320 0.045 0.000 0.218 200 A C 1.900 179.454 177.584 -0.050 0.000 1.193 200 A CA 1.623 53.680 52.037 0.033 0.000 0.629 200 A CB -0.951 18.080 19.000 0.051 0.000 0.826 200 A HN 0.297 nan 8.150 nan 0.000 0.447 201 Y N 0.045 120.373 120.300 0.046 0.000 2.242 201 Y HA -0.120 4.458 4.550 0.048 0.000 0.291 201 Y C 2.494 178.402 175.900 0.013 0.000 1.137 201 Y CA 1.570 59.686 58.100 0.026 0.000 1.181 201 Y CB -0.287 38.194 38.460 0.035 0.000 0.989 201 Y HN 0.460 nan 8.280 nan 0.000 0.527 202 E N -0.532 119.752 120.200 0.141 0.000 2.023 202 E HA -0.229 4.148 4.350 0.045 0.000 0.196 202 E C 2.565 179.178 176.600 0.021 0.000 1.003 202 E CA 1.164 57.606 56.400 0.071 0.000 0.809 202 E CB -0.703 29.035 29.700 0.063 0.000 0.755 202 E HN 0.544 nan 8.360 nan 0.000 0.449 203 G N 0.946 109.749 108.800 0.005 0.000 2.507 203 G HA2 -0.313 3.674 3.960 0.045 0.000 0.221 203 G HA3 -0.313 3.674 3.960 0.045 0.000 0.221 203 G C 1.620 176.486 174.900 -0.056 0.000 1.119 203 G CA 1.112 46.197 45.100 -0.024 0.000 0.751 203 G HN 0.361 nan 8.290 nan 0.000 0.574 204 A N -0.070 122.698 122.820 -0.086 0.000 1.872 204 A HA 0.183 4.530 4.320 0.045 0.000 0.214 204 A C 2.604 180.132 177.584 -0.093 0.000 1.187 204 A CA 1.584 53.543 52.037 -0.129 0.000 0.614 204 A CB -0.579 18.289 19.000 -0.220 0.000 0.826 204 A HN 0.236 nan 8.150 nan 0.000 0.442 205 V N 0.587 120.475 119.914 -0.043 0.000 2.255 205 V HA -0.312 3.836 4.120 0.045 0.000 0.247 205 V C 2.571 178.641 176.094 -0.040 0.000 1.051 205 V CA 2.515 64.798 62.300 -0.028 0.000 1.018 205 V CB -0.675 31.156 31.823 0.012 0.000 0.641 205 V HN 0.724 nan 8.190 nan 0.000 0.445 206 K N 0.076 120.458 120.400 -0.029 0.000 2.280 206 K HA -0.134 4.213 4.320 0.045 0.000 0.202 206 K C 1.381 177.955 176.600 -0.043 0.000 1.047 206 K CA 1.560 57.830 56.287 -0.028 0.000 0.942 206 K CB -0.117 32.373 32.500 -0.017 0.000 0.739 206 K HN 0.552 nan 8.250 nan 0.000 0.457 207 N N -0.288 118.375 118.700 -0.060 0.000 2.204 207 N HA 0.051 4.818 4.740 0.045 0.000 0.219 207 N C -0.035 175.417 175.510 -0.097 0.000 1.151 207 N CA 0.575 53.584 53.050 -0.069 0.000 0.867 207 N CB 1.276 39.723 38.487 -0.067 0.000 1.043 207 N HN 0.343 nan 8.380 nan 0.000 0.516 208 G N 1.759 110.489 108.800 -0.118 0.000 2.283 208 G HA2 -0.245 3.742 3.960 0.045 0.000 0.280 208 G HA3 -0.245 3.742 3.960 0.045 0.000 0.280 208 G C 0.019 174.750 174.900 -0.281 0.000 1.029 208 G CA -0.064 44.926 45.100 -0.182 0.000 0.840 208 G HN 0.259 nan 8.290 nan 0.000 0.505 209 I N 0.998 121.423 120.570 -0.243 0.000 2.352 209 I HA 0.244 4.441 4.170 0.045 0.000 0.290 209 I C 1.167 177.082 176.117 -0.337 0.000 1.036 209 I CA -0.978 60.163 61.300 -0.265 0.000 1.336 209 I CB 0.158 38.047 38.000 -0.185 0.000 1.407 209 I HN 0.160 nan 8.210 nan 0.000 0.497 210 H N 6.248 125.121 119.070 -0.329 0.000 2.836 210 H HA 0.299 4.881 4.556 0.042 0.000 0.368 210 H C -0.105 174.892 175.328 -0.552 0.000 1.164 210 H CA 0.382 56.073 56.048 -0.595 0.000 1.425 210 H CB 0.694 29.709 29.762 -1.246 0.000 1.414 210 H HN 0.402 nan 8.280 nan 0.000 0.614 211 R N 0.791 121.112 120.500 -0.299 0.000 2.533 211 R HA 0.386 4.753 4.340 0.045 0.000 0.288 211 R C -1.117 175.317 176.300 0.223 0.000 1.039 211 R CA -0.611 55.512 56.100 0.038 0.000 0.909 211 R CB 2.300 32.730 30.300 0.217 0.000 1.195 211 R HN 0.571 nan 8.270 nan 0.000 0.438 212 T N 1.154 115.885 114.554 0.295 0.000 2.896 212 T HA 0.722 5.100 4.350 0.045 0.000 0.297 212 T C -1.526 173.324 174.700 0.249 0.000 1.108 212 T CA -0.558 61.721 62.100 0.299 0.000 1.004 212 T CB 1.617 70.686 68.868 0.336 0.000 1.159 212 T HN 0.198 nan 8.240 nan 0.000 0.499 213 V N 3.108 123.127 119.914 0.176 0.000 2.817 213 V HA 0.366 4.513 4.120 0.045 0.000 0.303 213 V C -1.166 175.055 176.094 0.212 0.000 1.151 213 V CA -0.999 61.392 62.300 0.151 0.000 0.929 213 V CB 1.868 33.683 31.823 -0.014 0.000 1.030 213 V HN 1.011 nan 8.190 nan 0.000 0.427 214 H N 2.758 121.934 119.070 0.177 0.000 2.819 214 H HA 0.721 5.304 4.556 0.044 0.000 0.303 214 H C 0.265 175.704 175.328 0.185 0.000 1.058 214 H CA 1.013 57.230 56.048 0.282 0.000 1.471 214 H CB 1.104 31.062 29.762 0.327 0.000 1.480 214 H HN 1.017 nan 8.280 nan 0.000 0.517 215 A N 2.001 124.998 122.820 0.295 0.000 2.513 215 A HA 0.531 4.878 4.320 0.045 0.000 0.296 215 A C 0.659 178.346 177.584 0.172 0.000 1.052 215 A CA -0.260 51.885 52.037 0.181 0.000 0.714 215 A CB 0.733 19.811 19.000 0.129 0.000 1.279 215 A HN 1.032 nan 8.150 nan 0.000 0.397 216 G N 0.803 109.662 108.800 0.098 0.000 2.147 216 G HA2 -0.269 3.719 3.960 0.045 0.000 0.244 216 G HA3 -0.269 3.719 3.960 0.045 0.000 0.244 216 G C 0.730 175.532 174.900 -0.164 0.000 1.005 216 G CA 0.978 46.105 45.100 0.044 0.000 0.713 216 G HN 1.072 nan 8.290 nan 0.000 0.515 217 Q N -0.768 118.931 119.800 -0.168 0.000 2.033 217 Q HA 0.170 4.538 4.340 0.045 0.000 0.196 217 Q C 2.610 178.285 176.000 -0.541 0.000 0.970 217 Q CA 2.562 58.136 55.803 -0.381 0.000 0.828 217 Q CB 0.027 28.511 28.738 -0.424 0.000 0.895 217 Q HN 1.148 nan 8.270 nan 0.000 0.440 218 V N -4.210 115.530 119.914 -0.289 0.000 3.497 218 V HA 0.474 4.621 4.120 0.045 0.000 0.272 218 V C 0.815 176.963 176.094 0.090 0.000 1.474 218 V CA 0.233 62.470 62.300 -0.105 0.000 1.025 218 V CB 0.139 31.939 31.823 -0.038 0.000 0.820 218 V HN 0.206 nan 8.190 nan 0.000 0.437 219 G N 1.714 110.548 108.800 0.056 0.000 2.651 219 G HA2 0.415 4.402 3.960 0.045 0.000 0.260 219 G HA3 0.415 4.402 3.960 0.045 0.000 0.260 219 G C 0.255 175.264 174.900 0.183 0.000 1.216 219 G CA 0.479 45.639 45.100 0.100 0.000 0.913 219 G HN 0.897 nan 8.290 nan 0.000 0.535 220 S N 0.087 115.850 115.700 0.106 0.000 2.600 220 S HA 0.222 4.720 4.470 0.045 0.000 0.265 220 S C -1.509 173.150 174.600 0.098 0.000 1.325 220 S CA -0.744 57.507 58.200 0.086 0.000 1.002 220 S CB 1.506 64.731 63.200 0.041 0.000 0.921 220 S HN 0.238 nan 8.310 nan 0.000 0.554 221 P HA -0.129 nan 4.420 nan 0.000 0.220 221 P C 1.266 178.616 177.300 0.084 0.000 1.144 221 P CA 1.407 64.566 63.100 0.098 0.000 0.800 221 P CB 0.013 31.759 31.700 0.076 0.000 0.772 222 E N -0.391 119.845 120.200 0.059 0.000 2.204 222 E HA -0.117 4.260 4.350 0.045 0.000 0.194 222 E C 1.630 178.254 176.600 0.039 0.000 0.989 222 E CA 0.879 57.305 56.400 0.044 0.000 0.824 222 E CB -0.950 28.767 29.700 0.028 0.000 0.756 222 E HN -0.014 nan 8.360 nan 0.000 0.477 223 V N -0.314 119.627 119.914 0.045 0.000 2.453 223 V HA -0.189 3.958 4.120 0.045 0.000 0.247 223 V C 2.286 178.408 176.094 0.047 0.000 1.048 223 V CA 1.347 63.666 62.300 0.032 0.000 1.049 223 V CB -0.252 31.592 31.823 0.035 0.000 0.672 223 V HN 0.192 nan 8.190 nan 0.000 0.457 224 V N 0.414 120.379 119.914 0.084 0.000 2.307 224 V HA -0.265 3.883 4.120 0.045 0.000 0.245 224 V C 2.576 178.720 176.094 0.083 0.000 1.045 224 V CA 2.429 64.795 62.300 0.110 0.000 1.024 224 V CB -0.831 31.098 31.823 0.176 0.000 0.651 224 V HN 0.522 nan 8.190 nan 0.000 0.449 225 R N 0.293 120.839 120.500 0.077 0.000 2.105 225 R HA -0.222 4.145 4.340 0.045 0.000 0.239 225 R C 2.206 178.525 176.300 0.032 0.000 1.135 225 R CA 2.116 58.252 56.100 0.060 0.000 0.967 225 R CB -0.219 30.114 30.300 0.055 0.000 0.861 225 R HN 0.652 nan 8.270 nan 0.000 0.442 226 E N 0.019 120.230 120.200 0.018 0.000 2.106 226 E HA -0.147 4.231 4.350 0.045 0.000 0.192 226 E C 2.042 178.620 176.600 -0.036 0.000 0.984 226 E CA 0.984 57.378 56.400 -0.010 0.000 0.806 226 E CB -0.130 29.556 29.700 -0.024 0.000 0.750 226 E HN 0.484 nan 8.360 nan 0.000 0.458 227 A N 1.086 123.885 122.820 -0.035 0.000 1.892 227 A HA -0.195 4.152 4.320 0.045 0.000 0.218 227 A C 2.505 180.064 177.584 -0.042 0.000 1.188 227 A CA 1.582 53.579 52.037 -0.067 0.000 0.631 227 A CB -0.732 18.256 19.000 -0.019 0.000 0.822 227 A HN 0.129 nan 8.150 nan 0.000 0.447 228 V N 0.177 120.092 119.914 0.002 0.000 2.302 228 V HA -0.142 4.005 4.120 0.045 0.000 0.243 228 V C 1.905 178.008 176.094 0.016 0.000 1.036 228 V CA 2.130 64.439 62.300 0.015 0.000 1.020 228 V CB -0.615 31.227 31.823 0.031 0.000 0.657 228 V HN 0.526 nan 8.190 nan 0.000 0.453 229 D N -0.598 119.812 120.400 0.015 0.000 2.327 229 D HA 0.055 4.722 4.640 0.045 0.000 0.205 229 D C 1.872 178.182 176.300 0.016 0.000 0.989 229 D CA 0.688 54.700 54.000 0.019 0.000 0.873 229 D CB 0.437 41.251 40.800 0.023 0.000 0.955 229 D HN 0.328 nan 8.370 nan 0.000 0.515 230 I N 0.096 120.668 120.570 0.003 0.000 2.900 230 I HA -0.036 4.161 4.170 0.045 0.000 0.251 230 I C 2.016 178.136 176.117 0.004 0.000 1.102 230 I CA 0.259 61.562 61.300 0.006 0.000 1.457 230 I CB -0.967 37.031 38.000 -0.004 0.000 1.285 230 I HN -0.073 nan 8.210 nan 0.000 0.459 231 L N 1.345 122.536 121.223 -0.053 0.000 2.275 231 L HA -0.025 4.343 4.340 0.045 0.000 0.215 231 L C 0.771 177.655 176.870 0.022 0.000 1.119 231 L CA 0.897 55.669 54.840 -0.113 0.000 0.790 231 L CB -0.847 40.941 42.059 -0.451 0.000 0.919 231 L HN 0.309 nan 8.230 nan 0.000 0.443 232 K N -0.685 119.730 120.400 0.026 0.000 3.251 232 K HA -0.170 4.177 4.320 0.045 0.000 0.282 232 K C 0.610 177.268 176.600 0.096 0.000 1.201 232 K CA 0.747 57.074 56.287 0.067 0.000 0.827 232 K CB -2.834 29.718 32.500 0.087 0.000 1.286 232 K HN 0.365 nan 8.250 nan 0.000 0.503 233 T N 0.371 114.965 114.554 0.066 0.000 2.855 233 T HA 0.075 4.452 4.350 0.045 0.000 0.322 233 T C 1.405 176.177 174.700 0.120 0.000 1.088 233 T CA 0.500 62.667 62.100 0.111 0.000 1.104 233 T CB 0.471 69.378 68.868 0.065 0.000 0.996 233 T HN 0.310 nan 8.240 nan 0.000 0.549 234 E N 1.491 121.802 120.200 0.186 0.000 2.465 234 E HA 0.189 4.566 4.350 0.045 0.000 0.209 234 E C 0.464 177.166 176.600 0.171 0.000 0.951 234 E CA 0.094 56.614 56.400 0.200 0.000 0.997 234 E CB 0.719 30.618 29.700 0.331 0.000 1.025 234 E HN 0.422 nan 8.360 nan 0.000 0.500 235 R N 0.498 121.112 120.500 0.191 0.000 2.774 235 R HA 0.535 4.902 4.340 0.045 0.000 0.272 235 R C -1.266 175.079 176.300 0.075 0.000 1.000 235 R CA -0.745 55.421 56.100 0.110 0.000 0.906 235 R CB 2.613 33.004 30.300 0.151 0.000 1.227 235 R HN -0.174 nan 8.270 nan 0.000 0.468 236 V N 0.964 120.874 119.914 -0.006 0.000 2.409 236 V HA 0.411 4.558 4.120 0.045 0.000 0.291 236 V C 0.415 176.579 176.094 0.116 0.000 1.020 236 V CA -0.803 61.532 62.300 0.059 0.000 0.848 236 V CB 1.748 33.603 31.823 0.053 0.000 0.990 236 V HN 0.941 nan 8.190 nan 0.000 0.430 237 G N 3.190 112.058 108.800 0.113 0.000 2.361 237 G HA2 0.458 4.445 3.960 0.045 0.000 0.260 237 G HA3 0.458 4.445 3.960 0.045 0.000 0.260 237 G C 0.392 175.308 174.900 0.027 0.000 1.261 237 G CA 0.494 45.590 45.100 -0.007 0.000 0.897 237 G HN 0.978 nan 8.290 nan 0.000 0.499 238 H N 1.996 121.101 119.070 0.058 0.000 3.046 238 H HA -0.316 4.268 4.556 0.046 0.000 0.089 238 H C 2.188 177.651 175.328 0.225 0.000 0.620 238 H CA 1.916 58.012 56.048 0.080 0.000 1.617 238 H CB -1.486 28.288 29.762 0.021 0.000 1.830 238 H HN 2.001 nan 8.280 nan 0.000 0.913 239 G N 1.263 110.284 108.800 0.369 0.000 2.168 239 G HA2 -0.376 3.611 3.960 0.045 0.000 0.263 239 G HA3 -0.376 3.611 3.960 0.045 0.000 0.263 239 G C 0.916 175.946 174.900 0.218 0.000 0.977 239 G CA 1.649 46.991 45.100 0.403 0.000 0.659 239 G HN 0.563 nan 8.290 nan 0.000 0.533 240 E N -0.337 119.922 120.200 0.098 0.000 2.153 240 E HA -0.035 4.342 4.350 0.045 0.000 0.194 240 E C 1.754 178.357 176.600 0.005 0.000 0.988 240 E CA 1.273 57.632 56.400 -0.068 0.000 0.811 240 E CB -0.266 29.352 29.700 -0.136 0.000 0.746 240 E HN 0.832 nan 8.360 nan 0.000 0.466 241 H N -0.960 118.077 119.070 -0.054 0.000 2.547 241 H HA 0.100 4.683 4.556 0.046 0.000 0.274 241 H C 1.019 176.332 175.328 -0.025 0.000 1.024 241 H CA 0.293 56.307 56.048 -0.057 0.000 1.155 241 H CB 0.382 30.130 29.762 -0.023 0.000 1.344 241 H HN 0.099 nan 8.280 nan 0.000 0.598 242 T N 1.259 115.881 114.554 0.113 0.000 2.904 242 T HA -0.112 4.265 4.350 0.045 0.000 0.267 242 T C 2.244 176.949 174.700 0.009 0.000 1.059 242 T CA 0.995 63.167 62.100 0.121 0.000 1.137 242 T CB -0.067 68.944 68.868 0.237 0.000 0.879 242 T HN 0.540 nan 8.240 nan 0.000 0.467 243 I N 0.600 121.057 120.570 -0.189 0.000 2.361 243 I HA -0.107 4.091 4.170 0.045 0.000 0.251 243 I C 2.018 178.051 176.117 -0.141 0.000 1.133 243 I CA 1.538 62.633 61.300 -0.342 0.000 1.413 243 I CB -0.666 36.990 38.000 -0.573 0.000 1.073 243 I HN 0.170 nan 8.210 nan 0.000 0.424 244 E N 1.119 121.256 120.200 -0.105 0.000 2.233 244 E HA -0.236 4.141 4.350 0.045 0.000 0.199 244 E C 0.452 177.041 176.600 -0.018 0.000 1.004 244 E CA 1.235 57.592 56.400 -0.073 0.000 0.819 244 E CB -0.227 29.417 29.700 -0.095 0.000 0.738 244 E HN 0.554 nan 8.360 nan 0.000 0.478 245 D N -0.103 120.311 120.400 0.022 0.000 2.441 245 D HA 0.023 4.690 4.640 0.045 0.000 0.231 245 D C 0.513 176.875 176.300 0.103 0.000 1.073 245 D CA -0.182 53.852 54.000 0.056 0.000 0.850 245 D CB 0.957 41.797 40.800 0.066 0.000 1.062 245 D HN -0.191 nan 8.370 nan 0.000 0.524 246 E N 2.573 122.828 120.200 0.092 0.000 2.047 246 E HA -0.126 4.251 4.350 0.045 0.000 0.191 246 E C 1.691 178.379 176.600 0.147 0.000 0.987 246 E CA 1.035 57.516 56.400 0.135 0.000 0.799 246 E CB -0.109 29.645 29.700 0.091 0.000 0.752 246 E HN 0.642 nan 8.360 nan 0.000 0.449 247 A N 1.107 123.987 122.820 0.101 0.000 1.902 247 A HA -0.156 4.191 4.320 0.045 0.000 0.217 247 A C 2.283 179.928 177.584 0.102 0.000 1.181 247 A CA 1.332 53.419 52.037 0.084 0.000 0.623 247 A CB -0.596 18.440 19.000 0.060 0.000 0.818 247 A HN 0.247 nan 8.150 nan 0.000 0.443 248 L N -1.865 119.433 121.223 0.126 0.000 2.027 248 L HA -0.117 4.250 4.340 0.045 0.000 0.206 248 L C 2.338 179.341 176.870 0.222 0.000 1.074 248 L CA 2.253 57.182 54.840 0.148 0.000 0.745 248 L CB -0.752 41.393 42.059 0.143 0.000 0.898 248 L HN 0.486 nan 8.230 nan 0.000 0.433 249 Y N 0.899 121.265 120.300 0.109 0.000 2.102 249 Y HA -0.345 4.232 4.550 0.045 0.000 0.280 249 Y C 2.446 178.421 175.900 0.124 0.000 1.178 249 Y CA 2.245 60.425 58.100 0.133 0.000 1.146 249 Y CB -0.634 37.885 38.460 0.098 0.000 0.968 249 Y HN 0.400 nan 8.280 nan 0.000 0.504 250 N N 0.153 118.870 118.700 0.028 0.000 2.171 250 N HA -0.169 4.598 4.740 0.045 0.000 0.184 250 N C 2.091 177.573 175.510 -0.047 0.000 1.021 250 N CA 1.311 54.303 53.050 -0.096 0.000 0.854 250 N CB -0.442 38.035 38.487 -0.018 0.000 0.994 250 N HN 0.421 nan 8.380 nan 0.000 0.426 251 R N 1.526 122.037 120.500 0.019 0.000 2.097 251 R HA -0.079 4.288 4.340 0.045 0.000 0.236 251 R C 2.316 178.630 176.300 0.023 0.000 1.135 251 R CA 1.287 57.402 56.100 0.026 0.000 0.934 251 R CB -0.456 29.872 30.300 0.048 0.000 0.846 251 R HN 0.121 nan 8.270 nan 0.000 0.431 252 L N 0.477 121.740 121.223 0.066 0.000 2.042 252 L HA -0.211 4.157 4.340 0.045 0.000 0.210 252 L C 2.517 179.408 176.870 0.034 0.000 1.076 252 L CA 0.717 55.605 54.840 0.079 0.000 0.749 252 L CB -0.657 41.534 42.059 0.220 0.000 0.893 252 L HN 0.247 nan 8.230 nan 0.000 0.432 253 L N 0.260 121.459 121.223 -0.040 0.000 1.990 253 L HA -0.246 4.121 4.340 0.045 0.000 0.213 253 L C 2.612 179.448 176.870 -0.057 0.000 1.072 253 L CA 1.847 56.623 54.840 -0.107 0.000 0.755 253 L CB -0.714 41.160 42.059 -0.308 0.000 0.889 253 L HN 0.105 nan 8.230 nan 0.000 0.432 254 K N -0.278 120.091 120.400 -0.052 0.000 2.103 254 K HA -0.151 4.197 4.320 0.045 0.000 0.207 254 K C 1.765 178.358 176.600 -0.011 0.000 1.048 254 K CA 1.448 57.719 56.287 -0.027 0.000 0.930 254 K CB -0.062 32.427 32.500 -0.018 0.000 0.716 254 K HN 0.460 nan 8.250 nan 0.000 0.444 255 E N -0.096 120.100 120.200 -0.007 0.000 2.489 255 E HA -0.005 4.373 4.350 0.045 0.000 0.193 255 E C -0.252 176.344 176.600 -0.006 0.000 1.057 255 E CA -0.037 56.362 56.400 -0.001 0.000 0.866 255 E CB -0.106 29.597 29.700 0.004 0.000 0.916 255 E HN 0.337 nan 8.360 nan 0.000 0.500 256 N N 1.062 119.756 118.700 -0.011 0.000 2.776 256 N HA -0.188 4.579 4.740 0.045 0.000 0.249 256 N C -0.308 175.181 175.510 -0.036 0.000 1.111 256 N CA -0.177 52.869 53.050 -0.008 0.000 0.711 256 N CB -0.653 37.838 38.487 0.007 0.000 1.065 256 N HN 0.112 nan 8.380 nan 0.000 0.556 257 M N 1.873 121.415 119.600 -0.097 0.000 2.251 257 M HA 0.033 4.540 4.480 0.045 0.000 0.343 257 M C 0.064 176.150 176.300 -0.356 0.000 1.245 257 M CA 0.466 55.620 55.300 -0.243 0.000 1.061 257 M CB 0.117 32.474 32.600 -0.406 0.000 1.723 257 M HN 0.241 nan 8.290 nan 0.000 0.449 258 H N 4.013 122.869 119.070 -0.356 0.000 2.580 258 H HA 0.452 5.035 4.556 0.047 0.000 0.322 258 H C -1.603 173.444 175.328 -0.468 0.000 1.082 258 H CA 0.091 55.957 56.048 -0.304 0.000 1.383 258 H CB 0.317 29.981 29.762 -0.163 0.000 1.450 258 H HN 0.576 nan 8.280 nan 0.000 0.505 259 F N 2.712 122.337 119.950 -0.542 0.000 2.444 259 F HA 0.237 4.791 4.527 0.046 0.000 0.342 259 F C 0.193 175.844 175.800 -0.250 0.000 1.121 259 F CA -0.780 57.058 58.000 -0.270 0.000 0.997 259 F CB 1.498 40.298 39.000 -0.333 0.000 1.130 259 F HN 0.575 nan 8.300 nan 0.000 0.454 260 E N 3.000 123.272 120.200 0.121 0.000 1.998 260 E HA 0.310 4.687 4.350 0.045 0.000 0.257 260 E C -0.801 175.823 176.600 0.039 0.000 1.038 260 E CA -0.428 56.055 56.400 0.138 0.000 0.869 260 E CB 0.939 30.752 29.700 0.188 0.000 1.135 260 E HN 0.261 nan 8.360 nan 0.000 0.430 261 V N 2.320 122.326 119.914 0.154 0.000 2.614 261 V HA 0.042 4.189 4.120 0.045 0.000 0.291 261 V C 0.087 176.208 176.094 0.044 0.000 1.049 261 V CA -0.534 61.848 62.300 0.137 0.000 1.038 261 V CB 0.961 32.910 31.823 0.210 0.000 0.980 261 V HN 0.793 nan 8.190 nan 0.000 0.481 262 C N 7.308 126.632 119.300 0.040 0.000 2.647 262 C HA 0.339 4.827 4.460 0.045 0.000 0.273 262 C C -0.841 174.185 174.990 0.061 0.000 1.088 262 C CA -0.916 58.139 59.018 0.063 0.000 1.529 262 C CB 0.625 28.421 27.740 0.093 0.000 1.810 262 C HN 0.710 nan 8.230 nan 0.000 0.422 263 P HA -0.163 nan 4.420 nan 0.000 0.214 263 P C 1.841 179.181 177.300 0.067 0.000 1.162 263 P CA 1.388 64.392 63.100 -0.160 0.000 0.879 263 P CB 0.093 31.562 31.700 -0.385 0.000 0.786 264 W N 1.039 122.270 121.300 -0.115 0.000 2.335 264 W HA -0.188 4.499 4.660 0.044 0.000 0.311 264 W C 2.489 178.856 176.519 -0.253 0.000 1.213 264 W CA 1.549 58.841 57.345 -0.088 0.000 1.274 264 W CB -0.516 28.923 29.460 -0.035 0.000 1.148 264 W HN -0.003 nan 8.180 nan 0.000 0.498 265 S N -0.019 115.455 115.700 -0.377 0.000 2.392 265 S HA -0.252 4.245 4.470 0.045 0.000 0.232 265 S C 1.995 176.267 174.600 -0.546 0.000 1.041 265 S CA 2.073 59.774 58.200 -0.832 0.000 1.026 265 S CB -0.660 62.461 63.200 -0.132 0.000 0.845 265 S HN 0.278 nan 8.310 nan 0.000 0.465 266 S N -0.824 114.770 115.700 -0.176 0.000 2.368 266 S HA -0.080 4.417 4.470 0.045 0.000 0.224 266 S C 1.526 176.156 174.600 0.050 0.000 1.029 266 S CA 1.311 59.495 58.200 -0.026 0.000 0.988 266 S CB -0.567 62.745 63.200 0.186 0.000 0.838 266 S HN 0.801 nan 8.310 nan 0.000 0.462 267 Y N 1.904 122.198 120.300 -0.010 0.000 2.163 267 Y HA 0.014 4.591 4.550 0.045 0.000 0.288 267 Y C 1.755 177.484 175.900 -0.286 0.000 1.136 267 Y CA 1.495 59.593 58.100 -0.003 0.000 1.147 267 Y CB -0.413 38.082 38.460 0.058 0.000 0.987 267 Y HN 0.186 nan 8.280 nan 0.000 0.509 268 L N -0.077 120.737 121.223 -0.681 0.000 2.217 268 L HA -0.107 4.260 4.340 0.045 0.000 0.211 268 L C 2.219 178.807 176.870 -0.471 0.000 1.107 268 L CA 1.595 56.010 54.840 -0.709 0.000 0.783 268 L CB -0.820 40.802 42.059 -0.729 0.000 0.919 268 L HN 0.399 nan 8.230 nan 0.000 0.442 269 T N -3.231 111.044 114.554 -0.464 0.000 3.169 269 T HA 0.175 4.552 4.350 0.045 0.000 0.250 269 T C 1.395 175.959 174.700 -0.228 0.000 1.111 269 T CA 0.321 62.222 62.100 -0.331 0.000 1.010 269 T CB 0.050 68.671 68.868 -0.411 0.000 0.984 269 T HN 0.437 nan 8.240 nan 0.000 0.537 270 G N 0.794 109.435 108.800 -0.265 0.000 2.283 270 G HA2 -0.196 3.791 3.960 0.045 0.000 0.280 270 G HA3 -0.196 3.791 3.960 0.045 0.000 0.280 270 G C 0.954 175.791 174.900 -0.104 0.000 1.029 270 G CA 0.149 45.130 45.100 -0.198 0.000 0.840 270 G HN 1.065 nan 8.290 nan 0.000 0.505 271 A N -1.377 121.384 122.820 -0.099 0.000 1.975 271 A HA 0.392 4.739 4.320 0.045 0.000 0.215 271 A C 1.002 178.664 177.584 0.129 0.000 1.170 271 A CA 1.448 53.455 52.037 -0.051 0.000 0.656 271 A CB 0.024 18.893 19.000 -0.218 0.000 0.821 271 A HN 1.294 nan 8.150 nan 0.000 0.449 272 W N 0.931 122.150 121.300 -0.135 0.000 2.475 272 W HA 0.525 5.213 4.660 0.046 0.000 0.317 272 W C -1.277 175.192 176.519 -0.083 0.000 1.046 272 W CA -1.580 55.674 57.345 -0.152 0.000 1.215 272 W CB 0.930 30.226 29.460 -0.274 0.000 1.335 272 W HN 0.048 nan 8.180 nan 0.000 0.471 273 D N 7.662 127.801 120.400 -0.434 0.000 2.338 273 D HA 0.127 4.794 4.640 0.045 0.000 0.255 273 D C -1.450 174.149 176.300 -1.168 0.000 1.237 273 D CA -1.804 51.837 54.000 -0.598 0.000 0.883 273 D CB 1.833 42.444 40.800 -0.315 0.000 1.087 273 D HN 0.183 nan 8.370 nan 0.000 0.485 274 P HA -0.098 nan 4.420 nan 0.000 0.223 274 P C 0.477 177.433 177.300 -0.573 0.000 1.144 274 P CA 0.925 63.265 63.100 -1.266 0.000 0.783 274 P CB 0.312 31.663 31.700 -0.582 0.000 0.771 275 K N -0.229 119.944 120.400 -0.378 0.000 2.681 275 K HA 0.191 4.538 4.320 0.045 0.000 0.211 275 K C 0.642 177.175 176.600 -0.113 0.000 1.075 275 K CA 0.232 56.418 56.287 -0.169 0.000 1.141 275 K CB 0.146 32.571 32.500 -0.125 0.000 0.896 275 K HN 0.239 nan 8.250 nan 0.000 0.470 276 T N -3.087 111.405 114.554 -0.104 0.000 2.883 276 T HA 0.350 4.727 4.350 0.045 0.000 0.284 276 T C 0.214 175.060 174.700 0.244 0.000 1.041 276 T CA -0.535 61.587 62.100 0.037 0.000 1.007 276 T CB 1.551 70.423 68.868 0.008 0.000 1.220 276 T HN -0.107 nan 8.240 nan 0.000 0.552 277 T N 2.322 116.981 114.554 0.174 0.000 2.779 277 T HA 0.163 4.540 4.350 0.045 0.000 0.296 277 T C 0.171 174.972 174.700 0.168 0.000 0.938 277 T CA -0.134 62.068 62.100 0.170 0.000 1.119 277 T CB -0.290 68.600 68.868 0.037 0.000 0.891 277 T HN 0.640 nan 8.240 nan 0.000 0.526 278 H N 2.848 121.911 119.070 -0.011 0.000 3.125 278 H HA 0.025 4.608 4.556 0.045 0.000 0.310 278 H C 1.424 176.480 175.328 -0.453 0.000 0.980 278 H CA 0.145 55.837 56.048 -0.593 0.000 1.422 278 H CB 0.496 29.608 29.762 -1.083 0.000 1.432 278 H HN 0.823 nan 8.280 nan 0.000 0.577 279 A N 5.129 127.685 122.820 -0.440 0.000 2.042 279 A HA -0.182 4.165 4.320 0.045 0.000 0.222 279 A C 2.576 179.679 177.584 -0.802 0.000 1.167 279 A CA 1.615 53.285 52.037 -0.611 0.000 0.649 279 A CB -0.680 17.867 19.000 -0.755 0.000 0.809 279 A HN 0.585 nan 8.150 nan 0.000 0.457 280 V N -0.509 119.194 119.914 -0.352 0.000 2.626 280 V HA -0.168 3.979 4.120 0.045 0.000 0.252 280 V C 2.361 178.316 176.094 -0.232 0.000 1.067 280 V CA 2.046 64.056 62.300 -0.483 0.000 1.081 280 V CB -0.287 31.239 31.823 -0.494 0.000 0.686 280 V HN 0.368 nan 8.190 nan 0.000 0.468 281 V N 0.429 120.255 119.914 -0.147 0.000 2.343 281 V HA -0.238 3.909 4.120 0.045 0.000 0.247 281 V C 2.575 178.629 176.094 -0.066 0.000 1.051 281 V CA 2.472 64.763 62.300 -0.015 0.000 1.036 281 V CB -0.818 31.003 31.823 -0.004 0.000 0.654 281 V HN 0.616 nan 8.190 nan 0.000 0.451 282 R N -0.223 120.179 120.500 -0.164 0.000 2.092 282 R HA -0.127 4.240 4.340 0.045 0.000 0.231 282 R C 2.054 178.403 176.300 0.083 0.000 1.119 282 R CA 1.735 57.782 56.100 -0.088 0.000 0.970 282 R CB -0.490 29.686 30.300 -0.207 0.000 0.864 282 R HN 0.358 nan 8.270 nan 0.000 0.440 283 F N 1.468 121.337 119.950 -0.135 0.000 2.171 283 F HA -0.113 4.442 4.527 0.046 0.000 0.300 283 F C 2.192 177.960 175.800 -0.053 0.000 1.090 283 F CA 1.505 59.415 58.000 -0.149 0.000 1.293 283 F CB -0.869 37.789 39.000 -0.570 0.000 1.013 283 F HN 0.175 nan 8.300 nan 0.000 0.486 284 K N 0.333 120.781 120.400 0.080 0.000 2.031 284 K HA -0.146 4.201 4.320 0.045 0.000 0.205 284 K C 1.742 178.344 176.600 0.004 0.000 1.049 284 K CA 1.428 57.734 56.287 0.032 0.000 0.939 284 K CB -0.155 32.190 32.500 -0.258 0.000 0.717 284 K HN 0.101 nan 8.250 nan 0.000 0.438 285 N N 1.682 120.386 118.700 0.005 0.000 2.223 285 N HA -0.131 4.636 4.740 0.045 0.000 0.185 285 N C 0.751 176.291 175.510 0.051 0.000 1.016 285 N CA 1.342 54.399 53.050 0.011 0.000 0.863 285 N CB -0.301 38.193 38.487 0.013 0.000 0.983 285 N HN 0.302 nan 8.380 nan 0.000 0.429 286 D N 0.932 121.398 120.400 0.109 0.000 2.349 286 D HA 0.009 4.676 4.640 0.045 0.000 0.224 286 D C 0.108 176.460 176.300 0.087 0.000 1.029 286 D CA 0.203 54.269 54.000 0.109 0.000 0.879 286 D CB 0.048 40.952 40.800 0.174 0.000 0.906 286 D HN -0.025 nan 8.370 nan 0.000 0.528 287 K N -0.296 120.162 120.400 0.097 0.000 3.071 287 K HA -0.188 4.159 4.320 0.045 0.000 0.262 287 K C 0.194 176.867 176.600 0.122 0.000 0.977 287 K CA 0.591 56.934 56.287 0.094 0.000 0.721 287 K CB -2.527 29.999 32.500 0.043 0.000 1.293 287 K HN 0.276 nan 8.250 nan 0.000 0.475 288 A N 1.072 124.009 122.820 0.195 0.000 2.409 288 A HA 0.095 4.442 4.320 0.045 0.000 0.246 288 A C 0.670 178.383 177.584 0.215 0.000 1.099 288 A CA 0.183 52.328 52.037 0.179 0.000 0.789 288 A CB 0.170 19.225 19.000 0.092 0.000 1.053 288 A HN 0.502 nan 8.150 nan 0.000 0.503 289 N N 0.319 119.101 118.700 0.136 0.000 2.521 289 N HA 0.460 5.227 4.740 0.045 0.000 0.236 289 N C -1.294 174.190 175.510 -0.043 0.000 1.067 289 N CA -0.250 52.845 53.050 0.075 0.000 0.939 289 N CB 0.146 38.679 38.487 0.077 0.000 1.201 289 N HN 0.603 nan 8.380 nan 0.000 0.511 290 Y N 0.405 120.614 120.300 -0.152 0.000 2.625 290 Y HA 0.609 5.186 4.550 0.046 0.000 0.338 290 Y C -1.091 174.812 175.900 0.005 0.000 1.123 290 Y CA -1.172 56.724 58.100 -0.340 0.000 1.046 290 Y CB 0.729 39.116 38.460 -0.122 0.000 1.299 290 Y HN 0.188 nan 8.280 nan 0.000 0.464 291 S N 1.849 117.593 115.700 0.073 0.000 2.638 291 S HA 0.774 5.271 4.470 0.045 0.000 0.302 291 S C -1.740 172.982 174.600 0.204 0.000 1.096 291 S CA -0.830 57.465 58.200 0.158 0.000 0.953 291 S CB 1.985 65.374 63.200 0.315 0.000 1.107 291 S HN 0.623 nan 8.310 nan 0.000 0.503 292 L N 2.203 123.495 121.223 0.116 0.000 2.322 292 L HA 0.625 4.992 4.340 0.045 0.000 0.281 292 L C -0.786 176.161 176.870 0.128 0.000 1.014 292 L CA -0.375 54.492 54.840 0.046 0.000 0.815 292 L CB 0.888 42.778 42.059 -0.283 0.000 1.247 292 L HN 0.870 nan 8.230 nan 0.000 0.421 293 N N -0.155 118.624 118.700 0.132 0.000 2.277 293 N HA 0.640 5.407 4.740 0.045 0.000 0.286 293 N C -0.750 174.895 175.510 0.224 0.000 1.140 293 N CA -0.776 52.389 53.050 0.193 0.000 0.799 293 N CB 1.978 40.584 38.487 0.197 0.000 1.596 293 N HN 0.578 nan 8.380 nan 0.000 0.473 294 T N -2.905 111.819 114.554 0.284 0.000 2.909 294 T HA 0.352 4.729 4.350 0.045 0.000 0.286 294 T C 0.222 175.184 174.700 0.436 0.000 1.002 294 T CA -0.304 62.010 62.100 0.355 0.000 1.074 294 T CB 1.800 70.863 68.868 0.325 0.000 0.984 294 T HN 0.532 nan 8.240 nan 0.000 0.495 295 D N 0.073 120.816 120.400 0.572 0.000 2.856 295 D HA 0.047 4.714 4.640 0.045 0.000 0.283 295 D C -0.172 176.528 176.300 0.667 0.000 1.051 295 D CA 0.314 54.710 54.000 0.660 0.000 0.965 295 D CB 0.502 41.707 40.800 0.675 0.000 1.201 295 D HN 0.634 nan 8.370 nan 0.000 0.474 296 D N 1.188 121.879 120.400 0.485 0.000 2.502 296 D HA 0.160 4.827 4.640 0.045 0.000 0.301 296 D C -1.842 174.455 176.300 -0.006 0.000 1.202 296 D CA -1.199 52.890 54.000 0.148 0.000 0.878 296 D CB 1.943 42.689 40.800 -0.091 0.000 1.062 296 D HN 0.227 nan 8.370 nan 0.000 0.499 297 P HA -0.160 nan 4.420 nan 0.000 0.219 297 P C 1.756 179.123 177.300 0.111 0.000 1.146 297 P CA 0.341 63.578 63.100 0.229 0.000 0.808 297 P CB 0.645 32.474 31.700 0.216 0.000 0.779 298 L N -0.327 120.904 121.223 0.013 0.000 2.005 298 L HA -0.087 4.280 4.340 0.045 0.000 0.207 298 L C 2.422 179.243 176.870 -0.081 0.000 1.072 298 L CA 1.807 56.609 54.840 -0.063 0.000 0.744 298 L CB -1.318 40.634 42.059 -0.179 0.000 0.895 298 L HN -0.205 nan 8.230 nan 0.000 0.433 299 I N -1.159 119.300 120.570 -0.185 0.000 2.353 299 I HA -0.214 3.983 4.170 0.045 0.000 0.248 299 I C 1.499 177.639 176.117 0.038 0.000 1.119 299 I CA 0.861 62.066 61.300 -0.159 0.000 1.417 299 I CB -0.259 37.577 38.000 -0.273 0.000 1.078 299 I HN 0.163 nan 8.210 nan 0.000 0.421 300 F N 1.290 121.384 119.950 0.240 0.000 2.797 300 F HA 0.121 4.676 4.527 0.046 0.000 0.302 300 F C 0.825 176.860 175.800 0.392 0.000 1.130 300 F CA -0.541 57.628 58.000 0.281 0.000 1.387 300 F CB -1.096 38.077 39.000 0.288 0.000 1.107 300 F HN -0.054 nan 8.300 nan 0.000 0.577 301 K N 0.882 121.503 120.400 0.369 0.000 3.244 301 K HA -0.170 4.177 4.320 0.045 0.000 0.270 301 K C 0.050 176.810 176.600 0.266 0.000 1.016 301 K CA 0.650 57.099 56.287 0.270 0.000 0.754 301 K CB -2.013 30.637 32.500 0.249 0.000 1.326 301 K HN 0.426 nan 8.250 nan 0.000 0.465 302 S N -1.806 114.051 115.700 0.263 0.000 2.685 302 S HA 0.790 5.287 4.470 0.045 0.000 0.282 302 S C -0.138 174.545 174.600 0.140 0.000 1.159 302 S CA -0.216 58.107 58.200 0.205 0.000 0.833 302 S CB 2.618 66.033 63.200 0.358 0.000 1.151 302 S HN 0.367 nan 8.310 nan 0.000 0.485 303 T N -1.724 112.880 114.554 0.084 0.000 2.831 303 T HA 0.593 4.970 4.350 0.045 0.000 0.287 303 T C 0.577 175.322 174.700 0.076 0.000 1.070 303 T CA -0.773 61.362 62.100 0.057 0.000 1.010 303 T CB 0.654 69.520 68.868 -0.003 0.000 1.264 303 T HN 0.420 nan 8.240 nan 0.000 0.532 304 L N 0.938 122.197 121.223 0.061 0.000 2.083 304 L HA 0.061 4.429 4.340 0.045 0.000 0.209 304 L C 2.147 179.087 176.870 0.116 0.000 1.083 304 L CA 1.966 56.872 54.840 0.111 0.000 0.752 304 L CB -1.295 40.795 42.059 0.052 0.000 0.899 304 L HN 0.941 nan 8.230 nan 0.000 0.433 305 D N -1.678 118.724 120.400 0.003 0.000 2.182 305 D HA -0.181 4.486 4.640 0.045 0.000 0.201 305 D C 1.930 178.229 176.300 -0.001 0.000 0.986 305 D CA 1.460 55.453 54.000 -0.012 0.000 0.847 305 D CB 0.175 40.940 40.800 -0.059 0.000 0.942 305 D HN 0.332 nan 8.370 nan 0.000 0.467 306 T N -0.002 114.528 114.554 -0.039 0.000 2.624 306 T HA -0.205 4.172 4.350 0.045 0.000 0.268 306 T C 1.285 175.904 174.700 -0.135 0.000 1.041 306 T CA 1.966 63.976 62.100 -0.150 0.000 1.159 306 T CB -0.512 68.224 68.868 -0.219 0.000 0.863 306 T HN 0.280 nan 8.240 nan 0.000 0.434 307 D N -0.429 119.964 120.400 -0.011 0.000 2.149 307 D HA 0.012 4.680 4.640 0.045 0.000 0.201 307 D C 1.764 177.994 176.300 -0.115 0.000 0.972 307 D CA 0.716 54.691 54.000 -0.042 0.000 0.835 307 D CB -0.245 40.566 40.800 0.019 0.000 0.966 307 D HN 0.462 nan 8.370 nan 0.000 0.476 308 Y N 1.120 121.320 120.300 -0.167 0.000 2.200 308 Y HA -0.172 4.404 4.550 0.045 0.000 0.290 308 Y C 2.524 178.359 175.900 -0.107 0.000 1.137 308 Y CA 0.749 58.701 58.100 -0.247 0.000 1.163 308 Y CB 0.011 38.226 38.460 -0.409 0.000 0.988 308 Y HN -0.087 nan 8.280 nan 0.000 0.518 309 Q N -0.156 119.671 119.800 0.044 0.000 2.096 309 Q HA -0.279 4.088 4.340 0.045 0.000 0.204 309 Q C 2.415 178.377 176.000 -0.062 0.000 0.982 309 Q CA 1.769 57.572 55.803 0.000 0.000 0.850 309 Q CB -0.615 28.091 28.738 -0.054 0.000 0.901 309 Q HN 0.592 nan 8.270 nan 0.000 0.422 310 M N 0.660 120.176 119.600 -0.140 0.000 2.080 310 M HA -0.191 4.316 4.480 0.045 0.000 0.260 310 M C 2.110 178.283 176.300 -0.211 0.000 1.068 310 M CA 2.248 57.442 55.300 -0.178 0.000 1.109 310 M CB -0.185 32.300 32.600 -0.193 0.000 1.342 310 M HN 0.348 nan 8.290 nan 0.000 0.405 311 T N -2.074 112.303 114.554 -0.295 0.000 2.942 311 T HA -0.097 4.280 4.350 0.045 0.000 0.265 311 T C 1.785 176.336 174.700 -0.248 0.000 1.062 311 T CA 1.232 62.995 62.100 -0.560 0.000 1.139 311 T CB -0.326 67.859 68.868 -1.138 0.000 0.883 311 T HN 0.466 nan 8.240 nan 0.000 0.468 312 K N 1.212 121.642 120.400 0.050 0.000 1.984 312 K HA -0.056 4.292 4.320 0.045 0.000 0.209 312 K C 2.436 179.067 176.600 0.051 0.000 1.046 312 K CA 1.115 57.485 56.287 0.139 0.000 0.934 312 K CB -0.135 32.532 32.500 0.278 0.000 0.717 312 K HN 0.243 nan 8.250 nan 0.000 0.438 313 K N 0.218 120.630 120.400 0.020 0.000 2.032 313 K HA -0.138 4.209 4.320 0.045 0.000 0.209 313 K C 1.413 178.008 176.600 -0.008 0.000 1.048 313 K CA 2.093 58.380 56.287 0.001 0.000 0.927 313 K CB 0.033 32.522 32.500 -0.019 0.000 0.712 313 K HN 0.204 nan 8.250 nan 0.000 0.441 314 D N -1.332 119.048 120.400 -0.034 0.000 2.389 314 D HA 0.103 4.770 4.640 0.045 0.000 0.206 314 D C 0.832 177.123 176.300 -0.015 0.000 1.055 314 D CA 0.700 54.688 54.000 -0.019 0.000 0.856 314 D CB 0.610 41.398 40.800 -0.020 0.000 0.957 314 D HN 0.133 nan 8.370 nan 0.000 0.509 315 M N -1.385 118.198 119.600 -0.028 0.000 2.268 315 M HA 0.256 4.763 4.480 0.045 0.000 0.355 315 M C 0.612 177.007 176.300 0.159 0.000 0.938 315 M CA -0.075 55.244 55.300 0.032 0.000 1.025 315 M CB 1.854 34.403 32.600 -0.085 0.000 1.773 315 M HN -0.057 nan 8.290 nan 0.000 0.613 316 G N 1.880 110.743 108.800 0.105 0.000 2.371 316 G HA2 -0.255 3.732 3.960 0.045 0.000 0.299 316 G HA3 -0.255 3.732 3.960 0.045 0.000 0.299 316 G C -0.472 174.508 174.900 0.133 0.000 1.014 316 G CA -0.113 45.041 45.100 0.089 0.000 1.097 316 G HN 0.324 nan 8.290 nan 0.000 0.512 317 F N 1.326 121.155 119.950 -0.202 0.000 2.456 317 F HA 0.476 5.030 4.527 0.045 0.000 0.358 317 F C 1.592 177.014 175.800 -0.630 0.000 1.095 317 F CA -0.197 57.548 58.000 -0.425 0.000 1.216 317 F CB 0.962 39.675 39.000 -0.479 0.000 1.125 317 F HN 0.300 nan 8.300 nan 0.000 0.549 318 T N -0.721 113.513 114.554 -0.533 0.000 2.912 318 T HA 0.236 4.613 4.350 0.045 0.000 0.280 318 T C 1.116 175.471 174.700 -0.576 0.000 0.989 318 T CA -0.715 61.135 62.100 -0.417 0.000 0.995 318 T CB 1.292 70.003 68.868 -0.261 0.000 1.077 318 T HN 0.711 nan 8.240 nan 0.000 0.531 319 E N 0.201 120.274 120.200 -0.211 0.000 2.118 319 E HA -0.257 4.120 4.350 0.045 0.000 0.195 319 E C 1.945 178.490 176.600 -0.090 0.000 0.992 319 E CA 1.592 57.996 56.400 0.006 0.000 0.804 319 E CB -0.062 29.720 29.700 0.135 0.000 0.741 319 E HN 0.870 nan 8.360 nan 0.000 0.458 320 E N 0.222 120.338 120.200 -0.140 0.000 2.110 320 E HA -0.271 4.106 4.350 0.045 0.000 0.193 320 E C 1.963 178.447 176.600 -0.193 0.000 0.988 320 E CA 1.470 57.785 56.400 -0.141 0.000 0.804 320 E CB -0.051 29.582 29.700 -0.111 0.000 0.745 320 E HN 0.168 nan 8.360 nan 0.000 0.458 321 E N -0.235 119.786 120.200 -0.299 0.000 2.152 321 E HA -0.136 4.241 4.350 0.045 0.000 0.192 321 E C 1.565 178.042 176.600 -0.204 0.000 0.983 321 E CA 0.995 57.205 56.400 -0.316 0.000 0.818 321 E CB -0.304 29.082 29.700 -0.525 0.000 0.758 321 E HN 0.286 nan 8.360 nan 0.000 0.467 322 F N 1.274 121.045 119.950 -0.298 0.000 2.134 322 F HA -0.055 4.499 4.527 0.046 0.000 0.299 322 F C 2.046 177.517 175.800 -0.549 0.000 1.097 322 F CA 1.226 58.919 58.000 -0.512 0.000 1.264 322 F CB -0.630 37.767 39.000 -1.005 0.000 1.001 322 F HN 0.062 nan 8.300 nan 0.000 0.479 323 K N -0.353 119.881 120.400 -0.276 0.000 2.097 323 K HA -0.148 4.199 4.320 0.045 0.000 0.205 323 K C 2.300 178.888 176.600 -0.020 0.000 1.050 323 K CA 0.942 57.079 56.287 -0.251 0.000 0.938 323 K CB -0.154 32.092 32.500 -0.425 0.000 0.718 323 K HN 0.114 nan 8.250 nan 0.000 0.442 324 R N 1.336 121.793 120.500 -0.071 0.000 2.075 324 R HA -0.122 4.245 4.340 0.045 0.000 0.232 324 R C 2.320 178.586 176.300 -0.057 0.000 1.126 324 R CA 1.348 57.418 56.100 -0.049 0.000 0.963 324 R CB -0.193 30.057 30.300 -0.083 0.000 0.858 324 R HN 0.163 nan 8.270 nan 0.000 0.435 325 L N -0.630 120.523 121.223 -0.116 0.000 2.217 325 L HA 0.066 4.433 4.340 0.045 0.000 0.211 325 L C 1.580 178.424 176.870 -0.043 0.000 1.107 325 L CA 1.449 56.166 54.840 -0.204 0.000 0.783 325 L CB -0.702 41.102 42.059 -0.425 0.000 0.919 325 L HN -0.014 nan 8.230 nan 0.000 0.442 326 N N 0.858 119.595 118.700 0.063 0.000 2.216 326 N HA -0.030 4.737 4.740 0.045 0.000 0.183 326 N C 1.972 177.559 175.510 0.129 0.000 1.017 326 N CA 1.656 54.800 53.050 0.157 0.000 0.861 326 N CB -0.129 38.546 38.487 0.314 0.000 0.986 326 N HN 0.446 nan 8.380 nan 0.000 0.428 327 I N 1.550 122.195 120.570 0.125 0.000 2.226 327 I HA -0.261 3.936 4.170 0.045 0.000 0.245 327 I C 1.732 177.883 176.117 0.056 0.000 1.100 327 I CA 0.904 62.254 61.300 0.083 0.000 1.374 327 I CB -0.189 37.851 38.000 0.067 0.000 1.057 327 I HN 0.068 nan 8.210 nan 0.000 0.413 328 N N 0.980 119.702 118.700 0.036 0.000 2.166 328 N HA -0.138 4.630 4.740 0.045 0.000 0.186 328 N C 1.861 177.370 175.510 -0.001 0.000 1.019 328 N CA 1.590 54.658 53.050 0.031 0.000 0.856 328 N CB -0.392 38.112 38.487 0.028 0.000 0.993 328 N HN 0.371 nan 8.380 nan 0.000 0.426 329 A N 0.912 123.741 122.820 0.014 0.000 1.877 329 A HA 0.027 4.374 4.320 0.045 0.000 0.216 329 A C 2.372 179.891 177.584 -0.108 0.000 1.186 329 A CA 1.927 53.919 52.037 -0.075 0.000 0.620 329 A CB -0.933 18.096 19.000 0.049 0.000 0.822 329 A HN 0.304 nan 8.150 nan 0.000 0.443 330 A N -0.070 122.735 122.820 -0.026 0.000 1.883 330 A HA -0.219 4.128 4.320 0.045 0.000 0.217 330 A C 2.115 179.637 177.584 -0.103 0.000 1.186 330 A CA 1.958 53.963 52.037 -0.053 0.000 0.624 330 A CB -0.530 18.457 19.000 -0.021 0.000 0.822 330 A HN 0.535 nan 8.150 nan 0.000 0.444 331 K N -0.055 120.303 120.400 -0.071 0.000 2.152 331 K HA -0.076 4.272 4.320 0.045 0.000 0.206 331 K C 1.630 178.151 176.600 -0.133 0.000 1.048 331 K CA 1.538 57.784 56.287 -0.069 0.000 0.933 331 K CB -0.142 32.346 32.500 -0.021 0.000 0.721 331 K HN 0.455 nan 8.250 nan 0.000 0.447 332 S N 0.919 116.477 115.700 -0.237 0.000 2.605 332 S HA 0.015 4.512 4.470 0.045 0.000 0.217 332 S C 0.459 174.745 174.600 -0.522 0.000 0.958 332 S CA -0.314 57.662 58.200 -0.373 0.000 0.919 332 S CB 0.174 63.006 63.200 -0.614 0.000 0.780 332 S HN 0.304 nan 8.310 nan 0.000 0.507 333 S N 1.104 116.574 115.700 -0.383 0.000 2.589 333 S HA 0.252 4.750 4.470 0.045 0.000 0.265 333 S C 0.054 174.422 174.600 -0.388 0.000 1.342 333 S CA -0.330 57.652 58.200 -0.365 0.000 1.005 333 S CB -0.073 63.023 63.200 -0.172 0.000 0.909 333 S HN 0.192 nan 8.310 nan 0.000 0.555 334 F N 0.364 120.212 119.950 -0.170 0.000 2.701 334 F HA 0.395 4.947 4.527 0.043 0.000 0.295 334 F C 0.389 176.079 175.800 -0.183 0.000 1.165 334 F CA -1.048 56.725 58.000 -0.378 0.000 1.399 334 F CB -1.131 37.683 39.000 -0.309 0.000 0.996 334 F HN 0.306 nan 8.300 nan 0.000 0.513 335 L N 1.659 122.876 121.223 -0.010 0.000 2.417 335 L HA 0.243 4.610 4.340 0.045 0.000 0.268 335 L C -1.747 175.140 176.870 0.028 0.000 1.158 335 L CA -1.903 52.924 54.840 -0.022 0.000 0.819 335 L CB 0.098 42.039 42.059 -0.196 0.000 1.112 335 L HN -0.077 nan 8.230 nan 0.000 0.458 336 P HA -0.054 nan 4.420 nan 0.000 0.269 336 P C 0.294 177.605 177.300 0.018 0.000 1.217 336 P CA -0.169 62.965 63.100 0.058 0.000 0.783 336 P CB 0.566 32.293 31.700 0.046 0.000 0.898 337 E N 1.575 121.790 120.200 0.024 0.000 2.070 337 E HA -0.295 4.082 4.350 0.045 0.000 0.197 337 E C 1.657 178.249 176.600 -0.014 0.000 1.004 337 E CA 1.970 58.373 56.400 0.005 0.000 0.805 337 E CB -0.598 29.110 29.700 0.012 0.000 0.744 337 E HN 0.417 nan 8.360 nan 0.000 0.451 338 E N 0.501 120.696 120.200 -0.010 0.000 2.106 338 E HA -0.158 4.219 4.350 0.045 0.000 0.192 338 E C 1.769 178.350 176.600 -0.031 0.000 0.984 338 E CA 1.621 58.011 56.400 -0.017 0.000 0.806 338 E CB -0.140 29.555 29.700 -0.008 0.000 0.750 338 E HN 0.508 nan 8.360 nan 0.000 0.458 339 E N 0.027 120.205 120.200 -0.037 0.000 2.152 339 E HA -0.146 4.231 4.350 0.045 0.000 0.192 339 E C 1.914 178.447 176.600 -0.113 0.000 0.983 339 E CA 0.844 57.203 56.400 -0.067 0.000 0.818 339 E CB -0.073 29.586 29.700 -0.068 0.000 0.758 339 E HN 0.162 nan 8.360 nan 0.000 0.467 340 K N 1.839 122.175 120.400 -0.106 0.000 2.097 340 K HA -0.173 4.174 4.320 0.045 0.000 0.205 340 K C 2.182 178.731 176.600 -0.086 0.000 1.050 340 K CA 1.152 57.363 56.287 -0.127 0.000 0.938 340 K CB 0.066 32.508 32.500 -0.097 0.000 0.718 340 K HN -0.115 nan 8.250 nan 0.000 0.442 341 K N 0.987 121.352 120.400 -0.058 0.000 2.057 341 K HA -0.186 4.161 4.320 0.045 0.000 0.207 341 K C 1.628 178.202 176.600 -0.044 0.000 1.049 341 K CA 1.766 58.026 56.287 -0.045 0.000 0.931 341 K CB 0.018 32.496 32.500 -0.037 0.000 0.714 341 K HN 0.243 nan 8.250 nan 0.000 0.440 342 E N 0.649 120.819 120.200 -0.049 0.000 2.085 342 E HA -0.217 4.160 4.350 0.045 0.000 0.194 342 E C 2.006 178.577 176.600 -0.049 0.000 0.994 342 E CA 1.198 57.573 56.400 -0.043 0.000 0.801 342 E CB -0.132 29.545 29.700 -0.039 0.000 0.743 342 E HN 0.193 nan 8.360 nan 0.000 0.453 343 L N 0.939 122.116 121.223 -0.078 0.000 2.017 343 L HA -0.159 4.208 4.340 0.045 0.000 0.208 343 L C 2.032 178.873 176.870 -0.049 0.000 1.073 343 L CA 1.548 56.338 54.840 -0.083 0.000 0.745 343 L CB -0.377 41.585 42.059 -0.161 0.000 0.894 343 L HN 0.117 nan 8.230 nan 0.000 0.432 344 L N -0.613 120.596 121.223 -0.024 0.000 2.046 344 L HA -0.229 4.138 4.340 0.045 0.000 0.208 344 L C 2.555 179.481 176.870 0.094 0.000 1.077 344 L CA 1.552 56.425 54.840 0.056 0.000 0.747 344 L CB -0.583 41.507 42.059 0.053 0.000 0.896 344 L HN 0.359 nan 8.230 nan 0.000 0.432 345 E N -0.383 119.830 120.200 0.022 0.000 2.085 345 E HA -0.295 4.082 4.350 0.045 0.000 0.194 345 E C 2.235 178.847 176.600 0.019 0.000 0.994 345 E CA 1.286 57.698 56.400 0.019 0.000 0.801 345 E CB -0.069 29.624 29.700 -0.012 0.000 0.743 345 E HN 0.252 nan 8.360 nan 0.000 0.453 346 R N 1.113 121.601 120.500 -0.021 0.000 2.073 346 R HA -0.108 4.259 4.340 0.045 0.000 0.234 346 R C 2.204 178.422 176.300 -0.137 0.000 1.134 346 R CA 1.127 57.193 56.100 -0.056 0.000 0.952 346 R CB -0.454 29.813 30.300 -0.055 0.000 0.850 346 R HN 0.121 nan 8.270 nan 0.000 0.433 347 L N -0.780 120.321 121.223 -0.203 0.000 1.989 347 L HA -0.217 4.150 4.340 0.045 0.000 0.211 347 L C 2.265 178.780 176.870 -0.592 0.000 1.071 347 L CA 1.711 56.214 54.840 -0.561 0.000 0.749 347 L CB -0.676 41.063 42.059 -0.533 0.000 0.890 347 L HN 0.247 nan 8.230 nan 0.000 0.431 348 Y N -0.261 119.890 120.300 -0.249 0.000 2.165 348 Y HA -0.288 4.289 4.550 0.044 0.000 0.286 348 Y C 2.911 178.782 175.900 -0.049 0.000 1.155 348 Y CA 1.591 59.639 58.100 -0.088 0.000 1.164 348 Y CB -0.302 38.144 38.460 -0.023 0.000 0.978 348 Y HN 0.085 nan 8.280 nan 0.000 0.513 349 R N 0.644 121.182 120.500 0.064 0.000 2.091 349 R HA -0.180 4.187 4.340 0.045 0.000 0.238 349 R C 1.784 178.099 176.300 0.025 0.000 1.136 349 R CA 1.826 57.952 56.100 0.043 0.000 0.959 349 R CB -0.130 30.180 30.300 0.017 0.000 0.856 349 R HN 0.344 nan 8.270 nan 0.000 0.437 350 E N -0.523 119.652 120.200 -0.042 0.000 2.285 350 E HA -0.141 4.236 4.350 0.045 0.000 0.194 350 E C 1.197 177.904 176.600 0.179 0.000 0.997 350 E CA 0.661 57.061 56.400 -0.000 0.000 0.845 350 E CB 0.114 29.761 29.700 -0.087 0.000 0.782 350 E HN 0.463 nan 8.360 nan 0.000 0.491 351 Y N 1.099 121.393 120.300 -0.010 0.000 2.482 351 Y HA 0.091 4.669 4.550 0.046 0.000 0.270 351 Y C 1.394 177.299 175.900 0.009 0.000 1.152 351 Y CA -0.146 57.947 58.100 -0.012 0.000 1.292 351 Y CB -0.197 38.227 38.460 -0.059 0.000 1.070 351 Y HN -0.083 nan 8.280 nan 0.000 0.528 352 Q N 0.000 119.905 119.800 0.175 0.000 2.315 352 Q HA 0.000 4.367 4.340 0.045 0.000 0.214 352 Q CA 0.000 55.875 55.803 0.120 0.000 1.022 352 Q CB 0.000 28.795 28.738 0.095 0.000 1.108 352 Q HN 0.000 nan 8.270 nan 0.000 0.481