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 2z3k_1_A DATA FIRST_RESID 2 DATA SEQUENCE RLVQLSRHSI AFPSPEGALR EPNGLLALGG DLSPARLLMA YQRGIFPWFS DATA SEQUENCE PGDPILWWSP DPRAVLWPES LHISRSMKRF HKRSPYRVTM NYAFGQVIEG DATA SEQUENCE CASDREEGTW ITRGVVEAYH RLHELGHAHS IEVWREDELV GGMYGVAQGT DATA SEQUENCE LFCGESMFSR MENASKTALL VFCEEFIGHG GKLIDCQVLN DHTASLGACE DATA SEQUENCE IPRRDYLNYL NQMRLGRLPN NFWVPRCLFS P 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.278 176.300 -0.036 0.000 0.893 2 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 2 R CB 0.000 30.285 30.300 -0.026 0.000 0.687 3 L N 2.587 123.786 121.223 -0.040 0.000 2.435 3 L HA 0.363 4.704 4.340 0.001 0.000 0.253 3 L C 0.180 177.022 176.870 -0.045 0.000 1.087 3 L CA -0.539 54.271 54.840 -0.050 0.000 0.950 3 L CB 1.318 43.342 42.059 -0.058 0.000 1.304 3 L HN -0.143 nan 8.230 nan 0.000 0.453 4 V N 3.572 123.459 119.914 -0.045 0.000 2.832 4 V HA -0.176 3.945 4.120 0.001 0.000 0.299 4 V C 0.117 176.181 176.094 -0.050 0.000 1.201 4 V CA 0.616 62.886 62.300 -0.050 0.000 1.325 4 V CB 1.095 32.883 31.823 -0.058 0.000 0.871 4 V HN 0.909 nan 8.190 nan 0.000 0.509 5 Q N 5.835 125.601 119.800 -0.057 0.000 2.293 5 Q HA 0.552 4.892 4.340 0.001 0.000 0.261 5 Q C -0.908 175.037 176.000 -0.092 0.000 0.960 5 Q CA -0.425 55.347 55.803 -0.052 0.000 0.882 5 Q CB 1.529 30.241 28.738 -0.042 0.000 1.275 5 Q HN 0.824 nan 8.270 nan 0.000 0.445 6 L N 2.266 123.422 121.223 -0.113 0.000 2.417 6 L HA 0.423 4.764 4.340 0.001 0.000 0.268 6 L C 0.154 176.943 176.870 -0.135 0.000 1.158 6 L CA -0.510 54.207 54.840 -0.205 0.000 0.819 6 L CB 1.410 43.271 42.059 -0.329 0.000 1.112 6 L HN 0.640 nan 8.230 nan 0.000 0.458 7 S N 1.604 117.215 115.700 -0.148 0.000 2.472 7 S HA 0.249 4.720 4.470 0.001 0.000 0.303 7 S C 0.880 175.443 174.600 -0.060 0.000 1.099 7 S CA -0.760 57.393 58.200 -0.078 0.000 1.077 7 S CB 1.495 64.659 63.200 -0.059 0.000 1.031 7 S HN 0.691 nan 8.310 nan 0.000 0.487 8 R N 2.722 123.209 120.500 -0.023 0.000 2.159 8 R HA -0.152 4.189 4.340 0.001 0.000 0.237 8 R C 1.848 178.144 176.300 -0.008 0.000 1.131 8 R CA 1.542 57.632 56.100 -0.018 0.000 0.982 8 R CB -0.674 29.624 30.300 -0.003 0.000 0.868 8 R HN 0.922 nan 8.270 nan 0.000 0.453 9 H N 0.498 119.526 119.070 -0.070 0.000 2.265 9 H HA -0.112 4.445 4.556 0.001 0.000 0.293 9 H C 0.591 175.875 175.328 -0.074 0.000 1.089 9 H CA 1.946 57.956 56.048 -0.063 0.000 1.244 9 H CB -0.050 29.675 29.762 -0.061 0.000 1.355 9 H HN 0.328 nan 8.280 nan 0.000 0.485 10 S N -0.518 115.220 115.700 0.064 0.000 2.759 10 S HA 0.429 4.899 4.470 0.001 0.000 0.310 10 S C 0.421 174.945 174.600 -0.128 0.000 1.123 10 S CA -0.820 57.363 58.200 -0.028 0.000 0.959 10 S CB 1.716 64.964 63.200 0.081 0.000 1.172 10 S HN 0.200 nan 8.310 nan 0.000 0.539 11 I N 1.021 121.507 120.570 -0.140 0.000 3.736 11 I HA 0.347 4.517 4.170 0.001 0.000 0.338 11 I C 0.797 176.763 176.117 -0.252 0.000 1.558 11 I CA -0.288 60.891 61.300 -0.203 0.000 1.147 11 I CB -0.844 37.104 38.000 -0.087 0.000 1.275 11 I HN 0.745 nan 8.210 nan 0.000 0.454 12 A N 0.863 123.520 122.820 -0.273 0.000 2.331 12 A HA 0.694 5.014 4.320 0.001 0.000 0.283 12 A C -0.862 176.480 177.584 -0.404 0.000 1.142 12 A CA -0.008 51.899 52.037 -0.216 0.000 0.812 12 A CB 0.408 19.336 19.000 -0.121 0.000 1.074 12 A HN 0.199 nan 8.150 nan 0.000 0.497 13 F N 2.531 122.393 119.950 -0.147 0.000 2.522 13 F HA 0.537 5.064 4.527 0.001 0.000 0.324 13 F C -1.620 174.109 175.800 -0.118 0.000 1.077 13 F CA -1.678 56.215 58.000 -0.178 0.000 0.944 13 F CB 2.150 41.031 39.000 -0.199 0.000 1.175 13 F HN 0.451 nan 8.300 nan 0.000 0.468 14 P HA 0.087 nan 4.420 nan 0.000 0.277 14 P C -0.605 176.717 177.300 0.037 0.000 1.240 14 P CA -0.385 62.735 63.100 0.034 0.000 0.798 14 P CB 1.429 33.131 31.700 0.003 0.000 0.979 15 S N 2.072 117.781 115.700 0.015 0.000 2.544 15 S HA 0.046 4.517 4.470 0.001 0.000 0.290 15 S C -1.332 173.268 174.600 0.000 0.000 1.276 15 S CA -0.786 57.419 58.200 0.008 0.000 1.075 15 S CB -0.385 62.817 63.200 0.003 0.000 0.849 15 S HN 0.240 nan 8.310 nan 0.000 0.494 16 P HA -0.085 nan 4.420 nan 0.000 0.219 16 P C 1.071 178.368 177.300 -0.006 0.000 1.146 16 P CA 0.826 63.920 63.100 -0.011 0.000 0.808 16 P CB 0.105 31.807 31.700 0.002 0.000 0.779 17 E N -0.898 119.303 120.200 0.001 0.000 2.401 17 E HA -0.054 4.297 4.350 0.001 0.000 0.199 17 E C 1.889 178.486 176.600 -0.006 0.000 1.023 17 E CA 1.175 57.576 56.400 0.001 0.000 0.859 17 E CB -0.893 28.809 29.700 0.003 0.000 0.780 17 E HN 0.310 nan 8.360 nan 0.000 0.523 18 G N 0.504 109.297 108.800 -0.012 0.000 3.189 18 G HA2 0.295 4.255 3.960 0.001 0.000 0.225 18 G HA3 0.295 4.255 3.960 0.001 0.000 0.225 18 G C 0.650 175.532 174.900 -0.030 0.000 1.159 18 G CA 0.290 45.379 45.100 -0.019 0.000 0.763 18 G HN 0.265 nan 8.290 nan 0.000 0.549 19 A N -0.010 122.790 122.820 -0.033 0.000 2.429 19 A HA 0.552 4.873 4.320 0.001 0.000 0.242 19 A C 0.535 178.092 177.584 -0.046 0.000 1.088 19 A CA -0.197 51.807 52.037 -0.054 0.000 0.784 19 A CB 0.336 19.306 19.000 -0.050 0.000 1.038 19 A HN 0.275 nan 8.150 nan 0.000 0.501 20 L N 0.105 121.290 121.223 -0.064 0.000 2.472 20 L HA 0.263 4.604 4.340 0.001 0.000 0.260 20 L C 1.926 178.789 176.870 -0.012 0.000 1.209 20 L CA -0.101 54.713 54.840 -0.043 0.000 0.817 20 L CB 0.418 42.441 42.059 -0.061 0.000 1.106 20 L HN 0.979 nan 8.230 nan 0.000 0.479 21 R N 0.387 120.885 120.500 -0.003 0.000 2.265 21 R HA 0.074 4.415 4.340 0.001 0.000 0.194 21 R C -0.514 175.798 176.300 0.020 0.000 0.931 21 R CA 0.373 56.478 56.100 0.009 0.000 1.032 21 R CB 0.586 30.889 30.300 0.005 0.000 0.980 21 R HN 0.619 nan 8.270 nan 0.000 0.497 22 E N 1.003 121.216 120.200 0.022 0.000 2.846 22 E HA 0.127 4.477 4.350 0.001 0.000 0.363 22 E C -2.704 173.918 176.600 0.037 0.000 0.933 22 E CA -1.434 54.987 56.400 0.035 0.000 0.766 22 E CB 0.894 30.608 29.700 0.022 0.000 1.404 22 E HN 0.082 nan 8.360 nan 0.000 0.408 23 P HA 0.044 nan 4.420 nan 0.000 0.258 23 P C -0.203 177.200 177.300 0.173 0.000 1.187 23 P CA -0.163 63.026 63.100 0.149 0.000 0.767 23 P CB 0.384 32.230 31.700 0.245 0.000 0.770 24 N N 2.589 121.376 118.700 0.145 0.000 2.386 24 N HA -0.017 4.724 4.740 0.001 0.000 0.273 24 N C 1.492 177.134 175.510 0.221 0.000 1.331 24 N CA 1.799 54.920 53.050 0.120 0.000 0.891 24 N CB -0.278 38.241 38.487 0.054 0.000 1.139 24 N HN 0.779 nan 8.380 nan 0.000 0.487 25 G N 3.158 112.037 108.800 0.132 0.000 2.232 25 G HA2 -0.238 3.723 3.960 0.001 0.000 0.226 25 G HA3 -0.238 3.723 3.960 0.001 0.000 0.226 25 G C 0.376 175.247 174.900 -0.048 0.000 0.996 25 G CA -0.155 45.020 45.100 0.125 0.000 0.626 25 G HN 0.578 nan 8.290 nan 0.000 0.509 26 L N 1.230 122.295 121.223 -0.264 0.000 2.700 26 L HA 0.211 4.551 4.340 0.001 0.000 0.272 26 L C 1.631 178.255 176.870 -0.411 0.000 1.176 26 L CA 0.599 54.968 54.840 -0.785 0.000 0.961 26 L CB 0.744 42.427 42.059 -0.627 0.000 1.249 26 L HN 0.394 nan 8.230 nan 0.000 0.487 27 L N 5.280 126.264 121.223 -0.398 0.000 2.547 27 L HA 0.547 4.887 4.340 0.001 0.000 0.218 27 L C 0.257 177.066 176.870 -0.102 0.000 1.048 27 L CA 1.010 55.743 54.840 -0.179 0.000 0.859 27 L CB 0.427 42.421 42.059 -0.109 0.000 1.128 27 L HN 0.617 nan 8.230 nan 0.000 0.483 28 A N -0.352 122.431 122.820 -0.063 0.000 2.597 28 A HA 0.606 4.926 4.320 0.001 0.000 0.292 28 A C -1.700 176.001 177.584 0.196 0.000 1.057 28 A CA -0.257 51.805 52.037 0.042 0.000 0.674 28 A CB 0.563 19.594 19.000 0.051 0.000 1.278 28 A HN 0.325 nan 8.150 nan 0.000 0.416 29 L N -0.714 120.603 121.223 0.156 0.000 2.283 29 L HA 1.019 5.360 4.340 0.001 0.000 0.259 29 L C 0.429 177.418 176.870 0.197 0.000 1.027 29 L CA -0.285 54.672 54.840 0.195 0.000 0.828 29 L CB 1.648 43.730 42.059 0.038 0.000 1.380 29 L HN 2.546 nan 8.230 nan 0.000 0.425 30 G N -0.550 108.359 108.800 0.182 0.000 2.512 30 G HA2 0.360 4.321 3.960 0.001 0.000 0.210 30 G HA3 0.360 4.321 3.960 0.001 0.000 0.210 30 G C 0.289 175.342 174.900 0.256 0.000 1.295 30 G CA -0.138 45.041 45.100 0.132 0.000 0.934 30 G HN 2.514 nan 8.290 nan 0.000 0.554 31 G N -0.338 108.526 108.800 0.106 0.000 2.509 31 G HA2 0.375 4.335 3.960 0.001 0.000 0.259 31 G HA3 0.375 4.335 3.960 0.001 0.000 0.259 31 G C -0.055 174.941 174.900 0.160 0.000 1.169 31 G CA 1.332 46.485 45.100 0.088 0.000 0.953 31 G HN 2.792 nan 8.290 nan 0.000 0.563 32 D N -1.559 118.995 120.400 0.256 0.000 2.768 32 D HA 0.437 5.078 4.640 0.001 0.000 0.327 32 D C -0.110 176.420 176.300 0.382 0.000 1.302 32 D CA -0.716 53.427 54.000 0.239 0.000 0.897 32 D CB 0.881 41.758 40.800 0.129 0.000 1.420 32 D HN 0.671 nan 8.370 nan 0.000 0.494 33 L N 1.111 122.503 121.223 0.281 0.000 3.094 33 L HA 0.176 4.517 4.340 0.001 0.000 0.254 33 L C 0.681 177.661 176.870 0.185 0.000 1.298 33 L CA -0.362 54.656 54.840 0.298 0.000 1.050 33 L CB 0.390 42.599 42.059 0.250 0.000 1.420 33 L HN 0.388 nan 8.230 nan 0.000 0.548 34 S N -1.682 114.114 115.700 0.160 0.000 2.592 34 S HA 0.311 4.781 4.470 0.001 0.000 0.271 34 S C -1.705 172.941 174.600 0.076 0.000 1.326 34 S CA -1.019 57.234 58.200 0.088 0.000 1.024 34 S CB 1.347 64.583 63.200 0.060 0.000 0.921 34 S HN -0.050 nan 8.310 nan 0.000 0.527 35 P HA -0.236 nan 4.420 nan 0.000 0.214 35 P C 1.797 179.098 177.300 0.002 0.000 1.172 35 P CA 2.482 65.571 63.100 -0.018 0.000 0.925 35 P CB -0.376 31.299 31.700 -0.040 0.000 0.793 36 A N -0.624 122.199 122.820 0.004 0.000 1.909 36 A HA -0.344 3.977 4.320 0.001 0.000 0.221 36 A C 2.358 179.980 177.584 0.064 0.000 1.223 36 A CA 2.525 54.570 52.037 0.014 0.000 0.658 36 A CB -1.423 17.578 19.000 0.002 0.000 0.831 36 A HN 0.059 nan 8.150 nan 0.000 0.462 37 R N -0.972 119.583 120.500 0.091 0.000 2.075 37 R HA -0.045 4.295 4.340 0.001 0.000 0.230 37 R C 2.300 178.780 176.300 0.300 0.000 1.140 37 R CA 1.576 57.774 56.100 0.162 0.000 0.928 37 R CB -0.560 29.824 30.300 0.140 0.000 0.834 37 R HN 0.577 nan 8.270 nan 0.000 0.429 38 L N 0.731 122.148 121.223 0.324 0.000 1.997 38 L HA -0.294 4.046 4.340 0.001 0.000 0.216 38 L C 2.434 179.529 176.870 0.376 0.000 1.074 38 L CA 1.149 56.228 54.840 0.398 0.000 0.763 38 L CB -0.605 41.605 42.059 0.251 0.000 0.890 38 L HN 0.269 nan 8.230 nan 0.000 0.434 39 L N -1.187 120.160 121.223 0.206 0.000 2.043 39 L HA -0.260 4.080 4.340 0.001 0.000 0.212 39 L C 2.511 179.487 176.870 0.177 0.000 1.075 39 L CA 1.910 56.839 54.840 0.148 0.000 0.752 39 L CB -1.109 40.928 42.059 -0.037 0.000 0.891 39 L HN 0.377 nan 8.230 nan 0.000 0.432 40 M N -0.245 119.453 119.600 0.162 0.000 2.117 40 M HA -0.115 4.365 4.480 0.001 0.000 0.262 40 M C 2.247 178.571 176.300 0.041 0.000 1.065 40 M CA 1.902 57.295 55.300 0.156 0.000 1.114 40 M CB -0.593 32.155 32.600 0.246 0.000 1.361 40 M HN 0.171 nan 8.290 nan 0.000 0.408 41 A N -0.934 121.834 122.820 -0.087 0.000 1.845 41 A HA -0.198 4.123 4.320 0.001 0.000 0.215 41 A C 2.038 179.476 177.584 -0.244 0.000 1.195 41 A CA 1.908 53.633 52.037 -0.521 0.000 0.616 41 A CB -1.444 17.304 19.000 -0.419 0.000 0.832 41 A HN 0.594 nan 8.150 nan 0.000 0.443 42 Y N 0.074 120.411 120.300 0.062 0.000 2.207 42 Y HA -0.240 4.311 4.550 0.001 0.000 0.287 42 Y C 2.742 178.695 175.900 0.088 0.000 1.156 42 Y CA 1.775 59.944 58.100 0.116 0.000 1.182 42 Y CB -0.482 38.057 38.460 0.131 0.000 0.979 42 Y HN 0.408 nan 8.280 nan 0.000 0.521 43 Q N -0.082 119.833 119.800 0.192 0.000 2.135 43 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 43 Q C 1.542 177.587 176.000 0.075 0.000 0.981 43 Q CA 1.588 57.469 55.803 0.129 0.000 0.856 43 Q CB -0.116 28.686 28.738 0.106 0.000 0.902 43 Q HN 0.489 nan 8.270 nan 0.000 0.425 44 R N -1.318 119.194 120.500 0.020 0.000 2.393 44 R HA 0.169 4.510 4.340 0.001 0.000 0.244 44 R C 0.571 176.870 176.300 -0.001 0.000 0.920 44 R CA 0.461 56.556 56.100 -0.008 0.000 1.076 44 R CB 0.934 31.210 30.300 -0.039 0.000 1.119 44 R HN 0.275 nan 8.270 nan 0.000 0.524 45 G N 1.710 110.546 108.800 0.060 0.000 2.171 45 G HA2 -0.253 3.707 3.960 0.001 0.000 0.238 45 G HA3 -0.253 3.707 3.960 0.001 0.000 0.238 45 G C -0.047 174.891 174.900 0.063 0.000 1.039 45 G CA -0.128 45.088 45.100 0.193 0.000 0.759 45 G HN 0.238 nan 8.290 nan 0.000 0.501 46 I N -0.384 120.112 120.570 -0.122 0.000 2.740 46 I HA 0.864 5.035 4.170 0.001 0.000 0.303 46 I C -0.002 175.977 176.117 -0.229 0.000 1.044 46 I CA -1.535 59.609 61.300 -0.258 0.000 1.064 46 I CB 1.867 39.589 38.000 -0.465 0.000 1.249 46 I HN 0.210 nan 8.210 nan 0.000 0.433 47 F N 3.621 123.550 119.950 -0.035 0.000 2.619 47 F HA 0.743 5.270 4.527 0.001 0.000 0.308 47 F C -3.164 172.730 175.800 0.157 0.000 1.097 47 F CA -2.799 55.154 58.000 -0.078 0.000 0.953 47 F CB 1.053 39.969 39.000 -0.140 0.000 1.287 47 F HN 0.063 nan 8.300 nan 0.000 0.446 48 P HA 0.308 nan 4.420 nan 0.000 0.282 48 P C -1.699 175.728 177.300 0.212 0.000 1.249 48 P CA 0.054 63.149 63.100 -0.008 0.000 0.806 48 P CB 1.815 33.282 31.700 -0.388 0.000 0.984 49 W N 5.239 126.539 121.300 0.000 0.000 4.179 49 W HA 0.486 5.146 4.660 0.001 0.000 0.279 49 W C -2.274 174.264 176.519 0.032 0.000 1.268 49 W CA -0.259 56.736 57.345 -0.583 0.000 1.284 49 W CB 0.857 29.815 29.460 -0.837 0.000 1.216 49 W HN 0.434 nan 8.180 nan 0.000 0.509 50 F N 2.776 122.305 119.950 -0.702 0.000 2.725 50 F HA 0.663 5.191 4.527 0.001 0.000 0.309 50 F C -0.644 174.818 175.800 -0.564 0.000 1.132 50 F CA -1.086 56.655 58.000 -0.432 0.000 0.957 50 F CB 0.324 39.309 39.000 -0.026 0.000 1.286 50 F HN 0.250 nan 8.300 nan 0.000 0.440 51 S N 0.355 115.893 115.700 -0.270 0.000 2.601 51 S HA 0.684 5.154 4.470 0.001 0.000 0.271 51 S C -2.912 171.718 174.600 0.050 0.000 1.305 51 S CA -1.403 56.689 58.200 -0.179 0.000 1.022 51 S CB 0.921 64.079 63.200 -0.070 0.000 0.940 51 S HN 0.537 nan 8.310 nan 0.000 0.525 52 P HA 0.237 nan 4.420 nan 0.000 0.261 52 P C 1.138 178.488 177.300 0.083 0.000 1.173 52 P CA 1.465 64.602 63.100 0.061 0.000 0.760 52 P CB 0.120 31.818 31.700 -0.002 0.000 0.783 53 G N 2.338 111.200 108.800 0.103 0.000 2.424 53 G HA2 -0.169 3.792 3.960 0.001 0.000 0.207 53 G HA3 -0.169 3.792 3.960 0.001 0.000 0.207 53 G C 0.082 175.025 174.900 0.071 0.000 1.061 53 G CA -0.321 44.821 45.100 0.071 0.000 0.657 53 G HN 0.504 nan 8.290 nan 0.000 0.508 54 D N 2.903 123.369 120.400 0.110 0.000 2.377 54 D HA 0.502 5.142 4.640 0.001 0.000 0.245 54 D C -1.559 174.704 176.300 -0.061 0.000 1.196 54 D CA -0.433 53.608 54.000 0.069 0.000 0.962 54 D CB 0.899 41.782 40.800 0.138 0.000 1.127 54 D HN 0.319 nan 8.370 nan 0.000 0.471 55 P HA 0.277 nan 4.420 nan 0.000 0.278 55 P C -0.057 176.878 177.300 -0.609 0.000 1.266 55 P CA -0.460 62.479 63.100 -0.267 0.000 0.807 55 P CB 0.832 32.458 31.700 -0.123 0.000 1.094 56 I N 0.629 120.753 120.570 -0.743 0.000 2.668 56 I HA -0.007 4.164 4.170 0.001 0.000 0.285 56 I C 0.532 176.401 176.117 -0.415 0.000 1.168 56 I CA 0.465 61.160 61.300 -1.009 0.000 1.424 56 I CB -0.372 37.368 38.000 -0.433 0.000 1.377 56 I HN 0.050 nan 8.210 nan 0.000 0.560 57 L N 6.353 127.449 121.223 -0.213 0.000 2.341 57 L HA 0.461 4.801 4.340 0.001 0.000 0.278 57 L C -1.077 175.712 176.870 -0.135 0.000 1.005 57 L CA -0.638 54.198 54.840 -0.007 0.000 0.818 57 L CB 1.401 43.655 42.059 0.325 0.000 1.259 57 L HN 0.526 nan 8.230 nan 0.000 0.418 58 W N 1.366 122.639 121.300 -0.045 0.000 2.606 58 W HA 0.574 5.235 4.660 0.001 0.000 0.332 58 W C -0.887 175.375 176.519 -0.429 0.000 1.052 58 W CA -0.197 57.136 57.345 -0.021 0.000 1.223 58 W CB 1.377 30.875 29.460 0.065 0.000 1.383 58 W HN 0.302 nan 8.180 nan 0.000 0.524 59 W N 0.513 121.637 121.300 -0.292 0.000 2.975 59 W HA 0.619 5.279 4.660 0.001 0.000 0.342 59 W C -0.275 175.783 176.519 -0.767 0.000 1.168 59 W CA -1.358 55.632 57.345 -0.591 0.000 1.141 59 W CB 1.792 30.739 29.460 -0.853 0.000 1.445 59 W HN 0.110 nan 8.180 nan 0.000 0.560 60 S N 2.502 118.056 115.700 -0.244 0.000 2.769 60 S HA 0.252 4.722 4.470 0.001 0.000 0.150 60 S C -2.807 171.769 174.600 -0.041 0.000 1.034 60 S CA -0.837 57.264 58.200 -0.165 0.000 1.096 60 S CB -0.004 63.140 63.200 -0.095 0.000 1.567 60 S HN 0.183 nan 8.310 nan 0.000 0.435 61 P HA 0.405 nan 4.420 nan 0.000 0.272 61 P C -1.046 176.266 177.300 0.020 0.000 1.240 61 P CA 0.008 63.130 63.100 0.035 0.000 0.791 61 P CB 0.644 32.369 31.700 0.043 0.000 0.978 62 D N 0.706 121.119 120.400 0.022 0.000 2.616 62 D HA 0.309 4.950 4.640 0.001 0.000 0.238 62 D C -2.349 173.961 176.300 0.017 0.000 1.354 62 D CA -2.044 51.970 54.000 0.024 0.000 0.970 62 D CB 1.214 42.031 40.800 0.028 0.000 1.369 62 D HN 0.157 nan 8.370 nan 0.000 0.585 63 P HA 0.324 nan 4.420 nan 0.000 0.282 63 P C -0.518 176.778 177.300 -0.007 0.000 1.286 63 P CA -0.551 62.561 63.100 0.020 0.000 0.777 63 P CB 0.921 32.636 31.700 0.024 0.000 1.184 64 R N -0.780 119.707 120.500 -0.021 0.000 2.670 64 R HA 0.653 4.994 4.340 0.001 0.000 0.289 64 R C -1.028 175.209 176.300 -0.105 0.000 0.965 64 R CA -0.754 55.276 56.100 -0.118 0.000 0.899 64 R CB 1.108 31.247 30.300 -0.269 0.000 1.173 64 R HN 0.580 nan 8.270 nan 0.000 0.456 65 A N 2.967 125.703 122.820 -0.140 0.000 2.331 65 A HA 0.658 4.979 4.320 0.001 0.000 0.283 65 A C -0.885 176.615 177.584 -0.139 0.000 1.142 65 A CA -0.438 51.532 52.037 -0.111 0.000 0.812 65 A CB 0.970 19.899 19.000 -0.118 0.000 1.074 65 A HN 0.493 nan 8.150 nan 0.000 0.497 66 V N 2.250 122.099 119.914 -0.108 0.000 3.114 66 V HA 0.575 4.696 4.120 0.001 0.000 0.308 66 V C -1.543 174.436 176.094 -0.192 0.000 1.168 66 V CA -0.585 61.613 62.300 -0.169 0.000 1.015 66 V CB 2.245 33.949 31.823 -0.198 0.000 1.050 66 V HN 0.919 nan 8.190 nan 0.000 0.433 67 L N 3.372 124.457 121.223 -0.229 0.000 2.372 67 L HA 0.598 4.938 4.340 0.001 0.000 0.273 67 L C -1.348 175.430 176.870 -0.153 0.000 0.989 67 L CA -0.183 54.580 54.840 -0.128 0.000 0.841 67 L CB 1.373 43.428 42.059 -0.008 0.000 1.225 67 L HN 0.684 nan 8.230 nan 0.000 0.414 68 W N 7.936 129.290 121.300 0.090 0.000 2.605 68 W HA 0.267 4.927 4.660 0.001 0.000 0.327 68 W C -1.139 175.444 176.519 0.105 0.000 1.332 68 W CA -1.146 56.248 57.345 0.081 0.000 1.403 68 W CB 0.280 29.764 29.460 0.040 0.000 1.452 68 W HN 0.561 nan 8.180 nan 0.000 0.503 69 P HA -0.329 nan 4.420 nan 0.000 0.222 69 P C 1.128 178.554 177.300 0.210 0.000 1.155 69 P CA 2.049 65.325 63.100 0.293 0.000 0.890 69 P CB 0.287 32.190 31.700 0.337 0.000 0.790 70 E N -1.319 119.005 120.200 0.208 0.000 2.107 70 E HA -0.038 4.313 4.350 0.001 0.000 0.191 70 E C 1.257 177.932 176.600 0.125 0.000 0.982 70 E CA 0.798 57.277 56.400 0.131 0.000 0.809 70 E CB -0.192 29.563 29.700 0.091 0.000 0.756 70 E HN 0.158 nan 8.360 nan 0.000 0.459 71 S N 0.987 116.796 115.700 0.183 0.000 2.754 71 S HA 0.038 4.509 4.470 0.001 0.000 0.223 71 S C 0.202 174.891 174.600 0.147 0.000 0.951 71 S CA -0.260 58.037 58.200 0.161 0.000 0.954 71 S CB -0.178 63.150 63.200 0.213 0.000 0.780 71 S HN 0.129 nan 8.310 nan 0.000 0.509 72 L N 3.841 125.137 121.223 0.122 0.000 2.562 72 L HA 0.092 4.433 4.340 0.001 0.000 0.271 72 L C 0.253 177.163 176.870 0.067 0.000 1.167 72 L CA 0.399 55.293 54.840 0.090 0.000 0.917 72 L CB -0.152 41.946 42.059 0.066 0.000 1.187 72 L HN 0.250 nan 8.230 nan 0.000 0.482 73 H N 7.002 126.074 119.070 0.003 0.000 2.668 73 H HA 0.287 4.844 4.556 0.001 0.000 0.303 73 H C -1.056 174.254 175.328 -0.029 0.000 1.074 73 H CA -0.520 55.522 56.048 -0.010 0.000 1.406 73 H CB 0.809 30.561 29.762 -0.017 0.000 1.442 73 H HN 0.471 nan 8.280 nan 0.000 0.482 74 I N 5.449 125.677 120.570 -0.571 0.000 2.439 74 I HA 0.010 4.181 4.170 0.001 0.000 0.283 74 I C 0.820 176.698 176.117 -0.398 0.000 1.023 74 I CA -0.570 60.524 61.300 -0.343 0.000 1.100 74 I CB 1.000 38.890 38.000 -0.184 0.000 1.238 74 I HN 0.576 nan 8.210 nan 0.000 0.445 75 S N 6.285 121.864 115.700 -0.202 0.000 2.563 75 S HA 0.140 4.610 4.470 0.001 0.000 0.269 75 S C 1.241 175.812 174.600 -0.049 0.000 1.364 75 S CA -0.034 58.129 58.200 -0.062 0.000 1.010 75 S CB 1.057 64.275 63.200 0.030 0.000 0.877 75 S HN 0.629 nan 8.310 nan 0.000 0.549 76 R N 0.753 121.250 120.500 -0.006 0.000 2.115 76 R HA -0.052 4.289 4.340 0.001 0.000 0.226 76 R C 2.749 179.070 176.300 0.036 0.000 1.100 76 R CA 1.352 57.458 56.100 0.010 0.000 0.980 76 R CB -0.512 29.800 30.300 0.019 0.000 0.875 76 R HN 0.910 nan 8.270 nan 0.000 0.445 77 S N 0.424 116.148 115.700 0.041 0.000 2.402 77 S HA -0.164 4.307 4.470 0.001 0.000 0.229 77 S C 1.934 176.595 174.600 0.102 0.000 1.021 77 S CA 0.994 59.233 58.200 0.065 0.000 0.974 77 S CB -0.122 63.107 63.200 0.048 0.000 0.800 77 S HN 0.138 nan 8.310 nan 0.000 0.484 78 M N 2.120 121.756 119.600 0.060 0.000 2.175 78 M HA 0.100 4.580 4.480 0.001 0.000 0.264 78 M C 1.776 178.176 176.300 0.166 0.000 1.063 78 M CA 1.469 56.815 55.300 0.076 0.000 1.119 78 M CB -0.569 32.023 32.600 -0.013 0.000 1.377 78 M HN 0.236 nan 8.290 nan 0.000 0.415 79 K N -0.850 119.614 120.400 0.107 0.000 2.031 79 K HA -0.124 4.197 4.320 0.001 0.000 0.205 79 K C 2.255 178.943 176.600 0.147 0.000 1.049 79 K CA 1.390 57.752 56.287 0.123 0.000 0.939 79 K CB -0.332 32.205 32.500 0.061 0.000 0.717 79 K HN 0.299 nan 8.250 nan 0.000 0.438 80 R N 0.504 121.076 120.500 0.121 0.000 2.103 80 R HA -0.180 4.161 4.340 0.001 0.000 0.242 80 R C 2.108 178.480 176.300 0.121 0.000 1.142 80 R CA 1.648 57.807 56.100 0.098 0.000 0.960 80 R CB -0.312 30.043 30.300 0.090 0.000 0.858 80 R HN 0.198 nan 8.270 nan 0.000 0.439 81 F N -0.455 119.518 119.950 0.039 0.000 2.206 81 F HA -0.130 4.398 4.527 0.001 0.000 0.298 81 F C 2.172 178.015 175.800 0.072 0.000 1.090 81 F CA 1.771 59.794 58.000 0.039 0.000 1.323 81 F CB -0.172 38.853 39.000 0.042 0.000 1.028 81 F HN 0.149 nan 8.300 nan 0.000 0.492 82 H N 0.342 119.535 119.070 0.205 0.000 2.495 82 H HA -0.026 4.531 4.556 0.001 0.000 0.287 82 H C 2.221 177.576 175.328 0.044 0.000 1.033 82 H CA 1.538 57.647 56.048 0.102 0.000 1.307 82 H CB -0.144 29.664 29.762 0.076 0.000 1.401 82 H HN 0.261 nan 8.280 nan 0.000 0.555 83 K N 0.373 120.759 120.400 -0.024 0.000 2.057 83 K HA -0.038 4.282 4.320 0.001 0.000 0.207 83 K C 0.659 177.191 176.600 -0.114 0.000 1.049 83 K CA 1.099 57.347 56.287 -0.066 0.000 0.931 83 K CB 0.180 32.671 32.500 -0.014 0.000 0.714 83 K HN 0.218 nan 8.250 nan 0.000 0.440 84 R N 1.048 121.452 120.500 -0.161 0.000 3.311 84 R HA 0.133 4.474 4.340 0.001 0.000 0.332 84 R C -0.415 175.688 176.300 -0.328 0.000 1.317 84 R CA -0.211 55.768 56.100 -0.202 0.000 1.192 84 R CB 0.964 31.152 30.300 -0.185 0.000 1.454 84 R HN 0.002 nan 8.270 nan 0.000 0.605 85 S N 2.366 117.904 115.700 -0.269 0.000 2.552 85 S HA 0.062 4.533 4.470 0.001 0.000 0.289 85 S C -1.258 173.192 174.600 -0.251 0.000 1.304 85 S CA -0.842 57.191 58.200 -0.278 0.000 1.063 85 S CB 0.622 63.893 63.200 0.118 0.000 0.848 85 S HN 0.286 nan 8.310 nan 0.000 0.499 86 P HA 0.206 nan 4.420 nan 0.000 0.274 86 P C -0.848 176.326 177.300 -0.211 0.000 1.352 86 P CA 0.026 62.902 63.100 -0.373 0.000 0.947 86 P CB -0.035 31.362 31.700 -0.505 0.000 1.437 87 Y N -0.070 120.356 120.300 0.209 0.000 2.567 87 Y HA 0.590 5.140 4.550 0.001 0.000 0.333 87 Y C 0.913 177.023 175.900 0.351 0.000 1.106 87 Y CA -1.333 56.924 58.100 0.261 0.000 1.157 87 Y CB 2.145 40.757 38.460 0.253 0.000 1.277 87 Y HN -0.358 nan 8.280 nan 0.000 0.490 88 R N 1.270 122.088 120.500 0.530 0.000 2.476 88 R HA 0.634 4.975 4.340 0.001 0.000 0.305 88 R C -2.119 174.459 176.300 0.463 0.000 0.965 88 R CA -0.559 55.806 56.100 0.442 0.000 0.867 88 R CB 1.448 31.923 30.300 0.292 0.000 1.176 88 R HN 0.536 nan 8.270 nan 0.000 0.447 89 V N 3.540 123.703 119.914 0.416 0.000 2.483 89 V HA 0.533 4.653 4.120 0.001 0.000 0.295 89 V C 0.095 176.285 176.094 0.161 0.000 1.035 89 V CA -0.472 61.978 62.300 0.251 0.000 0.896 89 V CB 1.720 33.662 31.823 0.198 0.000 0.986 89 V HN 0.988 nan 8.190 nan 0.000 0.447 90 T N 1.937 116.543 114.554 0.087 0.000 2.896 90 T HA 0.720 5.071 4.350 0.001 0.000 0.297 90 T C -0.742 173.977 174.700 0.033 0.000 1.108 90 T CA -0.755 61.297 62.100 -0.081 0.000 1.004 90 T CB 2.014 70.528 68.868 -0.590 0.000 1.159 90 T HN 0.612 nan 8.240 nan 0.000 0.499 91 M N 2.340 121.997 119.600 0.095 0.000 2.364 91 M HA 0.412 4.892 4.480 0.001 0.000 0.334 91 M C -0.360 176.157 176.300 0.363 0.000 1.107 91 M CA -0.279 55.140 55.300 0.198 0.000 0.988 91 M CB 0.733 33.392 32.600 0.099 0.000 1.673 91 M HN 0.847 nan 8.290 nan 0.000 0.441 92 N N 3.277 122.203 118.700 0.378 0.000 2.708 92 N HA -0.256 4.484 4.740 0.001 0.000 0.251 92 N C -0.455 175.335 175.510 0.466 0.000 1.017 92 N CA 0.971 54.275 53.050 0.423 0.000 0.742 92 N CB -1.198 37.587 38.487 0.497 0.000 0.943 92 N HN 0.680 nan 8.380 nan 0.000 0.539 93 Y N -0.482 119.975 120.300 0.261 0.000 2.262 93 Y HA 0.252 4.803 4.550 0.001 0.000 0.295 93 Y C 1.662 177.727 175.900 0.274 0.000 1.121 93 Y CA 1.362 59.627 58.100 0.275 0.000 1.144 93 Y CB 0.385 39.071 38.460 0.377 0.000 1.043 93 Y HN 0.260 nan 8.280 nan 0.000 0.528 94 A N -1.186 121.897 122.820 0.438 0.000 3.355 94 A HA 0.218 4.539 4.320 0.001 0.000 0.290 94 A C 0.638 178.288 177.584 0.109 0.000 0.973 94 A CA -0.566 51.643 52.037 0.286 0.000 0.933 94 A CB -1.326 17.887 19.000 0.354 0.000 1.138 94 A HN 0.391 nan 8.150 nan 0.000 0.490 95 F N 1.339 121.212 119.950 -0.130 0.000 2.087 95 F HA -0.186 4.342 4.527 0.001 0.000 0.299 95 F C 2.108 177.736 175.800 -0.287 0.000 1.100 95 F CA 2.826 60.610 58.000 -0.361 0.000 1.226 95 F CB -0.166 38.242 39.000 -0.987 0.000 0.983 95 F HN 0.431 nan 8.300 nan 0.000 0.479 96 G N -0.717 108.131 108.800 0.080 0.000 2.513 96 G HA2 -0.338 3.623 3.960 0.001 0.000 0.219 96 G HA3 -0.338 3.623 3.960 0.001 0.000 0.219 96 G C 1.482 176.311 174.900 -0.119 0.000 1.160 96 G CA 1.108 46.278 45.100 0.116 0.000 0.767 96 G HN 0.493 nan 8.290 nan 0.000 0.571 97 Q N -0.563 119.171 119.800 -0.110 0.000 2.172 97 Q HA 0.040 4.380 4.340 0.001 0.000 0.200 97 Q C 2.868 178.650 176.000 -0.363 0.000 0.964 97 Q CA 0.810 56.503 55.803 -0.183 0.000 0.855 97 Q CB -0.043 28.655 28.738 -0.066 0.000 0.918 97 Q HN 0.394 nan 8.270 nan 0.000 0.444 98 V N 1.008 120.698 119.914 -0.374 0.000 2.307 98 V HA -0.247 3.873 4.120 0.001 0.000 0.245 98 V C 2.117 177.815 176.094 -0.660 0.000 1.045 98 V CA 1.252 63.319 62.300 -0.388 0.000 1.024 98 V CB -0.396 31.264 31.823 -0.272 0.000 0.651 98 V HN 0.448 nan 8.190 nan 0.000 0.449 99 I N 0.440 120.487 120.570 -0.873 0.000 2.361 99 I HA -0.157 4.014 4.170 0.001 0.000 0.251 99 I C 2.512 178.229 176.117 -0.667 0.000 1.133 99 I CA 1.697 62.374 61.300 -1.039 0.000 1.413 99 I CB -0.584 36.707 38.000 -1.182 0.000 1.073 99 I HN 0.446 nan 8.210 nan 0.000 0.424 100 E N 0.101 119.978 120.200 -0.537 0.000 2.152 100 E HA -0.080 4.270 4.350 0.001 0.000 0.192 100 E C 2.147 178.426 176.600 -0.534 0.000 0.983 100 E CA 1.052 57.195 56.400 -0.428 0.000 0.818 100 E CB -0.479 29.037 29.700 -0.308 0.000 0.758 100 E HN 0.528 nan 8.360 nan 0.000 0.467 101 G N 1.182 109.486 108.800 -0.827 0.000 2.402 101 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 101 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 101 G C 1.856 176.193 174.900 -0.938 0.000 1.162 101 G CA 1.005 45.315 45.100 -1.318 0.000 0.777 101 G HN 0.301 nan 8.290 nan 0.000 0.539 102 C N 1.030 119.922 119.300 -0.681 0.000 2.453 102 C HA 0.237 4.698 4.460 0.001 0.000 0.277 102 C C 3.458 178.297 174.990 -0.252 0.000 1.262 102 C CA 0.605 59.474 59.018 -0.248 0.000 1.718 102 C CB -0.939 26.758 27.740 -0.072 0.000 2.031 102 C HN 0.543 nan 8.230 nan 0.000 0.480 103 A N 0.839 123.451 122.820 -0.347 0.000 2.234 103 A HA -0.075 4.245 4.320 0.001 0.000 0.216 103 A C 1.725 179.156 177.584 -0.255 0.000 1.167 103 A CA 1.877 53.717 52.037 -0.329 0.000 0.698 103 A CB -0.447 18.331 19.000 -0.371 0.000 0.779 103 A HN 0.752 nan 8.150 nan 0.000 0.475 104 S N -1.806 113.749 115.700 -0.242 0.000 2.843 104 S HA 0.149 4.620 4.470 0.001 0.000 0.249 104 S C 0.347 174.872 174.600 -0.126 0.000 1.047 104 S CA 0.011 58.104 58.200 -0.178 0.000 1.042 104 S CB 0.071 63.158 63.200 -0.188 0.000 0.936 104 S HN 0.427 nan 8.310 nan 0.000 0.531 105 D N 2.138 122.475 120.400 -0.104 0.000 2.332 105 D HA 0.032 4.673 4.640 0.001 0.000 0.244 105 D C 0.782 177.058 176.300 -0.040 0.000 1.136 105 D CA 0.034 54.004 54.000 -0.049 0.000 0.884 105 D CB -0.103 40.685 40.800 -0.020 0.000 0.906 105 D HN 0.170 nan 8.370 nan 0.000 0.520 106 R N -0.357 120.112 120.500 -0.052 0.000 4.183 106 R HA -0.297 4.043 4.340 0.001 0.000 0.408 106 R C 1.480 177.768 176.300 -0.021 0.000 0.870 106 R CA 2.101 58.177 56.100 -0.039 0.000 1.788 106 R CB -1.286 28.995 30.300 -0.031 0.000 2.415 106 R HN 0.370 nan 8.270 nan 0.000 0.490 107 E N 0.573 120.766 120.200 -0.012 0.000 2.067 107 E HA 0.007 4.358 4.350 0.001 0.000 0.194 107 E C 1.528 178.150 176.600 0.036 0.000 0.950 107 E CA 1.536 57.940 56.400 0.007 0.000 0.872 107 E CB -0.069 29.631 29.700 -0.000 0.000 0.877 107 E HN 0.377 nan 8.360 nan 0.000 0.470 108 E N -0.243 119.984 120.200 0.045 0.000 2.060 108 E HA 0.150 4.501 4.350 0.001 0.000 0.189 108 E C 1.752 178.458 176.600 0.177 0.000 0.974 108 E CA 0.996 57.464 56.400 0.113 0.000 0.808 108 E CB -0.436 29.313 29.700 0.082 0.000 0.768 108 E HN 0.334 nan 8.360 nan 0.000 0.453 109 G N 0.530 109.371 108.800 0.069 0.000 2.916 109 G HA2 -0.157 3.803 3.960 0.001 0.000 0.205 109 G HA3 -0.157 3.803 3.960 0.001 0.000 0.205 109 G C 0.883 175.706 174.900 -0.129 0.000 1.163 109 G CA 0.823 45.904 45.100 -0.031 0.000 0.821 109 G HN 0.177 nan 8.290 nan 0.000 0.515 110 T N 0.309 114.843 114.554 -0.032 0.000 3.007 110 T HA -0.115 4.235 4.350 0.001 0.000 0.270 110 T C 1.887 176.505 174.700 -0.138 0.000 1.107 110 T CA 0.807 62.858 62.100 -0.081 0.000 1.118 110 T CB -0.211 68.642 68.868 -0.026 0.000 0.889 110 T HN 0.815 nan 8.240 nan 0.000 0.506 111 W N 1.787 122.891 121.300 -0.326 0.000 2.678 111 W HA 0.260 4.921 4.660 0.001 0.000 0.256 111 W C -0.051 176.183 176.519 -0.475 0.000 1.280 111 W CA -0.300 56.710 57.345 -0.558 0.000 1.345 111 W CB -0.629 28.236 29.460 -0.990 0.000 1.118 111 W HN 0.134 nan 8.180 nan 0.000 0.629 112 I N 4.500 124.420 120.570 -1.082 0.000 2.372 112 I HA 0.008 4.178 4.170 0.001 0.000 0.298 112 I C 0.930 176.716 176.117 -0.551 0.000 1.137 112 I CA 0.371 61.034 61.300 -1.062 0.000 1.314 112 I CB -0.048 37.429 38.000 -0.872 0.000 1.444 112 I HN -0.167 nan 8.210 nan 0.000 0.541 113 T N 1.573 115.866 114.554 -0.436 0.000 2.923 113 T HA 0.327 4.677 4.350 0.001 0.000 0.281 113 T C 1.098 175.696 174.700 -0.171 0.000 0.995 113 T CA -0.805 61.155 62.100 -0.233 0.000 0.985 113 T CB 1.833 70.622 68.868 -0.132 0.000 1.114 113 T HN 0.517 nan 8.240 nan 0.000 0.548 114 R N 0.497 120.932 120.500 -0.108 0.000 2.119 114 R HA -0.075 4.266 4.340 0.001 0.000 0.246 114 R C 2.437 178.712 176.300 -0.041 0.000 1.146 114 R CA 2.413 58.468 56.100 -0.075 0.000 0.962 114 R CB -1.342 28.927 30.300 -0.051 0.000 0.863 114 R HN 0.868 nan 8.270 nan 0.000 0.442 115 G N -0.389 108.403 108.800 -0.013 0.000 2.511 115 G HA2 -0.266 3.694 3.960 0.001 0.000 0.216 115 G HA3 -0.266 3.694 3.960 0.001 0.000 0.216 115 G C 1.455 176.389 174.900 0.055 0.000 1.218 115 G CA 1.154 46.278 45.100 0.040 0.000 0.788 115 G HN 0.249 nan 8.290 nan 0.000 0.560 116 V N 0.538 120.459 119.914 0.011 0.000 2.324 116 V HA -0.226 3.894 4.120 0.001 0.000 0.250 116 V C 3.080 179.242 176.094 0.114 0.000 1.060 116 V CA 1.721 64.041 62.300 0.033 0.000 1.042 116 V CB -0.642 30.977 31.823 -0.340 0.000 0.650 116 V HN 0.248 nan 8.190 nan 0.000 0.450 117 V N -0.097 119.803 119.914 -0.024 0.000 2.255 117 V HA -0.315 3.805 4.120 0.001 0.000 0.247 117 V C 2.425 178.611 176.094 0.154 0.000 1.051 117 V CA 2.387 64.698 62.300 0.020 0.000 1.018 117 V CB -0.734 31.047 31.823 -0.071 0.000 0.641 117 V HN 0.637 nan 8.190 nan 0.000 0.445 118 E N 0.230 120.484 120.200 0.090 0.000 2.118 118 E HA -0.220 4.131 4.350 0.001 0.000 0.195 118 E C 2.314 178.996 176.600 0.137 0.000 0.992 118 E CA 1.311 57.766 56.400 0.091 0.000 0.804 118 E CB -0.379 29.341 29.700 0.032 0.000 0.741 118 E HN 0.618 nan 8.360 nan 0.000 0.458 119 A N 0.800 123.701 122.820 0.134 0.000 1.865 119 A HA -0.205 4.116 4.320 0.001 0.000 0.217 119 A C 1.879 179.472 177.584 0.015 0.000 1.191 119 A CA 1.450 53.532 52.037 0.075 0.000 0.623 119 A CB -0.881 18.167 19.000 0.080 0.000 0.826 119 A HN 0.277 nan 8.150 nan 0.000 0.444 120 Y N -1.480 118.925 120.300 0.174 0.000 2.373 120 Y HA -0.128 4.423 4.550 0.001 0.000 0.293 120 Y C 2.489 178.461 175.900 0.120 0.000 1.129 120 Y CA 1.389 59.612 58.100 0.205 0.000 1.226 120 Y CB -0.298 38.361 38.460 0.332 0.000 1.000 120 Y HN 0.504 nan 8.280 nan 0.000 0.549 121 H N 0.577 119.768 119.070 0.202 0.000 2.457 121 H HA -0.043 4.513 4.556 0.001 0.000 0.294 121 H C 1.942 177.249 175.328 -0.034 0.000 1.064 121 H CA 1.250 57.344 56.048 0.078 0.000 1.330 121 H CB 0.305 30.147 29.762 0.132 0.000 1.395 121 H HN 0.317 nan 8.280 nan 0.000 0.541 122 R N -0.133 120.443 120.500 0.125 0.000 2.066 122 R HA -0.049 4.291 4.340 0.001 0.000 0.232 122 R C 2.658 178.936 176.300 -0.038 0.000 1.131 122 R CA 0.953 57.080 56.100 0.045 0.000 0.955 122 R CB -0.117 30.199 30.300 0.026 0.000 0.851 122 R HN 0.268 nan 8.270 nan 0.000 0.432 123 L N -0.292 120.888 121.223 -0.071 0.000 2.191 123 L HA -0.205 4.135 4.340 0.001 0.000 0.212 123 L C 2.504 179.268 176.870 -0.176 0.000 1.103 123 L CA 1.305 56.090 54.840 -0.092 0.000 0.769 123 L CB -0.559 41.432 42.059 -0.113 0.000 0.908 123 L HN 0.308 nan 8.230 nan 0.000 0.438 124 H N 0.229 119.015 119.070 -0.473 0.000 2.343 124 H HA -0.156 4.401 4.556 0.001 0.000 0.303 124 H C 2.173 177.261 175.328 -0.400 0.000 1.068 124 H CA 1.770 57.378 56.048 -0.734 0.000 1.359 124 H CB 0.114 28.931 29.762 -1.576 0.000 1.402 124 H HN 0.268 nan 8.280 nan 0.000 0.515 125 E N 0.096 120.025 120.200 -0.452 0.000 2.118 125 E HA -0.138 4.213 4.350 0.001 0.000 0.195 125 E C 1.662 178.137 176.600 -0.209 0.000 0.992 125 E CA 1.275 57.493 56.400 -0.304 0.000 0.804 125 E CB -0.077 29.590 29.700 -0.055 0.000 0.741 125 E HN 0.562 nan 8.360 nan 0.000 0.458 126 L N -0.681 120.468 121.223 -0.124 0.000 2.591 126 L HA 0.186 4.526 4.340 0.001 0.000 0.228 126 L C 1.275 178.124 176.870 -0.035 0.000 1.133 126 L CA 0.362 55.199 54.840 -0.004 0.000 0.880 126 L CB 0.249 42.374 42.059 0.110 0.000 1.033 126 L HN 0.380 nan 8.230 nan 0.000 0.450 127 G N -0.158 108.525 108.800 -0.194 0.000 2.149 127 G HA2 -0.295 3.666 3.960 0.001 0.000 0.235 127 G HA3 -0.295 3.666 3.960 0.001 0.000 0.235 127 G C 0.260 174.901 174.900 -0.433 0.000 1.018 127 G CA 0.468 45.410 45.100 -0.262 0.000 0.728 127 G HN 0.523 nan 8.290 nan 0.000 0.508 128 H N -0.590 118.278 119.070 -0.337 0.000 2.855 128 H HA 0.605 5.161 4.556 0.001 0.000 0.259 128 H C 1.588 176.563 175.328 -0.588 0.000 0.972 128 H CA 0.843 56.711 56.048 -0.300 0.000 1.213 128 H CB 0.749 30.419 29.762 -0.154 0.000 1.451 128 H HN 0.728 nan 8.280 nan 0.000 0.484 129 A N 1.350 123.831 122.820 -0.565 0.000 2.305 129 A HA 0.542 4.863 4.320 0.001 0.000 0.322 129 A C -0.737 176.434 177.584 -0.689 0.000 1.187 129 A CA -0.480 51.303 52.037 -0.422 0.000 0.825 129 A CB 0.738 19.661 19.000 -0.128 0.000 1.164 129 A HN 0.342 nan 8.150 nan 0.000 0.498 130 H N 0.291 119.492 119.070 0.220 0.000 2.949 130 H HA 0.751 5.307 4.556 0.001 0.000 0.356 130 H C -0.610 174.993 175.328 0.458 0.000 1.212 130 H CA -0.223 55.988 56.048 0.272 0.000 1.136 130 H CB 2.094 31.820 29.762 -0.059 0.000 1.869 130 H HN 0.837 nan 8.280 nan 0.000 0.556 131 S N 0.557 116.544 115.700 0.478 0.000 2.564 131 S HA 0.577 5.048 4.470 0.001 0.000 0.274 131 S C -1.186 173.520 174.600 0.176 0.000 1.124 131 S CA -0.791 57.556 58.200 0.246 0.000 0.869 131 S CB 1.606 64.819 63.200 0.022 0.000 1.105 131 S HN 0.314 nan 8.310 nan 0.000 0.472 132 I N 2.115 122.719 120.570 0.057 0.000 2.382 132 I HA 0.446 4.617 4.170 0.001 0.000 0.285 132 I C -0.491 175.583 176.117 -0.070 0.000 1.007 132 I CA -0.241 61.070 61.300 0.019 0.000 1.142 132 I CB 1.295 39.280 38.000 -0.025 0.000 1.289 132 I HN 0.674 nan 8.210 nan 0.000 0.453 133 E N 4.526 124.674 120.200 -0.087 0.000 2.266 133 E HA 0.573 4.923 4.350 0.001 0.000 0.277 133 E C -0.863 175.482 176.600 -0.425 0.000 1.018 133 E CA -0.459 55.740 56.400 -0.335 0.000 0.840 133 E CB 1.561 31.010 29.700 -0.418 0.000 1.082 133 E HN 0.231 nan 8.360 nan 0.000 0.395 134 V N 3.353 122.897 119.914 -0.617 0.000 2.409 134 V HA 0.407 4.528 4.120 0.001 0.000 0.291 134 V C -1.133 174.630 176.094 -0.552 0.000 1.020 134 V CA -0.842 61.190 62.300 -0.447 0.000 0.848 134 V CB 0.398 31.940 31.823 -0.469 0.000 0.990 134 V HN 0.604 nan 8.190 nan 0.000 0.430 135 W N 3.810 125.108 121.300 -0.003 0.000 2.606 135 W HA 0.783 5.443 4.660 0.001 0.000 0.332 135 W C 0.077 176.706 176.519 0.183 0.000 1.052 135 W CA -0.889 56.488 57.345 0.054 0.000 1.223 135 W CB 1.260 30.754 29.460 0.058 0.000 1.383 135 W HN 0.346 nan 8.180 nan 0.000 0.524 136 R N 2.730 123.478 120.500 0.415 0.000 2.310 136 R HA 0.296 4.636 4.340 0.001 0.000 0.316 136 R C 0.361 176.834 176.300 0.288 0.000 1.004 136 R CA -0.456 55.890 56.100 0.411 0.000 0.900 136 R CB -0.379 30.158 30.300 0.396 0.000 1.152 136 R HN 0.797 nan 8.270 nan 0.000 0.513 137 E N 1.452 121.790 120.200 0.230 0.000 3.132 137 E HA -0.340 4.010 4.350 0.001 0.000 0.362 137 E C -0.184 176.509 176.600 0.155 0.000 1.473 137 E CA 1.802 58.288 56.400 0.143 0.000 1.471 137 E CB -0.856 28.911 29.700 0.112 0.000 1.727 137 E HN 0.817 nan 8.360 nan 0.000 0.509 138 D N 1.547 122.027 120.400 0.132 0.000 2.350 138 D HA 0.004 4.645 4.640 0.001 0.000 0.213 138 D C 0.149 176.598 176.300 0.248 0.000 1.031 138 D CA 0.576 54.647 54.000 0.118 0.000 0.861 138 D CB 0.181 41.022 40.800 0.068 0.000 0.926 138 D HN 0.218 nan 8.370 nan 0.000 0.520 139 E N 0.443 120.822 120.200 0.298 0.000 2.214 139 E HA 0.280 4.631 4.350 0.001 0.000 0.274 139 E C -0.780 176.044 176.600 0.373 0.000 0.977 139 E CA -1.099 55.493 56.400 0.320 0.000 0.827 139 E CB 2.509 32.322 29.700 0.188 0.000 1.130 139 E HN 0.059 nan 8.360 nan 0.000 0.394 140 L N 3.890 125.259 121.223 0.244 0.000 2.315 140 L HA 0.047 4.387 4.340 0.001 0.000 0.283 140 L C 0.361 177.181 176.870 -0.082 0.000 1.089 140 L CA 0.231 54.990 54.840 -0.135 0.000 0.833 140 L CB 0.690 42.616 42.059 -0.222 0.000 1.170 140 L HN 0.394 nan 8.230 nan 0.000 0.442 141 V N 2.456 122.234 119.914 -0.226 0.000 3.276 141 V HA 0.873 4.994 4.120 0.001 0.000 0.319 141 V C 0.498 176.257 176.094 -0.558 0.000 1.427 141 V CA 0.414 62.563 62.300 -0.252 0.000 1.102 141 V CB -0.526 31.182 31.823 -0.191 0.000 1.020 141 V HN 0.956 nan 8.190 nan 0.000 0.456 142 G N -1.709 106.595 108.800 -0.826 0.000 2.320 142 G HA2 0.638 4.599 3.960 0.001 0.000 0.297 142 G HA3 0.638 4.599 3.960 0.001 0.000 0.297 142 G C -0.441 173.814 174.900 -1.075 0.000 1.344 142 G CA 0.282 44.508 45.100 -1.457 0.000 0.851 142 G HN 1.538 nan 8.290 nan 0.000 0.567 143 G N -1.398 106.871 108.800 -0.886 0.000 2.333 143 G HA2 0.752 4.712 3.960 0.001 0.000 0.288 143 G HA3 0.752 4.712 3.960 0.001 0.000 0.288 143 G C -0.919 173.901 174.900 -0.133 0.000 1.286 143 G CA 0.605 45.507 45.100 -0.331 0.000 0.865 143 G HN 2.255 nan 8.290 nan 0.000 0.506 144 M N -1.309 118.270 119.600 -0.035 0.000 2.523 144 M HA 0.740 5.220 4.480 0.001 0.000 0.287 144 M C -1.431 174.912 176.300 0.073 0.000 1.160 144 M CA -1.072 54.234 55.300 0.010 0.000 0.902 144 M CB 1.995 34.535 32.600 -0.101 0.000 1.752 144 M HN 1.593 nan 8.290 nan 0.000 0.504 145 Y N -0.288 119.944 120.300 -0.113 0.000 2.638 145 Y HA 1.066 5.617 4.550 0.001 0.000 0.339 145 Y C -0.481 175.450 175.900 0.052 0.000 1.084 145 Y CA -0.359 57.712 58.100 -0.048 0.000 1.068 145 Y CB 1.551 39.808 38.460 -0.339 0.000 1.294 145 Y HN 1.208 nan 8.280 nan 0.000 0.480 146 G N -0.225 108.611 108.800 0.060 0.000 2.428 146 G HA2 0.479 4.439 3.960 0.001 0.000 0.304 146 G HA3 0.479 4.439 3.960 0.001 0.000 0.304 146 G C -2.450 172.290 174.900 -0.266 0.000 1.303 146 G CA -0.652 44.212 45.100 -0.394 0.000 0.825 146 G HN 0.748 nan 8.290 nan 0.000 0.484 147 V N 0.845 120.400 119.914 -0.598 0.000 2.417 147 V HA 0.683 4.803 4.120 0.001 0.000 0.291 147 V C 0.679 176.597 176.094 -0.294 0.000 1.024 147 V CA -0.292 61.755 62.300 -0.422 0.000 0.861 147 V CB 1.136 32.496 31.823 -0.772 0.000 0.985 147 V HN 1.359 nan 8.190 nan 0.000 0.436 148 A N 3.954 126.788 122.820 0.024 0.000 2.362 148 A HA 0.586 4.907 4.320 0.001 0.000 0.276 148 A C 0.070 177.790 177.584 0.227 0.000 1.153 148 A CA -0.145 52.050 52.037 0.263 0.000 0.813 148 A CB 0.441 19.547 19.000 0.177 0.000 1.081 148 A HN 0.767 nan 8.150 nan 0.000 0.507 149 Q N 2.016 121.987 119.800 0.286 0.000 2.831 149 Q HA 0.468 4.809 4.340 0.001 0.000 0.366 149 Q C 0.659 176.826 176.000 0.278 0.000 0.899 149 Q CA 0.850 56.803 55.803 0.250 0.000 0.987 149 Q CB 0.164 29.033 28.738 0.219 0.000 1.382 149 Q HN 1.772 nan 8.270 nan 0.000 0.403 150 G N 0.080 109.063 108.800 0.305 0.000 2.552 150 G HA2 -0.376 3.585 3.960 0.001 0.000 0.267 150 G HA3 -0.376 3.585 3.960 0.001 0.000 0.267 150 G C 0.661 175.751 174.900 0.317 0.000 1.174 150 G CA 0.348 45.610 45.100 0.269 0.000 0.955 150 G HN 0.713 nan 8.290 nan 0.000 0.546 151 T N -0.711 113.987 114.554 0.241 0.000 3.086 151 T HA 0.573 4.923 4.350 0.001 0.000 0.250 151 T C 0.657 175.582 174.700 0.375 0.000 1.074 151 T CA 1.214 63.432 62.100 0.197 0.000 0.988 151 T CB 0.414 69.308 68.868 0.043 0.000 0.988 151 T HN 1.192 nan 8.240 nan 0.000 0.530 152 L N 0.983 122.454 121.223 0.414 0.000 2.344 152 L HA 0.805 5.146 4.340 0.001 0.000 0.272 152 L C -1.359 175.851 176.870 0.568 0.000 1.035 152 L CA -1.855 53.256 54.840 0.452 0.000 0.807 152 L CB 1.467 43.691 42.059 0.275 0.000 1.237 152 L HN 0.217 nan 8.230 nan 0.000 0.442 153 F N 3.841 123.983 119.950 0.320 0.000 2.539 153 F HA 0.485 5.013 4.527 0.001 0.000 0.318 153 F C -0.897 174.954 175.800 0.085 0.000 1.135 153 F CA -0.878 57.229 58.000 0.178 0.000 0.915 153 F CB 1.215 40.224 39.000 0.015 0.000 1.176 153 F HN 0.488 nan 8.300 nan 0.000 0.440 154 C N 4.953 123.825 119.300 -0.712 0.000 2.225 154 C HA 0.638 5.099 4.460 0.001 0.000 0.328 154 C C 0.984 175.444 174.990 -0.884 0.000 1.187 154 C CA -0.847 57.862 59.018 -0.514 0.000 1.665 154 C CB -0.376 27.274 27.740 -0.150 0.000 2.253 154 C HN 1.034 nan 8.230 nan 0.000 0.497 155 G N 2.604 111.059 108.800 -0.576 0.000 2.378 155 G HA2 0.290 4.251 3.960 0.001 0.000 0.255 155 G HA3 0.290 4.251 3.960 0.001 0.000 0.255 155 G C 0.591 175.220 174.900 -0.452 0.000 1.270 155 G CA 0.033 44.861 45.100 -0.453 0.000 0.876 155 G HN 0.783 nan 8.290 nan 0.000 0.521 156 E N 0.320 120.165 120.200 -0.593 0.000 2.175 156 E HA 0.123 4.474 4.350 0.001 0.000 0.195 156 E C 0.815 177.118 176.600 -0.495 0.000 0.934 156 E CA 0.607 56.626 56.400 -0.634 0.000 0.870 156 E CB 0.846 29.893 29.700 -1.087 0.000 0.838 156 E HN 0.438 nan 8.360 nan 0.000 0.474 157 S N -0.902 114.475 115.700 -0.540 0.000 2.597 157 S HA 0.527 4.998 4.470 0.001 0.000 0.274 157 S C -1.545 173.017 174.600 -0.063 0.000 1.132 157 S CA -0.639 57.448 58.200 -0.188 0.000 0.835 157 S CB 0.683 63.890 63.200 0.012 0.000 1.092 157 S HN -0.001 nan 8.310 nan 0.000 0.457 158 M N 2.762 122.353 119.600 -0.015 0.000 2.690 158 M HA 0.765 5.245 4.480 0.001 0.000 0.302 158 M C -1.285 175.064 176.300 0.082 0.000 1.234 158 M CA -0.750 54.548 55.300 -0.003 0.000 0.853 158 M CB 2.132 34.674 32.600 -0.096 0.000 1.748 158 M HN 0.707 nan 8.290 nan 0.000 0.469 159 F N -0.811 119.043 119.950 -0.159 0.000 2.650 159 F HA 0.764 5.292 4.527 0.001 0.000 0.310 159 F C -1.545 174.145 175.800 -0.183 0.000 1.112 159 F CA -0.622 57.277 58.000 -0.167 0.000 0.986 159 F CB 1.459 40.363 39.000 -0.160 0.000 1.285 159 F HN 0.522 nan 8.300 nan 0.000 0.440 160 S N 2.589 118.093 115.700 -0.327 0.000 2.547 160 S HA 0.642 5.113 4.470 0.001 0.000 0.281 160 S C -0.190 174.287 174.600 -0.206 0.000 1.118 160 S CA -0.700 57.242 58.200 -0.430 0.000 0.947 160 S CB 1.603 64.618 63.200 -0.308 0.000 1.053 160 S HN 0.803 nan 8.310 nan 0.000 0.482 161 R N 2.525 122.892 120.500 -0.221 0.000 2.419 161 R HA 0.407 4.747 4.340 0.001 0.000 0.235 161 R C -0.300 175.965 176.300 -0.058 0.000 0.899 161 R CA 0.312 56.370 56.100 -0.070 0.000 1.048 161 R CB 0.215 30.515 30.300 -0.000 0.000 1.182 161 R HN 0.593 nan 8.270 nan 0.000 0.544 162 M N 0.581 120.120 119.600 -0.102 0.000 2.501 162 M HA 0.222 4.703 4.480 0.001 0.000 0.293 162 M C -0.850 175.449 176.300 -0.002 0.000 1.192 162 M CA -0.942 54.360 55.300 0.003 0.000 0.886 162 M CB 3.212 35.882 32.600 0.116 0.000 1.710 162 M HN -0.246 nan 8.290 nan 0.000 0.457 163 E N 2.405 122.634 120.200 0.049 0.000 2.765 163 E HA -0.118 4.233 4.350 0.001 0.000 0.256 163 E C 0.010 176.569 176.600 -0.068 0.000 0.935 163 E CA 1.431 57.817 56.400 -0.023 0.000 0.954 163 E CB 0.007 29.693 29.700 -0.023 0.000 0.908 163 E HN 0.617 nan 8.360 nan 0.000 0.500 164 N N 1.554 120.149 118.700 -0.175 0.000 2.815 164 N HA -0.321 4.420 4.740 0.001 0.000 0.247 164 N C 0.645 176.086 175.510 -0.115 0.000 1.030 164 N CA 1.082 54.003 53.050 -0.216 0.000 0.881 164 N CB -1.500 36.625 38.487 -0.603 0.000 1.134 164 N HN 0.480 nan 8.380 nan 0.000 0.582 165 A N 0.323 123.001 122.820 -0.238 0.000 1.845 165 A HA -0.143 4.178 4.320 0.001 0.000 0.215 165 A C 2.311 179.673 177.584 -0.369 0.000 1.195 165 A CA 2.525 54.249 52.037 -0.521 0.000 0.616 165 A CB -0.909 17.688 19.000 -0.671 0.000 0.832 165 A HN 0.464 nan 8.150 nan 0.000 0.443 166 S N -0.135 115.370 115.700 -0.325 0.000 2.359 166 S HA -0.271 4.200 4.470 0.001 0.000 0.223 166 S C 2.038 176.553 174.600 -0.141 0.000 1.039 166 S CA 2.089 60.138 58.200 -0.252 0.000 1.042 166 S CB -0.435 62.638 63.200 -0.212 0.000 0.915 166 S HN 0.582 nan 8.310 nan 0.000 0.439 167 K N -0.127 120.217 120.400 -0.092 0.000 2.103 167 K HA -0.072 4.249 4.320 0.001 0.000 0.207 167 K C 2.307 178.837 176.600 -0.116 0.000 1.048 167 K CA 1.735 57.976 56.287 -0.077 0.000 0.930 167 K CB -0.588 31.863 32.500 -0.082 0.000 0.716 167 K HN 0.447 nan 8.250 nan 0.000 0.444 168 T N 1.225 115.710 114.554 -0.115 0.000 2.708 168 T HA -0.151 4.199 4.350 0.001 0.000 0.266 168 T C 2.043 176.653 174.700 -0.151 0.000 1.037 168 T CA 1.367 63.386 62.100 -0.134 0.000 1.146 168 T CB -0.302 68.592 68.868 0.043 0.000 0.865 168 T HN 0.336 nan 8.240 nan 0.000 0.435 169 A N 1.482 124.219 122.820 -0.139 0.000 1.873 169 A HA -0.112 4.209 4.320 0.001 0.000 0.218 169 A C 2.262 179.821 177.584 -0.042 0.000 1.193 169 A CA 1.633 53.603 52.037 -0.110 0.000 0.629 169 A CB -0.995 17.903 19.000 -0.170 0.000 0.826 169 A HN 0.384 nan 8.150 nan 0.000 0.447 170 L N -0.571 120.622 121.223 -0.050 0.000 2.027 170 L HA -0.080 4.260 4.340 0.001 0.000 0.206 170 L C 2.345 179.243 176.870 0.048 0.000 1.074 170 L CA 1.835 56.686 54.840 0.020 0.000 0.745 170 L CB -0.654 41.404 42.059 -0.001 0.000 0.898 170 L HN 0.505 nan 8.230 nan 0.000 0.433 171 L N -1.460 119.727 121.223 -0.059 0.000 1.944 171 L HA -0.292 4.049 4.340 0.001 0.000 0.218 171 L C 2.418 179.233 176.870 -0.092 0.000 1.075 171 L CA 2.057 56.825 54.840 -0.121 0.000 0.767 171 L CB -0.400 41.480 42.059 -0.299 0.000 0.890 171 L HN 0.110 nan 8.230 nan 0.000 0.434 172 V N -0.223 119.607 119.914 -0.140 0.000 2.282 172 V HA -0.371 3.750 4.120 0.001 0.000 0.249 172 V C 2.191 178.307 176.094 0.037 0.000 1.057 172 V CA 2.355 64.617 62.300 -0.063 0.000 1.032 172 V CB -0.849 30.941 31.823 -0.055 0.000 0.645 172 V HN 0.518 nan 8.190 nan 0.000 0.447 173 F N 0.675 120.587 119.950 -0.064 0.000 2.025 173 F HA -0.277 4.250 4.527 0.001 0.000 0.297 173 F C 2.577 178.405 175.800 0.047 0.000 1.132 173 F CA 1.960 59.931 58.000 -0.050 0.000 1.191 173 F CB -1.016 37.908 39.000 -0.126 0.000 0.963 173 F HN 0.162 nan 8.300 nan 0.000 0.481 174 C N 0.929 120.270 119.300 0.069 0.000 2.375 174 C HA -0.275 4.185 4.460 0.001 0.000 0.274 174 C C 2.718 177.713 174.990 0.009 0.000 1.190 174 C CA 1.670 60.725 59.018 0.061 0.000 1.775 174 C CB -1.420 26.402 27.740 0.137 0.000 2.067 174 C HN 0.589 nan 8.230 nan 0.000 0.463 175 E N 0.225 120.427 120.200 0.003 0.000 2.023 175 E HA -0.273 4.078 4.350 0.001 0.000 0.196 175 E C 2.065 178.676 176.600 0.019 0.000 1.003 175 E CA 1.685 58.094 56.400 0.016 0.000 0.809 175 E CB -0.300 29.418 29.700 0.030 0.000 0.755 175 E HN 0.613 nan 8.360 nan 0.000 0.449 176 E N 0.620 120.820 120.200 0.000 0.000 2.023 176 E HA -0.224 4.127 4.350 0.001 0.000 0.196 176 E C 1.756 178.389 176.600 0.054 0.000 1.003 176 E CA 1.159 57.582 56.400 0.039 0.000 0.809 176 E CB -0.427 29.238 29.700 -0.059 0.000 0.755 176 E HN 0.166 nan 8.360 nan 0.000 0.449 177 F N 1.011 120.739 119.950 -0.369 0.000 2.045 177 F HA -0.266 4.262 4.527 0.001 0.000 0.297 177 F C 2.073 177.703 175.800 -0.283 0.000 1.114 177 F CA 2.002 59.707 58.000 -0.490 0.000 1.207 177 F CB -0.713 37.761 39.000 -0.876 0.000 0.964 177 F HN 0.109 nan 8.300 nan 0.000 0.486 178 I N -0.116 120.344 120.570 -0.183 0.000 2.127 178 I HA -0.291 3.880 4.170 0.001 0.000 0.241 178 I C 2.793 178.819 176.117 -0.153 0.000 1.075 178 I CA 1.496 62.674 61.300 -0.202 0.000 1.334 178 I CB -1.570 36.394 38.000 -0.061 0.000 1.040 178 I HN 0.311 nan 8.210 nan 0.000 0.405 179 G N 0.315 109.100 108.800 -0.025 0.000 2.545 179 G HA2 -0.284 3.676 3.960 0.001 0.000 0.222 179 G HA3 -0.284 3.676 3.960 0.001 0.000 0.222 179 G C 0.941 175.784 174.900 -0.095 0.000 1.126 179 G CA 1.299 46.406 45.100 0.011 0.000 0.754 179 G HN 0.514 nan 8.290 nan 0.000 0.583 180 H N -1.075 117.827 119.070 -0.279 0.000 2.486 180 H HA 0.452 5.009 4.556 0.001 0.000 0.284 180 H C 1.522 176.598 175.328 -0.419 0.000 1.103 180 H CA -0.419 55.428 56.048 -0.335 0.000 1.089 180 H CB 0.305 29.822 29.762 -0.408 0.000 1.603 180 H HN 0.406 nan 8.280 nan 0.000 0.557 181 G N -0.244 108.373 108.800 -0.305 0.000 2.163 181 G HA2 -0.200 3.760 3.960 0.001 0.000 0.213 181 G HA3 -0.200 3.760 3.960 0.001 0.000 0.213 181 G C 0.795 175.391 174.900 -0.506 0.000 0.991 181 G CA -0.297 44.609 45.100 -0.323 0.000 0.653 181 G HN 0.746 nan 8.290 nan 0.000 0.518 182 G N -0.208 108.041 108.800 -0.919 0.000 2.353 182 G HA2 0.432 4.393 3.960 0.001 0.000 0.239 182 G HA3 0.432 4.393 3.960 0.001 0.000 0.239 182 G C 0.647 175.042 174.900 -0.841 0.000 1.295 182 G CA 0.841 44.841 45.100 -1.833 0.000 0.884 182 G HN 0.348 nan 8.290 nan 0.000 0.537 183 K N 0.634 120.808 120.400 -0.378 0.000 2.367 183 K HA 0.425 4.746 4.320 0.001 0.000 0.198 183 K C 0.554 177.271 176.600 0.195 0.000 1.132 183 K CA 0.192 56.483 56.287 0.007 0.000 0.941 183 K CB 0.248 32.780 32.500 0.053 0.000 1.052 183 K HN 0.423 nan 8.250 nan 0.000 0.507 184 L N 0.267 121.665 121.223 0.292 0.000 2.568 184 L HA 0.496 4.837 4.340 0.001 0.000 0.257 184 L C -1.604 175.454 176.870 0.313 0.000 1.024 184 L CA -0.924 53.976 54.840 0.099 0.000 0.854 184 L CB 2.087 44.009 42.059 -0.228 0.000 1.460 184 L HN -0.094 nan 8.230 nan 0.000 0.409 185 I N 1.633 122.271 120.570 0.113 0.000 2.439 185 I HA 0.203 4.373 4.170 0.001 0.000 0.285 185 I C -1.000 175.131 176.117 0.025 0.000 1.021 185 I CA -0.541 60.853 61.300 0.158 0.000 1.091 185 I CB 1.937 40.041 38.000 0.175 0.000 1.242 185 I HN 0.465 nan 8.210 nan 0.000 0.439 186 D N 4.709 125.129 120.400 0.034 0.000 2.390 186 D HA 0.135 4.775 4.640 0.001 0.000 0.249 186 D C 0.152 176.369 176.300 -0.138 0.000 1.144 186 D CA 0.098 54.076 54.000 -0.037 0.000 0.880 186 D CB 1.137 41.957 40.800 0.034 0.000 1.182 186 D HN 0.529 nan 8.370 nan 0.000 0.451 187 C N 3.063 122.254 119.300 -0.181 0.000 3.243 187 C HA 0.176 4.637 4.460 0.001 0.000 0.286 187 C C 1.436 176.266 174.990 -0.266 0.000 1.373 187 C CA -0.157 58.743 59.018 -0.196 0.000 1.749 187 C CB -1.617 26.038 27.740 -0.142 0.000 2.313 187 C HN 0.846 nan 8.230 nan 0.000 0.644 188 Q N -0.203 119.412 119.800 -0.308 0.000 1.920 188 Q HA -0.299 4.042 4.340 0.001 0.000 0.239 188 Q C 0.177 176.045 176.000 -0.221 0.000 2.739 188 Q CA 2.179 57.780 55.803 -0.337 0.000 0.504 188 Q CB -1.298 26.988 28.738 -0.752 0.000 0.891 188 Q HN 0.447 nan 8.270 nan 0.000 0.524 189 V N 0.982 120.737 119.914 -0.266 0.000 2.680 189 V HA 0.475 4.595 4.120 0.001 0.000 0.309 189 V C -0.218 175.770 176.094 -0.177 0.000 1.052 189 V CA -0.833 61.342 62.300 -0.208 0.000 0.908 189 V CB 1.825 33.486 31.823 -0.269 0.000 1.001 189 V HN 0.362 nan 8.190 nan 0.000 0.431 190 L N 4.609 125.755 121.223 -0.129 0.000 2.371 190 L HA 0.536 4.877 4.340 0.001 0.000 0.272 190 L C -0.280 176.535 176.870 -0.092 0.000 1.124 190 L CA 0.449 55.232 54.840 -0.096 0.000 0.816 190 L CB 1.173 43.191 42.059 -0.067 0.000 1.129 190 L HN 1.145 nan 8.230 nan 0.000 0.448 191 N N 1.102 119.761 118.700 -0.070 0.000 2.972 191 N HA 0.278 5.018 4.740 0.001 0.000 0.262 191 N C 0.066 175.560 175.510 -0.027 0.000 1.478 191 N CA -0.658 52.359 53.050 -0.054 0.000 0.841 191 N CB 0.518 38.970 38.487 -0.057 0.000 1.512 191 N HN 0.381 nan 8.380 nan 0.000 0.548 192 D N -1.017 119.375 120.400 -0.013 0.000 2.092 192 D HA -0.238 4.403 4.640 0.001 0.000 0.193 192 D C 1.211 177.516 176.300 0.010 0.000 0.994 192 D CA 1.598 55.595 54.000 -0.005 0.000 0.828 192 D CB -0.483 40.319 40.800 0.003 0.000 0.963 192 D HN 0.631 nan 8.370 nan 0.000 0.450 193 H N 0.401 119.441 119.070 -0.050 0.000 2.267 193 H HA -0.121 4.436 4.556 0.001 0.000 0.297 193 H C 2.082 177.383 175.328 -0.045 0.000 1.080 193 H CA 2.045 58.064 56.048 -0.048 0.000 1.278 193 H CB -0.148 29.581 29.762 -0.055 0.000 1.365 193 H HN 0.040 nan 8.280 nan 0.000 0.489 194 T N 0.093 114.661 114.554 0.022 0.000 2.720 194 T HA -0.140 4.210 4.350 0.001 0.000 0.268 194 T C 2.080 176.736 174.700 -0.074 0.000 1.037 194 T CA 1.686 63.765 62.100 -0.035 0.000 1.144 194 T CB -0.561 68.298 68.868 -0.015 0.000 0.864 194 T HN 0.519 nan 8.240 nan 0.000 0.444 195 A N 0.835 123.618 122.820 -0.061 0.000 1.969 195 A HA -0.009 4.312 4.320 0.001 0.000 0.218 195 A C 2.591 180.129 177.584 -0.076 0.000 1.169 195 A CA 2.117 54.121 52.037 -0.055 0.000 0.635 195 A CB -0.874 18.099 19.000 -0.045 0.000 0.810 195 A HN 0.703 nan 8.150 nan 0.000 0.445 196 S N -0.351 115.284 115.700 -0.109 0.000 2.447 196 S HA 0.025 4.495 4.470 0.001 0.000 0.233 196 S C 1.557 176.094 174.600 -0.104 0.000 1.006 196 S CA 1.118 59.243 58.200 -0.125 0.000 0.957 196 S CB -0.486 62.632 63.200 -0.137 0.000 0.773 196 S HN 0.443 nan 8.310 nan 0.000 0.507 197 L N 0.709 121.859 121.223 -0.122 0.000 2.591 197 L HA 0.315 4.655 4.340 0.001 0.000 0.228 197 L C 1.748 178.636 176.870 0.030 0.000 1.133 197 L CA 0.448 55.251 54.840 -0.061 0.000 0.880 197 L CB -0.309 41.668 42.059 -0.136 0.000 1.033 197 L HN 0.637 nan 8.230 nan 0.000 0.450 198 G N -0.140 108.669 108.800 0.015 0.000 2.138 198 G HA2 -0.180 3.780 3.960 0.001 0.000 0.193 198 G HA3 -0.180 3.780 3.960 0.001 0.000 0.193 198 G C 0.265 175.200 174.900 0.059 0.000 0.998 198 G CA -0.134 45.000 45.100 0.057 0.000 0.668 198 G HN 0.416 nan 8.290 nan 0.000 0.516 199 A N -0.661 122.170 122.820 0.019 0.000 2.371 199 A HA 0.812 5.133 4.320 0.001 0.000 0.257 199 A C 1.127 178.725 177.584 0.023 0.000 1.089 199 A CA 0.580 52.623 52.037 0.011 0.000 0.794 199 A CB 0.430 19.414 19.000 -0.027 0.000 1.029 199 A HN 1.970 nan 8.150 nan 0.000 0.488 200 C N 0.060 119.383 119.300 0.039 0.000 3.327 200 C HA 0.926 5.386 4.460 0.001 0.000 0.366 200 C C -0.553 174.463 174.990 0.043 0.000 2.438 200 C CA -0.793 58.261 59.018 0.062 0.000 1.438 200 C CB 0.640 28.462 27.740 0.135 0.000 2.876 200 C HN 0.829 nan 8.230 nan 0.000 0.483 201 E N 1.244 121.487 120.200 0.071 0.000 2.260 201 E HA 0.590 4.941 4.350 0.001 0.000 0.266 201 E C -0.920 175.748 176.600 0.113 0.000 0.887 201 E CA -0.351 56.086 56.400 0.062 0.000 0.777 201 E CB 1.980 31.699 29.700 0.031 0.000 1.205 201 E HN 0.718 nan 8.360 nan 0.000 0.414 202 I N -0.963 119.693 120.570 0.144 0.000 2.910 202 I HA 0.660 4.831 4.170 0.001 0.000 0.310 202 I C -2.862 173.340 176.117 0.143 0.000 1.043 202 I CA -2.960 58.455 61.300 0.192 0.000 1.053 202 I CB 0.840 39.041 38.000 0.335 0.000 1.242 202 I HN 0.180 nan 8.210 nan 0.000 0.452 203 P HA 0.224 nan 4.420 nan 0.000 0.269 203 P C 0.736 178.104 177.300 0.113 0.000 1.209 203 P CA -0.140 63.013 63.100 0.088 0.000 0.776 203 P CB 0.575 32.311 31.700 0.060 0.000 0.876 204 R N 3.975 124.533 120.500 0.098 0.000 2.119 204 R HA -0.249 4.092 4.340 0.001 0.000 0.246 204 R C 1.971 178.353 176.300 0.136 0.000 1.146 204 R CA 2.164 58.345 56.100 0.134 0.000 0.962 204 R CB -0.218 30.133 30.300 0.085 0.000 0.863 204 R HN 0.480 nan 8.270 nan 0.000 0.442 205 R N -0.453 120.086 120.500 0.065 0.000 2.115 205 R HA -0.066 4.274 4.340 0.001 0.000 0.230 205 R C 1.212 177.492 176.300 -0.033 0.000 1.111 205 R CA 1.624 57.735 56.100 0.019 0.000 0.976 205 R CB -0.270 30.032 30.300 0.003 0.000 0.870 205 R HN 0.169 nan 8.270 nan 0.000 0.445 206 D N 0.486 120.867 120.400 -0.031 0.000 2.123 206 D HA -0.164 4.476 4.640 0.001 0.000 0.200 206 D C 1.657 177.784 176.300 -0.288 0.000 0.976 206 D CA 1.119 55.006 54.000 -0.188 0.000 0.831 206 D CB -0.435 40.318 40.800 -0.079 0.000 0.974 206 D HN 0.277 nan 8.370 nan 0.000 0.469 207 Y N 1.539 121.811 120.300 -0.047 0.000 2.181 207 Y HA -0.142 4.409 4.550 0.001 0.000 0.288 207 Y C 2.043 177.995 175.900 0.086 0.000 1.146 207 Y CA 1.263 59.439 58.100 0.126 0.000 1.164 207 Y CB -0.471 38.066 38.460 0.129 0.000 0.982 207 Y HN -0.093 nan 8.280 nan 0.000 0.515 208 L N 0.300 121.443 121.223 -0.132 0.000 2.079 208 L HA -0.275 4.065 4.340 0.001 0.000 0.210 208 L C 2.376 179.137 176.870 -0.180 0.000 1.081 208 L CA 1.397 56.129 54.840 -0.180 0.000 0.752 208 L CB -0.735 41.311 42.059 -0.021 0.000 0.896 208 L HN 0.309 nan 8.230 nan 0.000 0.433 209 N N -0.244 118.348 118.700 -0.180 0.000 2.039 209 N HA -0.223 4.518 4.740 0.001 0.000 0.193 209 N C 1.927 177.402 175.510 -0.060 0.000 1.044 209 N CA 1.680 54.643 53.050 -0.145 0.000 0.847 209 N CB -0.544 37.808 38.487 -0.226 0.000 1.030 209 N HN 0.387 nan 8.380 nan 0.000 0.422 210 Y N 1.613 121.880 120.300 -0.056 0.000 2.139 210 Y HA -0.219 4.332 4.550 0.001 0.000 0.282 210 Y C 2.659 178.499 175.900 -0.101 0.000 1.179 210 Y CA 0.374 58.452 58.100 -0.036 0.000 1.161 210 Y CB -0.343 38.106 38.460 -0.018 0.000 0.970 210 Y HN 0.093 nan 8.280 nan 0.000 0.511 211 L N 0.212 121.372 121.223 -0.104 0.000 1.990 211 L HA -0.336 4.005 4.340 0.001 0.000 0.213 211 L C 1.764 178.633 176.870 -0.002 0.000 1.072 211 L CA 2.005 56.764 54.840 -0.134 0.000 0.755 211 L CB -0.411 41.481 42.059 -0.278 0.000 0.889 211 L HN 0.322 nan 8.230 nan 0.000 0.432 212 N N -0.893 117.805 118.700 -0.002 0.000 2.120 212 N HA -0.234 4.507 4.740 0.001 0.000 0.188 212 N C 1.784 177.330 175.510 0.059 0.000 1.024 212 N CA 1.057 54.126 53.050 0.031 0.000 0.852 212 N CB -0.114 38.383 38.487 0.017 0.000 1.003 212 N HN 0.228 nan 8.380 nan 0.000 0.424 213 Q N 0.112 119.959 119.800 0.078 0.000 2.050 213 Q HA 0.062 4.402 4.340 0.001 0.000 0.202 213 Q C 1.813 177.873 176.000 0.100 0.000 0.980 213 Q CA 1.428 57.289 55.803 0.096 0.000 0.840 213 Q CB -0.074 28.747 28.738 0.138 0.000 0.898 213 Q HN 0.463 nan 8.270 nan 0.000 0.424 214 M N -0.987 118.682 119.600 0.115 0.000 2.419 214 M HA 0.002 4.482 4.480 0.001 0.000 0.264 214 M C 1.894 178.272 176.300 0.131 0.000 1.082 214 M CA 0.847 56.221 55.300 0.123 0.000 1.119 214 M CB -0.157 32.528 32.600 0.142 0.000 1.398 214 M HN 0.076 nan 8.290 nan 0.000 0.453 215 R N 1.116 121.687 120.500 0.119 0.000 2.096 215 R HA -0.102 4.238 4.340 0.001 0.000 0.240 215 R C 2.114 178.488 176.300 0.123 0.000 1.139 215 R CA 1.400 57.577 56.100 0.128 0.000 0.952 215 R CB -0.451 29.912 30.300 0.106 0.000 0.854 215 R HN 0.392 nan 8.270 nan 0.000 0.436 216 L N -0.252 121.030 121.223 0.100 0.000 2.179 216 L HA 0.064 4.404 4.340 0.001 0.000 0.208 216 L C 1.484 178.406 176.870 0.086 0.000 1.096 216 L CA 0.199 55.092 54.840 0.088 0.000 0.779 216 L CB -0.756 41.346 42.059 0.071 0.000 0.922 216 L HN 0.196 nan 8.230 nan 0.000 0.443 217 G N 1.047 109.898 108.800 0.086 0.000 2.474 217 G HA2 0.165 4.125 3.960 0.001 0.000 0.233 217 G HA3 0.165 4.125 3.960 0.001 0.000 0.233 217 G C -0.109 174.840 174.900 0.081 0.000 1.278 217 G CA -0.140 45.002 45.100 0.070 0.000 0.861 217 G HN 0.231 nan 8.290 nan 0.000 0.567 218 R N 0.375 120.907 120.500 0.052 0.000 2.867 218 R HA 0.620 4.960 4.340 0.001 0.000 0.268 218 R C -0.552 175.750 176.300 0.003 0.000 1.014 218 R CA -0.894 55.243 56.100 0.061 0.000 0.946 218 R CB 1.850 32.190 30.300 0.067 0.000 1.208 218 R HN 0.385 nan 8.270 nan 0.000 0.477 219 L N 1.529 122.756 121.223 0.007 0.000 2.286 219 L HA 0.557 4.898 4.340 0.001 0.000 0.265 219 L C -2.003 174.850 176.870 -0.030 0.000 1.012 219 L CA -2.335 52.435 54.840 -0.116 0.000 0.818 219 L CB 1.804 43.676 42.059 -0.310 0.000 1.337 219 L HN 0.414 nan 8.230 nan 0.000 0.438 220 P HA -0.079 nan 4.420 nan 0.000 0.263 220 P C -0.150 177.211 177.300 0.101 0.000 1.175 220 P CA 0.306 63.445 63.100 0.065 0.000 0.761 220 P CB 0.500 32.292 31.700 0.154 0.000 0.794 221 N N 3.076 121.835 118.700 0.098 0.000 2.322 221 N HA -0.207 4.533 4.740 0.001 0.000 0.189 221 N C 0.972 176.562 175.510 0.134 0.000 1.012 221 N CA 1.436 54.555 53.050 0.115 0.000 0.880 221 N CB -0.243 38.297 38.487 0.088 0.000 0.967 221 N HN 0.451 nan 8.380 nan 0.000 0.439 222 N N -0.876 117.896 118.700 0.120 0.000 2.275 222 N HA -0.054 4.687 4.740 0.001 0.000 0.236 222 N C 0.788 176.337 175.510 0.066 0.000 1.154 222 N CA -0.381 52.731 53.050 0.103 0.000 0.866 222 N CB -0.866 37.668 38.487 0.078 0.000 1.093 222 N HN 0.122 nan 8.380 nan 0.000 0.515 223 F N 0.739 120.597 119.950 -0.154 0.000 2.126 223 F HA -0.005 4.523 4.527 0.001 0.000 0.299 223 F C 0.718 176.214 175.800 -0.507 0.000 1.096 223 F CA 1.373 59.108 58.000 -0.441 0.000 1.255 223 F CB -0.043 38.547 39.000 -0.683 0.000 0.997 223 F HN 0.080 nan 8.300 nan 0.000 0.479 224 W N 0.301 121.535 121.300 -0.111 0.000 3.290 224 W HA 0.278 4.938 4.660 0.001 0.000 0.287 224 W C 0.605 177.100 176.519 -0.039 0.000 1.288 224 W CA 0.236 57.462 57.345 -0.199 0.000 1.725 224 W CB -0.927 28.373 29.460 -0.266 0.000 1.103 224 W HN -0.183 nan 8.180 nan 0.000 0.670 225 V N 0.489 120.487 119.914 0.139 0.000 2.788 225 V HA 0.135 4.256 4.120 0.001 0.000 0.307 225 V C -2.016 174.165 176.094 0.144 0.000 1.069 225 V CA -2.318 60.066 62.300 0.140 0.000 1.173 225 V CB -0.062 31.814 31.823 0.089 0.000 0.925 225 V HN -0.209 nan 8.190 nan 0.000 0.492 226 P HA 0.199 nan 4.420 nan 0.000 0.262 226 P C -0.384 177.080 177.300 0.273 0.000 1.182 226 P CA 0.509 63.762 63.100 0.255 0.000 0.761 226 P CB 0.179 31.970 31.700 0.151 0.000 0.795 227 R N 1.752 122.502 120.500 0.417 0.000 2.765 227 R HA 0.398 4.739 4.340 0.001 0.000 0.277 227 R C -1.567 174.855 176.300 0.203 0.000 1.028 227 R CA -0.848 55.462 56.100 0.351 0.000 0.860 227 R CB -0.123 30.259 30.300 0.137 0.000 1.270 227 R HN 0.414 nan 8.270 nan 0.000 0.484 228 C N 1.781 121.152 119.300 0.120 0.000 2.605 228 C HA 0.459 4.920 4.460 0.001 0.000 0.404 228 C C 1.405 176.418 174.990 0.038 0.000 1.284 228 C CA -0.468 58.543 59.018 -0.012 0.000 2.199 228 C CB -0.469 27.273 27.740 0.004 0.000 2.647 228 C HN 0.742 nan 8.230 nan 0.000 0.604 229 L N 3.259 124.524 121.223 0.070 0.000 2.749 229 L HA 0.431 4.772 4.340 0.001 0.000 0.242 229 L C -0.220 176.798 176.870 0.247 0.000 1.103 229 L CA 0.165 55.075 54.840 0.116 0.000 0.906 229 L CB 0.034 42.150 42.059 0.096 0.000 1.228 229 L HN 0.669 nan 8.230 nan 0.000 0.517 230 F N 0.449 120.428 119.950 0.049 0.000 2.639 230 F HA 0.344 4.872 4.527 0.001 0.000 0.326 230 F C -0.578 175.258 175.800 0.060 0.000 1.150 230 F CA -0.840 57.202 58.000 0.069 0.000 1.057 230 F CB 1.429 40.506 39.000 0.128 0.000 1.300 230 F HN -0.201 nan 8.300 nan 0.000 0.486 231 S N 7.994 123.298 115.700 -0.659 0.000 2.475 231 S HA 0.777 5.248 4.470 0.001 0.000 0.298 231 S C -2.612 171.522 174.600 -0.777 0.000 1.119 231 S CA -1.193 56.706 58.200 -0.502 0.000 1.085 231 S CB 1.522 64.546 63.200 -0.292 0.000 1.028 231 S HN 0.584 nan 8.310 nan 0.000 0.489 232 P HA 0.000 nan 4.420 nan 0.000 0.216 232 P CA 0.000 62.952 63.100 -0.247 0.000 0.800 232 P CB 0.000 31.663 31.700 -0.061 0.000 0.726