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 2vlc_1_A DATA FIRST_RESID 1 DATA SEQUENCE YQTVTFTTKN ATKTSYTQFI EALRAQLASG EEPHGIPVMR ERSTVPDSKR DATA SEQUENCE FILVELSNWA ADSPVTLAVD VTNAYVVAYR TGSQSFFLRE DNPDPAIENL DATA SEQUENCE LPDTKRYTFP FSGSYTDLER VAGERREEIL LGMDPLENAI SALWISNLNQ DATA SEQUENCE QRALARSLIV VIQMVAEAVR FRFIEYRVRE SISRAEMFRP DPAMLSLENK DATA SEQUENCE WSALSNAVQQ SNQGGVFSSP VELRSISNKP VYVGSVSDRV ISGLAIMLFI DATA SEQUENCE cRSTXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXNDDTcA DPEPTVRISG DATA SEQUENCE RNGLcVRVRD GKYNNGNPIQ LWPcKQNSDV NQLWTLRRDG TIRSNGKcLT DATA SEQUENCE TNGYSAGDYV MIYDcRTPVT AASIWQFWAN GTIINPQSAL VLSAESGNPR DATA SEQUENCE TTLTVQADIY ASRQGWLAGN NTEPFVTSIV GFNDLcMQAN GDAMWVVEcE DATA SEQUENCE SSKAEQKWAL YPDGSIRPHQ DRDRcLTSTD NHSQGSIIII SScSPGSEGQ DATA SEQUENCE RWVFMNDGTI LNLKNGLVMD VKGSDPSLHQ IIIWPATGKP NQKWLPLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.927 175.900 0.044 0.000 1.272 1 Y CA 0.000 58.121 58.100 0.035 0.000 1.940 1 Y CB 0.000 38.477 38.460 0.028 0.000 1.050 2 Q N 0.521 120.431 119.800 0.183 0.000 2.286 2 Q HA 0.223 4.560 4.340 -0.005 0.000 0.243 2 Q C -0.488 175.593 176.000 0.135 0.000 0.752 2 Q CA 0.580 56.472 55.803 0.149 0.000 0.950 2 Q CB 1.707 30.516 28.738 0.118 0.000 1.253 2 Q HN 0.638 nan 8.270 nan 0.000 0.492 3 T N 1.744 116.372 114.554 0.124 0.000 2.864 3 T HA 0.408 4.754 4.350 -0.005 0.000 0.299 3 T C -0.356 174.422 174.700 0.129 0.000 1.011 3 T CA -0.406 61.764 62.100 0.117 0.000 0.975 3 T CB 1.653 70.574 68.868 0.089 0.000 0.962 3 T HN 0.074 nan 8.240 nan 0.000 0.448 4 V N 1.560 121.572 119.914 0.162 0.000 2.427 4 V HA 0.908 5.025 4.120 -0.005 0.000 0.286 4 V C 0.237 176.456 176.094 0.207 0.000 1.034 4 V CA -0.749 61.676 62.300 0.208 0.000 0.893 4 V CB 1.069 33.052 31.823 0.266 0.000 0.982 4 V HN 0.906 nan 8.190 nan 0.000 0.452 5 T N 2.358 116.999 114.554 0.146 0.000 2.888 5 T HA 0.791 5.138 4.350 -0.005 0.000 0.284 5 T C -0.991 173.655 174.700 -0.091 0.000 1.017 5 T CA -0.471 61.643 62.100 0.023 0.000 1.022 5 T CB 1.749 70.609 68.868 -0.013 0.000 1.013 5 T HN 1.004 nan 8.240 nan 0.000 0.465 6 F N 0.968 120.613 119.950 -0.508 0.000 2.588 6 F HA 0.685 5.209 4.527 -0.005 0.000 0.310 6 F C -0.620 174.951 175.800 -0.381 0.000 1.082 6 F CA -0.457 57.147 58.000 -0.659 0.000 0.929 6 F CB 2.401 40.496 39.000 -1.507 0.000 1.254 6 F HN 0.876 nan 8.300 nan 0.000 0.455 7 T N 2.674 116.504 114.554 -1.206 0.000 2.893 7 T HA 0.358 4.705 4.350 -0.005 0.000 0.291 7 T C 0.454 174.431 174.700 -1.205 0.000 1.028 7 T CA -0.134 61.405 62.100 -0.935 0.000 0.995 7 T CB 1.771 70.294 68.868 -0.575 0.000 1.051 7 T HN 0.732 nan 8.240 nan 0.000 0.470 8 T N 2.590 116.716 114.554 -0.715 0.000 2.937 8 T HA 0.099 4.446 4.350 -0.005 0.000 0.260 8 T C 0.457 174.896 174.700 -0.436 0.000 1.051 8 T CA 0.585 62.416 62.100 -0.449 0.000 1.141 8 T CB -0.134 68.586 68.868 -0.245 0.000 0.879 8 T HN 0.553 nan 8.240 nan 0.000 0.459 9 K N 3.265 123.244 120.400 -0.701 0.000 2.401 9 K HA -0.116 4.201 4.320 -0.005 0.000 0.267 9 K C 0.333 176.743 176.600 -0.316 0.000 1.140 9 K CA 0.160 55.962 56.287 -0.809 0.000 1.199 9 K CB -0.392 31.548 32.500 -0.934 0.000 0.822 9 K HN 0.257 nan 8.250 nan 0.000 0.488 10 N N 0.681 119.366 118.700 -0.025 0.000 2.705 10 N HA -0.233 4.503 4.740 -0.005 0.000 0.255 10 N C -0.956 174.537 175.510 -0.028 0.000 1.008 10 N CA 0.480 53.552 53.050 0.037 0.000 0.742 10 N CB -0.326 38.189 38.487 0.047 0.000 0.906 10 N HN 0.688 nan 8.380 nan 0.000 0.541 11 A N 0.656 123.453 122.820 -0.037 0.000 2.354 11 A HA 0.490 4.807 4.320 -0.005 0.000 0.269 11 A C 0.650 178.273 177.584 0.065 0.000 1.109 11 A CA 0.299 52.329 52.037 -0.012 0.000 0.800 11 A CB 1.241 20.244 19.000 0.006 0.000 1.045 11 A HN 0.387 nan 8.150 nan 0.000 0.489 12 T N -0.031 114.583 114.554 0.100 0.000 2.949 12 T HA 0.312 4.659 4.350 -0.005 0.000 0.287 12 T C 1.257 176.042 174.700 0.141 0.000 1.034 12 T CA -0.198 61.958 62.100 0.093 0.000 1.018 12 T CB 1.086 69.994 68.868 0.067 0.000 1.135 12 T HN 0.746 nan 8.240 nan 0.000 0.532 13 K N 0.957 121.412 120.400 0.091 0.000 2.147 13 K HA -0.107 4.209 4.320 -0.005 0.000 0.205 13 K C 1.584 178.271 176.600 0.145 0.000 1.049 13 K CA 2.086 58.433 56.287 0.100 0.000 0.936 13 K CB -0.745 31.770 32.500 0.026 0.000 0.722 13 K HN 0.647 nan 8.250 nan 0.000 0.446 14 T N 1.020 115.641 114.554 0.110 0.000 2.668 14 T HA -0.156 4.191 4.350 -0.005 0.000 0.262 14 T C 2.111 176.906 174.700 0.159 0.000 1.045 14 T CA 2.029 64.195 62.100 0.109 0.000 1.152 14 T CB -0.433 68.482 68.868 0.079 0.000 0.864 14 T HN 0.560 nan 8.240 nan 0.000 0.419 15 S N 0.781 116.594 115.700 0.189 0.000 2.423 15 S HA -0.134 4.333 4.470 -0.005 0.000 0.231 15 S C 1.948 176.792 174.600 0.406 0.000 1.014 15 S CA 0.746 59.089 58.200 0.237 0.000 0.965 15 S CB -0.791 62.512 63.200 0.172 0.000 0.785 15 S HN 0.580 nan 8.310 nan 0.000 0.495 16 Y N 2.564 123.058 120.300 0.324 0.000 2.200 16 Y HA -0.029 4.517 4.550 -0.005 0.000 0.290 16 Y C 2.534 178.526 175.900 0.153 0.000 1.137 16 Y CA 1.937 60.195 58.100 0.262 0.000 1.163 16 Y CB -0.889 37.658 38.460 0.146 0.000 0.988 16 Y HN 0.277 nan 8.280 nan 0.000 0.518 17 T N 0.064 114.693 114.554 0.125 0.000 2.746 17 T HA -0.267 4.080 4.350 -0.005 0.000 0.267 17 T C 2.190 176.874 174.700 -0.025 0.000 1.039 17 T CA 2.160 64.255 62.100 -0.008 0.000 1.142 17 T CB -0.732 68.176 68.868 0.067 0.000 0.866 17 T HN 0.594 nan 8.240 nan 0.000 0.444 18 Q N 0.804 120.646 119.800 0.069 0.000 2.096 18 Q HA -0.147 4.190 4.340 -0.005 0.000 0.204 18 Q C 1.992 178.048 176.000 0.094 0.000 0.982 18 Q CA 2.125 57.976 55.803 0.080 0.000 0.850 18 Q CB -1.434 27.373 28.738 0.116 0.000 0.901 18 Q HN 0.679 nan 8.270 nan 0.000 0.422 19 F N 1.072 121.001 119.950 -0.036 0.000 2.075 19 F HA -0.136 4.388 4.527 -0.006 0.000 0.297 19 F C 2.036 177.724 175.800 -0.185 0.000 1.113 19 F CA 1.514 59.471 58.000 -0.072 0.000 1.218 19 F CB -0.350 38.621 39.000 -0.048 0.000 0.984 19 F HN 0.228 nan 8.300 nan 0.000 0.472 20 I N 0.690 120.822 120.570 -0.731 0.000 2.163 20 I HA -0.268 3.899 4.170 -0.005 0.000 0.243 20 I C 2.401 178.259 176.117 -0.431 0.000 1.085 20 I CA 1.709 62.531 61.300 -0.797 0.000 1.347 20 I CB -1.534 36.046 38.000 -0.700 0.000 1.044 20 I HN 0.246 nan 8.210 nan 0.000 0.408 21 E N 0.847 120.895 120.200 -0.253 0.000 2.153 21 E HA -0.132 4.215 4.350 -0.005 0.000 0.194 21 E C 2.195 178.728 176.600 -0.112 0.000 0.988 21 E CA 1.447 57.764 56.400 -0.139 0.000 0.811 21 E CB -0.084 29.575 29.700 -0.070 0.000 0.746 21 E HN 0.441 nan 8.360 nan 0.000 0.466 22 A N -0.142 122.617 122.820 -0.101 0.000 1.970 22 A HA -0.038 4.278 4.320 -0.005 0.000 0.216 22 A C 1.956 179.499 177.584 -0.067 0.000 1.170 22 A CA 0.790 52.804 52.037 -0.038 0.000 0.645 22 A CB -0.340 18.685 19.000 0.041 0.000 0.816 22 A HN 0.333 nan 8.150 nan 0.000 0.447 23 L N -0.146 120.975 121.223 -0.169 0.000 2.131 23 L HA 0.077 4.414 4.340 -0.005 0.000 0.206 23 L C 2.231 179.016 176.870 -0.140 0.000 1.087 23 L CA 1.498 56.235 54.840 -0.172 0.000 0.767 23 L CB -0.889 40.966 42.059 -0.340 0.000 0.917 23 L HN 0.328 nan 8.230 nan 0.000 0.441 24 R N -0.660 119.745 120.500 -0.158 0.000 2.096 24 R HA -0.087 4.249 4.340 -0.005 0.000 0.235 24 R C 2.204 178.458 176.300 -0.078 0.000 1.127 24 R CA 1.292 57.326 56.100 -0.111 0.000 0.968 24 R CB -0.441 29.793 30.300 -0.111 0.000 0.861 24 R HN 0.471 nan 8.270 nan 0.000 0.440 25 A N 0.686 123.461 122.820 -0.075 0.000 1.968 25 A HA -0.156 4.161 4.320 -0.005 0.000 0.217 25 A C 1.828 179.357 177.584 -0.092 0.000 1.169 25 A CA 1.062 53.059 52.037 -0.068 0.000 0.638 25 A CB -0.120 18.850 19.000 -0.051 0.000 0.812 25 A HN 0.326 nan 8.150 nan 0.000 0.446 26 Q N -0.937 118.810 119.800 -0.088 0.000 2.376 26 Q HA 0.233 4.569 4.340 -0.005 0.000 0.206 26 Q C 1.650 177.602 176.000 -0.081 0.000 0.921 26 Q CA 0.330 56.068 55.803 -0.110 0.000 0.911 26 Q CB 0.009 28.707 28.738 -0.066 0.000 1.032 26 Q HN 0.592 nan 8.270 nan 0.000 0.510 27 L N 0.668 121.856 121.223 -0.057 0.000 2.395 27 L HA 0.082 4.418 4.340 -0.005 0.000 0.218 27 L C 0.848 177.701 176.870 -0.029 0.000 1.130 27 L CA -0.297 54.522 54.840 -0.034 0.000 0.826 27 L CB 0.050 42.096 42.059 -0.021 0.000 0.941 27 L HN 0.022 nan 8.230 nan 0.000 0.451 28 A N 0.254 123.048 122.820 -0.043 0.000 2.454 28 A HA 0.352 4.669 4.320 -0.005 0.000 0.260 28 A C 0.615 178.172 177.584 -0.046 0.000 1.106 28 A CA -0.187 51.831 52.037 -0.032 0.000 0.780 28 A CB 0.077 19.055 19.000 -0.037 0.000 1.044 28 A HN 0.313 nan 8.150 nan 0.000 0.498 29 S N 2.253 117.936 115.700 -0.028 0.000 2.617 29 S HA 0.438 4.905 4.470 -0.005 0.000 0.269 29 S C 1.372 175.955 174.600 -0.029 0.000 1.292 29 S CA -0.107 58.070 58.200 -0.039 0.000 1.010 29 S CB 1.210 64.391 63.200 -0.032 0.000 0.944 29 S HN 1.276 nan 8.310 nan 0.000 0.536 30 G N 0.394 109.173 108.800 -0.035 0.000 2.499 30 G HA2 -0.086 3.871 3.960 -0.005 0.000 0.221 30 G HA3 -0.086 3.871 3.960 -0.005 0.000 0.221 30 G C 0.523 175.416 174.900 -0.012 0.000 1.109 30 G CA 0.479 45.563 45.100 -0.026 0.000 0.749 30 G HN 0.692 nan 8.290 nan 0.000 0.568 31 E N -0.025 120.176 120.200 0.000 0.000 2.404 31 E HA 0.271 4.617 4.350 -0.005 0.000 0.261 31 E C -0.070 176.541 176.600 0.019 0.000 1.074 31 E CA 0.073 56.482 56.400 0.016 0.000 0.917 31 E CB 0.988 30.715 29.700 0.045 0.000 0.965 31 E HN 0.431 nan 8.360 nan 0.000 0.433 32 E N 1.541 121.750 120.200 0.014 0.000 3.844 32 E HA 0.167 4.514 4.350 -0.005 0.000 0.260 32 E C -2.506 174.102 176.600 0.013 0.000 1.163 32 E CA -1.249 55.160 56.400 0.015 0.000 1.261 32 E CB 0.672 30.375 29.700 0.005 0.000 1.261 32 E HN 0.184 nan 8.360 nan 0.000 0.399 33 P HA -0.050 nan 4.420 nan 0.000 0.263 33 P C -0.191 177.162 177.300 0.089 0.000 1.195 33 P CA 0.623 63.727 63.100 0.007 0.000 0.762 33 P CB 0.343 32.067 31.700 0.040 0.000 0.799 34 H N 2.348 121.424 119.070 0.010 0.000 3.141 34 H HA -0.239 4.314 4.556 -0.005 0.000 0.260 34 H C 1.236 176.577 175.328 0.023 0.000 1.132 34 H CA 1.687 57.747 56.048 0.021 0.000 1.171 34 H CB -1.718 28.066 29.762 0.038 0.000 1.274 34 H HN 0.870 nan 8.280 nan 0.000 0.329 35 G N -0.177 108.673 108.800 0.083 0.000 2.176 35 G HA2 -0.256 3.700 3.960 -0.005 0.000 0.232 35 G HA3 -0.256 3.700 3.960 -0.005 0.000 0.232 35 G C 0.191 175.128 174.900 0.061 0.000 0.986 35 G CA 0.190 45.325 45.100 0.057 0.000 0.643 35 G HN 0.432 nan 8.290 nan 0.000 0.522 36 I N 1.560 122.173 120.570 0.073 0.000 2.404 36 I HA 0.352 4.518 4.170 -0.005 0.000 0.293 36 I C -2.216 173.925 176.117 0.041 0.000 0.992 36 I CA -2.659 58.676 61.300 0.057 0.000 1.149 36 I CB 2.023 40.063 38.000 0.066 0.000 1.315 36 I HN -0.196 nan 8.210 nan 0.000 0.446 37 P HA -0.012 nan 4.420 nan 0.000 0.264 37 P C -0.641 176.680 177.300 0.036 0.000 1.183 37 P CA 0.171 63.286 63.100 0.025 0.000 0.763 37 P CB 0.785 32.493 31.700 0.013 0.000 0.807 38 V N 4.591 124.533 119.914 0.046 0.000 2.960 38 V HA 0.481 4.598 4.120 -0.005 0.000 0.315 38 V C -0.173 175.972 176.094 0.085 0.000 1.087 38 V CA -1.160 61.180 62.300 0.066 0.000 0.982 38 V CB 1.932 33.803 31.823 0.081 0.000 1.039 38 V HN 0.391 nan 8.190 nan 0.000 0.437 39 M N 3.576 123.242 119.600 0.110 0.000 2.283 39 M HA 0.530 5.007 4.480 -0.005 0.000 0.314 39 M C 0.140 176.483 176.300 0.072 0.000 1.153 39 M CA -0.361 54.991 55.300 0.086 0.000 1.084 39 M CB 0.707 33.372 32.600 0.108 0.000 1.468 39 M HN 0.527 nan 8.290 nan 0.000 0.474 40 R N 0.979 121.462 120.500 -0.027 0.000 2.594 40 R HA 0.094 4.431 4.340 -0.005 0.000 0.272 40 R C -0.106 176.034 176.300 -0.267 0.000 1.074 40 R CA -0.269 55.746 56.100 -0.142 0.000 1.105 40 R CB 0.351 30.570 30.300 -0.134 0.000 1.008 40 R HN 0.565 nan 8.270 nan 0.000 0.472 41 E N 2.488 122.343 120.200 -0.574 0.000 2.344 41 E HA -0.072 4.274 4.350 -0.005 0.000 0.270 41 E C 0.826 177.207 176.600 -0.366 0.000 1.021 41 E CA -0.185 55.736 56.400 -0.798 0.000 0.887 41 E CB 0.816 29.755 29.700 -1.268 0.000 0.997 41 E HN 0.422 nan 8.360 nan 0.000 0.429 42 R N 2.160 122.521 120.500 -0.231 0.000 2.113 42 R HA -0.183 4.154 4.340 -0.005 0.000 0.244 42 R C 1.831 178.044 176.300 -0.145 0.000 1.142 42 R CA 2.148 58.156 56.100 -0.154 0.000 0.953 42 R CB -0.322 29.919 30.300 -0.098 0.000 0.860 42 R HN 0.656 nan 8.270 nan 0.000 0.438 43 S N -1.426 114.189 115.700 -0.142 0.000 2.595 43 S HA -0.031 4.436 4.470 -0.005 0.000 0.235 43 S C 1.242 175.769 174.600 -0.121 0.000 0.974 43 S CA 1.149 59.283 58.200 -0.109 0.000 0.942 43 S CB 0.363 63.513 63.200 -0.083 0.000 0.766 43 S HN 0.269 nan 8.310 nan 0.000 0.536 44 T N 0.958 115.416 114.554 -0.160 0.000 2.969 44 T HA 0.284 4.631 4.350 -0.005 0.000 0.250 44 T C 0.162 174.786 174.700 -0.126 0.000 1.021 44 T CA -0.015 61.993 62.100 -0.153 0.000 1.003 44 T CB 0.366 69.103 68.868 -0.219 0.000 1.040 44 T HN 0.258 nan 8.240 nan 0.000 0.492 45 V N 5.169 125.003 119.914 -0.133 0.000 2.383 45 V HA 0.380 4.497 4.120 -0.005 0.000 0.275 45 V C -2.266 173.769 176.094 -0.098 0.000 1.036 45 V CA -2.216 60.012 62.300 -0.120 0.000 0.889 45 V CB 0.907 32.640 31.823 -0.150 0.000 0.985 45 V HN 0.179 nan 8.190 nan 0.000 0.459 46 P HA 0.267 nan 4.420 nan 0.000 0.275 46 P C 0.035 177.303 177.300 -0.053 0.000 1.227 46 P CA -0.328 62.742 63.100 -0.050 0.000 0.781 46 P CB 1.079 32.763 31.700 -0.028 0.000 0.906 47 D N 0.524 120.904 120.400 -0.033 0.000 2.220 47 D HA -0.213 4.424 4.640 -0.005 0.000 0.198 47 D C 1.903 178.223 176.300 0.033 0.000 1.001 47 D CA 1.912 55.908 54.000 -0.007 0.000 0.875 47 D CB -0.568 40.256 40.800 0.040 0.000 0.921 47 D HN 0.415 nan 8.370 nan 0.000 0.454 48 S N -0.473 115.246 115.700 0.033 0.000 2.382 48 S HA -0.161 4.306 4.470 -0.005 0.000 0.228 48 S C 1.447 176.082 174.600 0.058 0.000 1.027 48 S CA 1.066 59.300 58.200 0.057 0.000 0.991 48 S CB 0.013 63.236 63.200 0.039 0.000 0.823 48 S HN 0.123 nan 8.310 nan 0.000 0.469 49 K N -0.054 120.350 120.400 0.007 0.000 2.593 49 K HA 0.283 4.599 4.320 -0.005 0.000 0.208 49 K C 1.120 177.672 176.600 -0.080 0.000 1.051 49 K CA -0.196 56.090 56.287 -0.002 0.000 1.111 49 K CB 0.371 32.867 32.500 -0.005 0.000 0.849 49 K HN 0.145 nan 8.250 nan 0.000 0.479 50 R N 0.012 120.402 120.500 -0.184 0.000 2.317 50 R HA 0.170 4.507 4.340 -0.005 0.000 0.208 50 R C -0.819 175.013 176.300 -0.780 0.000 0.914 50 R CA 0.478 56.273 56.100 -0.507 0.000 1.060 50 R CB 0.256 30.154 30.300 -0.670 0.000 1.015 50 R HN -0.106 nan 8.270 nan 0.000 0.498 51 F N -0.496 119.477 119.950 0.038 0.000 2.578 51 F HA 0.482 5.006 4.527 -0.006 0.000 0.311 51 F C -0.382 175.450 175.800 0.053 0.000 1.094 51 F CA -1.245 56.783 58.000 0.046 0.000 0.923 51 F CB 1.614 40.644 39.000 0.051 0.000 1.230 51 F HN -0.295 nan 8.300 nan 0.000 0.450 52 I N 3.612 124.336 120.570 0.256 0.000 2.441 52 I HA 0.411 4.578 4.170 -0.005 0.000 0.295 52 I C -0.911 175.316 176.117 0.183 0.000 0.994 52 I CA -0.796 60.615 61.300 0.185 0.000 1.144 52 I CB 1.776 39.853 38.000 0.128 0.000 1.314 52 I HN 0.337 nan 8.210 nan 0.000 0.445 53 L N 6.418 127.733 121.223 0.154 0.000 2.265 53 L HA 0.428 4.764 4.340 -0.005 0.000 0.288 53 L C -0.527 176.430 176.870 0.145 0.000 1.058 53 L CA -0.735 54.183 54.840 0.130 0.000 0.809 53 L CB 1.254 43.376 42.059 0.105 0.000 1.179 53 L HN 0.289 nan 8.230 nan 0.000 0.429 54 V N 3.118 123.125 119.914 0.156 0.000 2.328 54 V HA 0.210 4.327 4.120 -0.005 0.000 0.278 54 V C 0.097 176.276 176.094 0.143 0.000 1.021 54 V CA -0.522 61.893 62.300 0.191 0.000 0.838 54 V CB 1.296 33.268 31.823 0.248 0.000 0.999 54 V HN 0.703 nan 8.190 nan 0.000 0.447 55 E N 4.996 125.259 120.200 0.105 0.000 2.014 55 E HA 0.469 4.816 4.350 -0.005 0.000 0.275 55 E C -1.014 175.588 176.600 0.004 0.000 0.997 55 E CA -0.334 56.102 56.400 0.060 0.000 0.804 55 E CB 0.777 30.504 29.700 0.045 0.000 1.090 55 E HN 0.603 nan 8.360 nan 0.000 0.401 56 L N 2.515 123.748 121.223 0.017 0.000 2.325 56 L HA 0.488 4.824 4.340 -0.005 0.000 0.279 56 L C 0.098 176.926 176.870 -0.069 0.000 1.054 56 L CA -0.424 54.405 54.840 -0.019 0.000 0.804 56 L CB 1.718 43.802 42.059 0.042 0.000 1.200 56 L HN 0.424 nan 8.230 nan 0.000 0.436 57 S N 1.430 117.034 115.700 -0.160 0.000 2.732 57 S HA 0.703 5.170 4.470 -0.005 0.000 0.293 57 S C -1.195 173.224 174.600 -0.302 0.000 1.159 57 S CA -0.804 57.256 58.200 -0.234 0.000 0.847 57 S CB 2.235 65.270 63.200 -0.274 0.000 1.169 57 S HN 0.660 nan 8.310 nan 0.000 0.501 58 N N -1.824 116.651 118.700 -0.376 0.000 3.348 58 N HA 0.324 5.061 4.740 -0.005 0.000 0.233 58 N C -1.181 174.073 175.510 -0.425 0.000 1.440 58 N CA -0.575 52.282 53.050 -0.323 0.000 0.887 58 N CB 0.112 38.468 38.487 -0.219 0.000 1.410 58 N HN 0.626 nan 8.380 nan 0.000 0.502 59 W N 0.721 121.942 121.300 -0.133 0.000 2.560 59 W HA 0.358 5.014 4.660 -0.006 0.000 0.303 59 W C 1.451 177.878 176.519 -0.153 0.000 1.151 59 W CA 0.591 57.861 57.345 -0.125 0.000 1.426 59 W CB -0.117 29.288 29.460 -0.092 0.000 1.135 59 W HN 0.619 nan 8.180 nan 0.000 0.522 60 A N 1.379 124.250 122.820 0.085 0.000 3.004 60 A HA 0.467 4.784 4.320 -0.005 0.000 0.252 60 A C 0.693 178.092 177.584 -0.308 0.000 1.802 60 A CA 0.423 52.421 52.037 -0.065 0.000 1.424 60 A CB -1.597 17.381 19.000 -0.035 0.000 1.005 60 A HN 0.150 nan 8.150 nan 0.000 0.631 61 A N 0.007 122.648 122.820 -0.298 0.000 2.297 61 A HA 0.317 4.634 4.320 -0.005 0.000 0.279 61 A C 0.866 178.037 177.584 -0.687 0.000 1.219 61 A CA 0.960 52.724 52.037 -0.456 0.000 0.827 61 A CB 0.143 18.983 19.000 -0.267 0.000 1.129 61 A HN 0.600 nan 8.150 nan 0.000 0.511 62 D N -2.950 117.113 120.400 -0.563 0.000 2.480 62 D HA 0.144 4.781 4.640 -0.005 0.000 0.276 62 D C -0.456 175.785 176.300 -0.099 0.000 1.294 62 D CA 0.685 54.551 54.000 -0.224 0.000 0.829 62 D CB 0.300 41.042 40.800 -0.096 0.000 1.242 62 D HN 0.601 nan 8.370 nan 0.000 0.513 63 S N 0.085 115.749 115.700 -0.060 0.000 2.542 63 S HA 0.841 5.307 4.470 -0.005 0.000 0.293 63 S C -2.814 171.817 174.600 0.053 0.000 1.089 63 S CA -1.276 56.968 58.200 0.074 0.000 0.961 63 S CB 2.058 65.406 63.200 0.247 0.000 1.062 63 S HN -0.083 nan 8.310 nan 0.000 0.483 64 P HA 0.465 nan 4.420 nan 0.000 0.281 64 P C -0.985 176.418 177.300 0.172 0.000 1.264 64 P CA -0.804 62.324 63.100 0.047 0.000 0.824 64 P CB 0.553 32.261 31.700 0.012 0.000 1.092 65 V N 1.234 121.247 119.914 0.166 0.000 2.432 65 V HA 0.268 4.384 4.120 -0.005 0.000 0.271 65 V C 0.429 176.629 176.094 0.177 0.000 1.046 65 V CA 0.187 62.624 62.300 0.229 0.000 0.945 65 V CB 0.576 32.510 31.823 0.185 0.000 0.992 65 V HN 0.539 nan 8.190 nan 0.000 0.471 66 T N 7.053 121.735 114.554 0.213 0.000 2.770 66 T HA 0.618 4.965 4.350 -0.005 0.000 0.283 66 T C -0.301 174.516 174.700 0.196 0.000 0.988 66 T CA -0.309 61.891 62.100 0.168 0.000 0.957 66 T CB 0.681 69.629 68.868 0.133 0.000 0.930 66 T HN 0.404 nan 8.240 nan 0.000 0.443 67 L N 2.177 123.501 121.223 0.168 0.000 2.307 67 L HA 0.777 5.114 4.340 -0.005 0.000 0.282 67 L C 0.524 177.455 176.870 0.102 0.000 1.051 67 L CA -1.243 53.698 54.840 0.168 0.000 0.804 67 L CB 0.897 43.048 42.059 0.154 0.000 1.197 67 L HN 0.590 nan 8.230 nan 0.000 0.431 68 A N 3.406 126.243 122.820 0.027 0.000 2.279 68 A HA 0.603 4.920 4.320 -0.005 0.000 0.306 68 A C -0.300 177.345 177.584 0.102 0.000 1.300 68 A CA -0.373 51.647 52.037 -0.028 0.000 0.925 68 A CB 0.415 19.232 19.000 -0.304 0.000 1.152 68 A HN 0.464 nan 8.150 nan 0.000 0.544 69 V N 3.865 123.906 119.914 0.211 0.000 2.384 69 V HA 0.195 4.312 4.120 -0.005 0.000 0.287 69 V C -0.183 176.104 176.094 0.322 0.000 1.020 69 V CA -0.691 61.751 62.300 0.235 0.000 0.850 69 V CB 1.596 33.516 31.823 0.163 0.000 0.987 69 V HN 0.948 nan 8.190 nan 0.000 0.436 70 D N 3.712 124.293 120.400 0.301 0.000 2.348 70 D HA 0.080 4.716 4.640 -0.005 0.000 0.253 70 D C 1.100 177.424 176.300 0.040 0.000 1.161 70 D CA -0.240 53.863 54.000 0.171 0.000 0.876 70 D CB 2.056 42.942 40.800 0.143 0.000 1.160 70 D HN 0.389 nan 8.370 nan 0.000 0.459 71 V N 1.845 121.719 119.914 -0.065 0.000 3.241 71 V HA -0.056 4.061 4.120 -0.005 0.000 0.269 71 V C 1.680 177.750 176.094 -0.040 0.000 1.151 71 V CA 1.284 63.556 62.300 -0.046 0.000 1.158 71 V CB -0.722 31.055 31.823 -0.076 0.000 0.764 71 V HN 0.520 nan 8.190 nan 0.000 0.508 72 T N 2.200 116.715 114.554 -0.065 0.000 3.044 72 T HA 0.075 4.422 4.350 -0.005 0.000 0.255 72 T C 1.227 175.930 174.700 0.005 0.000 1.073 72 T CA 1.429 63.492 62.100 -0.061 0.000 1.125 72 T CB -0.181 68.613 68.868 -0.123 0.000 0.908 72 T HN 0.887 nan 8.240 nan 0.000 0.480 73 N N -0.627 118.088 118.700 0.025 0.000 1.938 73 N HA 0.321 5.058 4.740 -0.005 0.000 0.225 73 N C 0.572 176.244 175.510 0.270 0.000 1.400 73 N CA 0.490 53.636 53.050 0.160 0.000 0.772 73 N CB -0.213 38.136 38.487 -0.230 0.000 1.124 73 N HN 0.152 nan 8.380 nan 0.000 0.513 74 A N -0.635 122.282 122.820 0.162 0.000 2.826 74 A HA -0.260 4.057 4.320 -0.005 0.000 0.274 74 A C -0.603 177.121 177.584 0.234 0.000 1.443 74 A CA 0.536 52.652 52.037 0.131 0.000 0.833 74 A CB -2.812 16.189 19.000 0.002 0.000 1.023 74 A HN 0.399 nan 8.150 nan 0.000 0.600 75 Y N -1.177 119.156 120.300 0.056 0.000 2.411 75 Y HA 0.341 4.888 4.550 -0.005 0.000 0.333 75 Y C 0.947 176.895 175.900 0.079 0.000 1.186 75 Y CA -0.309 57.825 58.100 0.058 0.000 1.381 75 Y CB 0.713 39.229 38.460 0.093 0.000 1.273 75 Y HN 0.163 nan 8.280 nan 0.000 0.546 76 V N 5.753 125.768 119.914 0.169 0.000 2.356 76 V HA 0.037 4.154 4.120 -0.005 0.000 0.258 76 V C 0.883 177.068 176.094 0.153 0.000 1.065 76 V CA -0.115 62.272 62.300 0.145 0.000 0.935 76 V CB 0.152 32.038 31.823 0.107 0.000 1.061 76 V HN 0.801 nan 8.190 nan 0.000 0.484 77 V N 2.240 122.240 119.914 0.143 0.000 3.174 77 V HA 0.647 4.764 4.120 -0.005 0.000 0.254 77 V C 0.753 176.777 176.094 -0.117 0.000 1.120 77 V CA 1.002 63.364 62.300 0.104 0.000 1.114 77 V CB -0.077 31.856 31.823 0.183 0.000 0.756 77 V HN 0.811 nan 8.190 nan 0.000 0.467 78 A N -0.212 122.467 122.820 -0.235 0.000 2.581 78 A HA 0.859 5.175 4.320 -0.005 0.000 0.290 78 A C -1.380 176.146 177.584 -0.096 0.000 1.119 78 A CA -0.335 51.394 52.037 -0.513 0.000 0.670 78 A CB 1.267 19.355 19.000 -1.520 0.000 1.280 78 A HN 1.194 nan 8.150 nan 0.000 0.425 79 Y N -1.249 118.983 120.300 -0.112 0.000 2.609 79 Y HA 0.856 5.403 4.550 -0.005 0.000 0.336 79 Y C -0.679 175.283 175.900 0.102 0.000 1.129 79 Y CA -1.109 57.007 58.100 0.027 0.000 1.040 79 Y CB 1.200 39.733 38.460 0.123 0.000 1.310 79 Y HN 0.673 nan 8.280 nan 0.000 0.460 80 R N 0.902 121.538 120.500 0.226 0.000 2.664 80 R HA 0.568 4.905 4.340 -0.005 0.000 0.286 80 R C -1.175 175.321 176.300 0.326 0.000 0.967 80 R CA -0.776 55.426 56.100 0.169 0.000 0.933 80 R CB 2.034 32.393 30.300 0.099 0.000 1.146 80 R HN 0.919 nan 8.270 nan 0.000 0.468 81 T N 1.463 116.185 114.554 0.279 0.000 3.209 81 T HA 0.394 4.740 4.350 -0.005 0.000 0.366 81 T C 0.429 175.212 174.700 0.138 0.000 1.293 81 T CA 0.581 62.840 62.100 0.265 0.000 1.417 81 T CB -0.014 69.023 68.868 0.282 0.000 1.013 81 T HN 0.905 nan 8.240 nan 0.000 0.572 82 G N 2.949 111.836 108.800 0.144 0.000 2.536 82 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.277 82 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.277 82 G C 1.159 176.084 174.900 0.041 0.000 1.155 82 G CA 0.539 45.694 45.100 0.092 0.000 0.960 82 G HN 0.745 nan 8.290 nan 0.000 0.544 83 S N 0.959 116.663 115.700 0.007 0.000 2.496 83 S HA 0.154 4.621 4.470 -0.005 0.000 0.224 83 S C 0.943 175.499 174.600 -0.074 0.000 0.996 83 S CA 1.339 59.523 58.200 -0.026 0.000 0.927 83 S CB -0.220 62.962 63.200 -0.031 0.000 0.774 83 S HN 0.478 nan 8.310 nan 0.000 0.524 84 Q N 1.956 121.703 119.800 -0.087 0.000 2.274 84 Q HA 0.330 4.667 4.340 -0.005 0.000 0.256 84 Q C -0.473 175.343 176.000 -0.307 0.000 0.927 84 Q CA -0.176 55.487 55.803 -0.233 0.000 0.939 84 Q CB 1.587 30.243 28.738 -0.137 0.000 1.201 84 Q HN 0.382 nan 8.270 nan 0.000 0.426 85 S N 2.136 117.543 115.700 -0.489 0.000 2.473 85 S HA 0.743 5.210 4.470 -0.005 0.000 0.307 85 S C -0.880 173.312 174.600 -0.680 0.000 1.094 85 S CA -0.659 57.305 58.200 -0.392 0.000 1.070 85 S CB 0.610 63.776 63.200 -0.057 0.000 1.019 85 S HN 0.362 nan 8.310 nan 0.000 0.480 86 F N 2.409 122.089 119.950 -0.449 0.000 2.467 86 F HA 0.614 5.138 4.527 -0.005 0.000 0.336 86 F C -0.413 175.131 175.800 -0.426 0.000 1.123 86 F CA -0.908 56.778 58.000 -0.524 0.000 0.964 86 F CB 1.304 39.812 39.000 -0.819 0.000 1.136 86 F HN 0.553 nan 8.300 nan 0.000 0.447 87 F N 2.706 122.483 119.950 -0.287 0.000 2.507 87 F HA 0.621 5.145 4.527 -0.005 0.000 0.327 87 F C -0.413 175.358 175.800 -0.048 0.000 1.068 87 F CA -0.986 56.931 58.000 -0.138 0.000 0.965 87 F CB 1.641 40.526 39.000 -0.191 0.000 1.192 87 F HN 0.162 nan 8.300 nan 0.000 0.476 88 L N 3.433 124.796 121.223 0.233 0.000 2.289 88 L HA 0.415 4.751 4.340 -0.005 0.000 0.285 88 L C 0.451 177.403 176.870 0.137 0.000 1.049 88 L CA -0.678 54.291 54.840 0.216 0.000 0.804 88 L CB 0.849 43.051 42.059 0.238 0.000 1.195 88 L HN 0.491 nan 8.230 nan 0.000 0.428 89 R N 3.639 124.170 120.500 0.051 0.000 2.697 89 R HA 0.054 4.391 4.340 -0.005 0.000 0.265 89 R C -0.434 175.920 176.300 0.091 0.000 1.009 89 R CA 0.318 56.438 56.100 0.033 0.000 1.099 89 R CB 0.463 30.765 30.300 0.005 0.000 0.965 89 R HN 0.809 nan 8.270 nan 0.000 0.428 90 E N 1.689 121.938 120.200 0.082 0.000 2.340 90 E HA 0.195 4.542 4.350 -0.005 0.000 0.273 90 E C -0.784 175.866 176.600 0.084 0.000 0.891 90 E CA -0.893 55.571 56.400 0.107 0.000 0.757 90 E CB 1.251 31.031 29.700 0.134 0.000 1.231 90 E HN 0.328 nan 8.360 nan 0.000 0.439 91 D N 1.072 121.529 120.400 0.094 0.000 2.312 91 D HA -0.018 4.619 4.640 -0.005 0.000 0.211 91 D C -0.353 175.984 176.300 0.062 0.000 0.964 91 D CA 0.828 54.873 54.000 0.076 0.000 0.877 91 D CB 0.009 40.859 40.800 0.083 0.000 0.924 91 D HN 0.328 nan 8.370 nan 0.000 0.515 92 N N 0.791 119.531 118.700 0.067 0.000 2.710 92 N HA 0.159 4.896 4.740 -0.005 0.000 0.244 92 N C -2.780 172.761 175.510 0.053 0.000 1.321 92 N CA -0.870 52.212 53.050 0.053 0.000 0.758 92 N CB 1.901 40.418 38.487 0.051 0.000 1.284 92 N HN -0.140 nan 8.380 nan 0.000 0.530 93 P HA -0.061 nan 4.420 nan 0.000 0.255 93 P C -0.323 177.004 177.300 0.044 0.000 1.161 93 P CA 0.621 63.744 63.100 0.039 0.000 0.768 93 P CB 0.396 32.105 31.700 0.014 0.000 0.746 94 D N 4.541 124.982 120.400 0.068 0.000 2.256 94 D HA 0.125 4.762 4.640 -0.005 0.000 0.250 94 D C -1.150 175.192 176.300 0.069 0.000 1.093 94 D CA -1.762 52.280 54.000 0.070 0.000 0.882 94 D CB 0.728 41.589 40.800 0.102 0.000 1.185 94 D HN 0.175 nan 8.370 nan 0.000 0.437 95 P HA -0.253 nan 4.420 nan 0.000 0.216 95 P C 0.774 178.127 177.300 0.087 0.000 1.157 95 P CA 1.515 64.644 63.100 0.048 0.000 0.880 95 P CB 0.137 31.856 31.700 0.031 0.000 0.791 96 A N -0.714 122.179 122.820 0.122 0.000 1.858 96 A HA -0.191 4.125 4.320 -0.005 0.000 0.216 96 A C 2.257 180.063 177.584 0.369 0.000 1.190 96 A CA 1.720 53.894 52.037 0.228 0.000 0.617 96 A CB -1.636 17.460 19.000 0.160 0.000 0.827 96 A HN 0.115 nan 8.150 nan 0.000 0.443 97 I N -0.591 120.205 120.570 0.377 0.000 2.335 97 I HA -0.160 4.007 4.170 -0.005 0.000 0.251 97 I C 1.277 177.530 176.117 0.228 0.000 1.129 97 I CA 1.267 62.786 61.300 0.364 0.000 1.402 97 I CB 0.029 38.233 38.000 0.340 0.000 1.069 97 I HN 0.389 nan 8.210 nan 0.000 0.424 98 E N 2.984 123.243 120.200 0.098 0.000 2.489 98 E HA 0.105 4.452 4.350 -0.005 0.000 0.232 98 E C -1.358 175.243 176.600 0.003 0.000 0.990 98 E CA -0.374 56.001 56.400 -0.041 0.000 0.768 98 E CB 0.308 29.947 29.700 -0.100 0.000 1.270 98 E HN 0.353 nan 8.360 nan 0.000 0.423 99 N N 5.237 123.954 118.700 0.029 0.000 2.569 99 N HA 0.102 4.839 4.740 -0.005 0.000 0.254 99 N C 0.127 175.669 175.510 0.055 0.000 1.004 99 N CA -0.458 52.594 53.050 0.004 0.000 0.904 99 N CB 1.759 40.246 38.487 -0.000 0.000 1.165 99 N HN 0.339 nan 8.380 nan 0.000 0.513 100 L N 2.267 123.526 121.223 0.061 0.000 2.435 100 L HA 0.464 4.801 4.340 -0.005 0.000 0.195 100 L C -0.091 176.789 176.870 0.016 0.000 1.072 100 L CA 1.254 56.102 54.840 0.013 0.000 0.833 100 L CB -0.004 41.996 42.059 -0.098 0.000 1.081 100 L HN 0.475 nan 8.230 nan 0.000 0.485 101 L N 2.973 124.260 121.223 0.106 0.000 2.387 101 L HA 0.437 4.774 4.340 -0.005 0.000 0.259 101 L C -2.285 174.596 176.870 0.018 0.000 1.050 101 L CA -1.653 53.221 54.840 0.057 0.000 0.922 101 L CB 0.815 42.923 42.059 0.082 0.000 1.280 101 L HN 0.121 nan 8.230 nan 0.000 0.449 102 P HA 0.293 nan 4.420 nan 0.000 0.278 102 P C -0.890 176.397 177.300 -0.022 0.000 1.266 102 P CA -0.218 62.867 63.100 -0.024 0.000 0.807 102 P CB 0.641 32.330 31.700 -0.019 0.000 1.094 103 D N -2.864 117.516 120.400 -0.033 0.000 2.800 103 D HA -0.100 4.537 4.640 -0.005 0.000 0.248 103 D C -0.370 175.908 176.300 -0.036 0.000 1.091 103 D CA 1.022 55.004 54.000 -0.029 0.000 0.746 103 D CB -2.288 38.503 40.800 -0.015 0.000 1.062 103 D HN 0.544 nan 8.370 nan 0.000 0.431 104 T N -1.728 112.792 114.554 -0.057 0.000 2.831 104 T HA 0.224 4.571 4.350 -0.005 0.000 0.333 104 T C 0.856 175.486 174.700 -0.117 0.000 1.684 104 T CA -0.074 61.980 62.100 -0.075 0.000 1.049 104 T CB 1.973 70.805 68.868 -0.059 0.000 1.518 104 T HN 0.178 nan 8.240 nan 0.000 0.491 105 K N 1.985 122.290 120.400 -0.159 0.000 2.030 105 K HA -0.154 4.163 4.320 -0.005 0.000 0.222 105 K C 0.587 177.058 176.600 -0.215 0.000 1.056 105 K CA 2.350 58.510 56.287 -0.211 0.000 0.957 105 K CB -0.264 32.027 32.500 -0.347 0.000 0.727 105 K HN 0.675 nan 8.250 nan 0.000 0.452 106 R N -0.134 120.214 120.500 -0.252 0.000 2.331 106 R HA -0.234 4.102 4.340 -0.005 0.000 0.335 106 R C -1.729 174.433 176.300 -0.231 0.000 1.089 106 R CA 0.672 56.603 56.100 -0.281 0.000 0.921 106 R CB -1.483 28.619 30.300 -0.329 0.000 2.657 106 R HN 0.476 nan 8.270 nan 0.000 0.496 107 Y N 2.772 122.821 120.300 -0.419 0.000 2.485 107 Y HA 0.589 5.135 4.550 -0.006 0.000 0.345 107 Y C -0.585 175.114 175.900 -0.335 0.000 0.998 107 Y CA -0.317 57.571 58.100 -0.354 0.000 1.059 107 Y CB 1.980 40.230 38.460 -0.350 0.000 1.234 107 Y HN 0.362 nan 8.280 nan 0.000 0.461 108 T N 5.780 119.711 114.554 -1.039 0.000 2.807 108 T HA 0.467 4.814 4.350 -0.005 0.000 0.279 108 T C -0.708 173.323 174.700 -1.114 0.000 0.993 108 T CA -0.539 61.073 62.100 -0.814 0.000 0.970 108 T CB 0.588 69.176 68.868 -0.467 0.000 0.950 108 T HN 0.428 nan 8.240 nan 0.000 0.441 109 F N 3.257 122.872 119.950 -0.560 0.000 2.444 109 F HA 0.274 4.799 4.527 -0.005 0.000 0.331 109 F C -0.775 174.707 175.800 -0.531 0.000 1.167 109 F CA -2.034 55.581 58.000 -0.641 0.000 1.262 109 F CB 0.747 38.951 39.000 -1.326 0.000 1.196 109 F HN 0.403 nan 8.300 nan 0.000 0.583 110 P HA -0.014 nan 4.420 nan 0.000 0.245 110 P C -0.719 176.627 177.300 0.078 0.000 1.212 110 P CA 0.659 63.755 63.100 -0.007 0.000 0.774 110 P CB -0.417 31.349 31.700 0.109 0.000 0.999 111 F N -0.784 119.260 119.950 0.156 0.000 2.538 111 F HA 0.714 5.238 4.527 -0.005 0.000 0.325 111 F C 0.440 176.311 175.800 0.118 0.000 1.066 111 F CA -1.538 56.526 58.000 0.106 0.000 0.946 111 F CB 0.645 39.681 39.000 0.061 0.000 1.199 111 F HN -0.255 nan 8.300 nan 0.000 0.473 112 S N 0.333 116.226 115.700 0.321 0.000 2.681 112 S HA 0.507 4.974 4.470 -0.005 0.000 0.270 112 S C 0.993 175.742 174.600 0.247 0.000 1.209 112 S CA -0.220 58.113 58.200 0.222 0.000 0.988 112 S CB 1.009 64.297 63.200 0.147 0.000 1.006 112 S HN 1.192 nan 8.310 nan 0.000 0.558 113 G N 0.491 109.366 108.800 0.125 0.000 2.848 113 G HA2 0.159 4.116 3.960 -0.005 0.000 0.208 113 G HA3 0.159 4.116 3.960 -0.005 0.000 0.208 113 G C 0.626 175.422 174.900 -0.173 0.000 1.152 113 G CA 0.261 45.366 45.100 0.009 0.000 0.789 113 G HN 1.016 nan 8.290 nan 0.000 0.531 114 S N -1.223 114.409 115.700 -0.113 0.000 2.600 114 S HA 0.254 4.721 4.470 -0.005 0.000 0.265 114 S C 0.882 175.418 174.600 -0.108 0.000 1.325 114 S CA -0.508 57.592 58.200 -0.167 0.000 1.002 114 S CB 0.722 63.905 63.200 -0.027 0.000 0.921 114 S HN 0.282 nan 8.310 nan 0.000 0.554 115 Y N 0.706 120.988 120.300 -0.030 0.000 2.286 115 Y HA -0.075 4.473 4.550 -0.004 0.000 0.293 115 Y C 3.052 178.931 175.900 -0.034 0.000 1.124 115 Y CA 1.150 59.226 58.100 -0.039 0.000 1.178 115 Y CB -0.678 37.764 38.460 -0.030 0.000 1.010 115 Y HN 0.687 nan 8.280 nan 0.000 0.536 116 T N -0.238 114.403 114.554 0.144 0.000 2.665 116 T HA -0.216 4.131 4.350 -0.005 0.000 0.268 116 T C 1.194 175.922 174.700 0.047 0.000 1.035 116 T CA 1.792 63.940 62.100 0.080 0.000 1.151 116 T CB -0.405 68.507 68.868 0.073 0.000 0.862 116 T HN 0.281 nan 8.240 nan 0.000 0.438 117 D N 0.895 121.327 120.400 0.052 0.000 2.084 117 D HA 0.001 4.638 4.640 -0.005 0.000 0.194 117 D C 2.174 178.434 176.300 -0.067 0.000 0.990 117 D CA 0.796 54.820 54.000 0.041 0.000 0.826 117 D CB -0.446 40.425 40.800 0.119 0.000 0.971 117 D HN 0.283 nan 8.370 nan 0.000 0.453 118 L N 0.673 121.849 121.223 -0.078 0.000 2.046 118 L HA -0.143 4.194 4.340 -0.005 0.000 0.208 118 L C 2.334 179.096 176.870 -0.179 0.000 1.077 118 L CA 1.135 55.847 54.840 -0.214 0.000 0.747 118 L CB -0.316 41.684 42.059 -0.099 0.000 0.896 118 L HN 0.026 nan 8.230 nan 0.000 0.432 119 E N -0.411 119.749 120.200 -0.067 0.000 2.077 119 E HA -0.235 4.112 4.350 -0.005 0.000 0.193 119 E C 2.310 178.859 176.600 -0.084 0.000 0.989 119 E CA 0.767 57.126 56.400 -0.069 0.000 0.800 119 E CB -0.088 29.590 29.700 -0.036 0.000 0.746 119 E HN 0.277 nan 8.360 nan 0.000 0.452 120 R N 0.650 121.108 120.500 -0.069 0.000 2.094 120 R HA -0.182 4.154 4.340 -0.005 0.000 0.239 120 R C 2.286 178.533 176.300 -0.088 0.000 1.137 120 R CA 1.677 57.744 56.100 -0.055 0.000 0.943 120 R CB -0.399 29.887 30.300 -0.024 0.000 0.850 120 R HN 0.098 nan 8.270 nan 0.000 0.433 121 V N 0.477 120.289 119.914 -0.170 0.000 2.453 121 V HA -0.154 3.963 4.120 -0.005 0.000 0.247 121 V C 2.358 178.329 176.094 -0.205 0.000 1.048 121 V CA 1.697 63.864 62.300 -0.223 0.000 1.049 121 V CB -0.475 31.058 31.823 -0.483 0.000 0.672 121 V HN 0.481 nan 8.190 nan 0.000 0.457 122 A N -0.431 122.257 122.820 -0.220 0.000 2.014 122 A HA 0.228 4.544 4.320 -0.005 0.000 0.218 122 A C 2.144 179.665 177.584 -0.105 0.000 1.163 122 A CA 1.407 53.346 52.037 -0.165 0.000 0.652 122 A CB -0.658 18.244 19.000 -0.164 0.000 0.808 122 A HN 1.250 nan 8.150 nan 0.000 0.449 123 G N -0.733 108.014 108.800 -0.088 0.000 2.148 123 G HA2 -0.244 3.712 3.960 -0.005 0.000 0.254 123 G HA3 -0.244 3.712 3.960 -0.005 0.000 0.254 123 G C -0.121 174.744 174.900 -0.057 0.000 0.981 123 G CA 0.679 45.743 45.100 -0.061 0.000 0.670 123 G HN 1.091 nan 8.290 nan 0.000 0.528 124 E N -1.381 118.778 120.200 -0.068 0.000 2.449 124 E HA 0.708 5.055 4.350 -0.005 0.000 0.278 124 E C -0.328 176.227 176.600 -0.074 0.000 0.992 124 E CA -1.375 54.986 56.400 -0.066 0.000 0.807 124 E CB 1.311 30.971 29.700 -0.067 0.000 1.350 124 E HN 0.193 nan 8.360 nan 0.000 0.462 125 R N 0.054 120.509 120.500 -0.075 0.000 2.549 125 R HA 0.377 4.714 4.340 -0.005 0.000 0.259 125 R C 1.421 177.650 176.300 -0.119 0.000 1.095 125 R CA -0.515 55.532 56.100 -0.090 0.000 1.148 125 R CB 0.815 31.067 30.300 -0.080 0.000 1.181 125 R HN 0.501 nan 8.270 nan 0.000 0.571 126 R N 1.172 121.573 120.500 -0.163 0.000 2.096 126 R HA -0.171 4.166 4.340 -0.005 0.000 0.235 126 R C 1.708 177.911 176.300 -0.162 0.000 1.127 126 R CA 1.902 57.878 56.100 -0.207 0.000 0.968 126 R CB -0.140 29.956 30.300 -0.340 0.000 0.861 126 R HN 0.710 nan 8.270 nan 0.000 0.440 127 E N 0.910 121.031 120.200 -0.132 0.000 2.478 127 E HA -0.147 4.200 4.350 -0.005 0.000 0.198 127 E C 0.870 177.416 176.600 -0.089 0.000 1.046 127 E CA 0.893 57.232 56.400 -0.101 0.000 0.870 127 E CB 0.113 29.765 29.700 -0.080 0.000 0.818 127 E HN 0.452 nan 8.360 nan 0.000 0.527 128 E N 0.333 120.477 120.200 -0.094 0.000 2.431 128 E HA 0.189 4.536 4.350 -0.005 0.000 0.200 128 E C 0.002 176.545 176.600 -0.095 0.000 0.995 128 E CA -0.217 56.134 56.400 -0.083 0.000 0.915 128 E CB 0.520 30.178 29.700 -0.071 0.000 0.930 128 E HN 0.240 nan 8.360 nan 0.000 0.496 129 I N 2.175 122.675 120.570 -0.117 0.000 2.371 129 I HA 0.077 4.244 4.170 -0.005 0.000 0.290 129 I C -0.129 175.881 176.117 -0.178 0.000 1.028 129 I CA -0.334 60.888 61.300 -0.131 0.000 1.345 129 I CB 0.780 38.702 38.000 -0.129 0.000 1.407 129 I HN -0.077 nan 8.210 nan 0.000 0.501 130 L N 7.249 128.371 121.223 -0.169 0.000 2.456 130 L HA 0.236 4.573 4.340 -0.005 0.000 0.272 130 L C -0.187 176.498 176.870 -0.309 0.000 1.189 130 L CA 0.268 54.973 54.840 -0.225 0.000 0.846 130 L CB 0.216 42.186 42.059 -0.147 0.000 1.111 130 L HN 0.442 nan 8.230 nan 0.000 0.475 131 L N 2.219 123.107 121.223 -0.558 0.000 2.333 131 L HA 0.948 5.285 4.340 -0.005 0.000 0.269 131 L C 0.396 176.994 176.870 -0.453 0.000 1.010 131 L CA -0.433 54.033 54.840 -0.623 0.000 0.818 131 L CB 1.907 43.380 42.059 -0.976 0.000 1.306 131 L HN 0.794 nan 8.230 nan 0.000 0.430 132 G N 0.573 109.274 108.800 -0.165 0.000 2.357 132 G HA2 0.039 3.996 3.960 -0.005 0.000 0.289 132 G HA3 0.039 3.996 3.960 -0.005 0.000 0.289 132 G C -0.133 174.771 174.900 0.005 0.000 1.302 132 G CA -0.677 44.426 45.100 0.005 0.000 0.936 132 G HN 0.253 nan 8.290 nan 0.000 0.513 133 M N 0.042 119.659 119.600 0.029 0.000 2.067 133 M HA 0.011 4.488 4.480 -0.005 0.000 0.260 133 M C 1.984 178.310 176.300 0.044 0.000 1.069 133 M CA 1.939 57.270 55.300 0.050 0.000 1.117 133 M CB -1.278 31.359 32.600 0.062 0.000 1.334 133 M HN 0.619 nan 8.290 nan 0.000 0.407 134 D N -0.301 120.117 120.400 0.029 0.000 2.092 134 D HA -0.111 4.525 4.640 -0.005 0.000 0.193 134 D C -0.668 175.635 176.300 0.006 0.000 0.994 134 D CA 1.558 55.571 54.000 0.023 0.000 0.828 134 D CB -1.512 39.295 40.800 0.011 0.000 0.963 134 D HN 0.186 nan 8.370 nan 0.000 0.450 135 P HA -0.140 nan 4.420 nan 0.000 0.216 135 P C 1.728 179.016 177.300 -0.019 0.000 1.153 135 P CA 0.786 63.862 63.100 -0.039 0.000 0.858 135 P CB -0.032 31.616 31.700 -0.087 0.000 0.789 136 L N 0.134 121.358 121.223 0.001 0.000 2.056 136 L HA -0.151 4.186 4.340 -0.005 0.000 0.207 136 L C 2.321 179.213 176.870 0.035 0.000 1.078 136 L CA 1.962 56.821 54.840 0.031 0.000 0.749 136 L CB -1.369 40.737 42.059 0.078 0.000 0.901 136 L HN -0.131 nan 8.230 nan 0.000 0.433 137 E N -0.321 119.902 120.200 0.038 0.000 2.085 137 E HA -0.241 4.106 4.350 -0.005 0.000 0.194 137 E C 1.879 178.496 176.600 0.028 0.000 0.994 137 E CA 1.831 58.252 56.400 0.036 0.000 0.801 137 E CB -0.197 29.541 29.700 0.064 0.000 0.743 137 E HN 0.541 nan 8.360 nan 0.000 0.453 138 N N 0.407 119.120 118.700 0.021 0.000 2.142 138 N HA -0.093 4.644 4.740 -0.005 0.000 0.186 138 N C 1.681 177.196 175.510 0.009 0.000 1.023 138 N CA 1.469 54.528 53.050 0.015 0.000 0.852 138 N CB -0.759 37.730 38.487 0.003 0.000 0.998 138 N HN 0.322 nan 8.380 nan 0.000 0.424 139 A N 1.453 124.270 122.820 -0.005 0.000 1.883 139 A HA -0.105 4.212 4.320 -0.005 0.000 0.217 139 A C 2.348 179.923 177.584 -0.014 0.000 1.186 139 A CA 1.084 53.108 52.037 -0.021 0.000 0.624 139 A CB -0.809 18.173 19.000 -0.030 0.000 0.822 139 A HN 0.209 nan 8.150 nan 0.000 0.444 140 I N -0.471 120.102 120.570 0.005 0.000 2.163 140 I HA -0.251 3.916 4.170 -0.005 0.000 0.243 140 I C 2.783 178.944 176.117 0.074 0.000 1.085 140 I CA 1.555 62.868 61.300 0.021 0.000 1.347 140 I CB -0.318 37.686 38.000 0.008 0.000 1.044 140 I HN 0.238 nan 8.210 nan 0.000 0.408 141 S N 0.478 116.219 115.700 0.069 0.000 2.359 141 S HA -0.226 4.241 4.470 -0.005 0.000 0.224 141 S C 2.186 176.899 174.600 0.189 0.000 1.035 141 S CA 1.561 59.841 58.200 0.134 0.000 1.018 141 S CB -0.403 62.850 63.200 0.089 0.000 0.876 141 S HN 0.565 nan 8.310 nan 0.000 0.448 142 A N 0.709 123.585 122.820 0.094 0.000 2.015 142 A HA 0.119 4.436 4.320 -0.005 0.000 0.219 142 A C 1.984 179.588 177.584 0.034 0.000 1.163 142 A CA 0.871 52.943 52.037 0.058 0.000 0.646 142 A CB -0.461 18.545 19.000 0.011 0.000 0.806 142 A HN 0.473 nan 8.150 nan 0.000 0.448 143 L N -2.724 118.505 121.223 0.010 0.000 2.418 143 L HA -0.078 4.259 4.340 -0.005 0.000 0.218 143 L C 2.290 179.231 176.870 0.118 0.000 1.125 143 L CA 0.446 55.245 54.840 -0.068 0.000 0.835 143 L CB -0.269 41.604 42.059 -0.310 0.000 0.953 143 L HN 0.739 nan 8.230 nan 0.000 0.454 144 W N 1.061 122.366 121.300 0.008 0.000 2.413 144 W HA -0.155 4.501 4.660 -0.006 0.000 0.315 144 W C 2.317 178.882 176.519 0.076 0.000 1.186 144 W CA 1.121 58.505 57.345 0.065 0.000 1.326 144 W CB -0.005 29.480 29.460 0.042 0.000 1.153 144 W HN -0.121 nan 8.180 nan 0.000 0.489 145 I N 0.596 121.180 120.570 0.023 0.000 2.163 145 I HA -0.257 3.909 4.170 -0.005 0.000 0.243 145 I C 1.335 177.353 176.117 -0.166 0.000 1.085 145 I CA 1.943 63.146 61.300 -0.162 0.000 1.347 145 I CB -1.791 36.219 38.000 0.015 0.000 1.044 145 I HN -0.052 nan 8.210 nan 0.000 0.408 146 S N 2.008 117.641 115.700 -0.111 0.000 3.524 146 S HA -0.188 4.279 4.470 -0.005 0.000 0.377 146 S C 0.427 174.939 174.600 -0.147 0.000 0.949 146 S CA 0.357 58.429 58.200 -0.213 0.000 1.264 146 S CB -1.730 61.133 63.200 -0.560 0.000 0.918 146 S HN 0.560 nan 8.310 nan 0.000 0.517 147 N N 1.646 120.306 118.700 -0.068 0.000 2.402 147 N HA 0.162 4.899 4.740 -0.005 0.000 0.259 147 N C 0.916 176.421 175.510 -0.009 0.000 1.167 147 N CA -0.197 52.832 53.050 -0.035 0.000 0.949 147 N CB 0.134 38.612 38.487 -0.015 0.000 1.212 147 N HN 0.543 nan 8.380 nan 0.000 0.493 148 L N 2.103 123.312 121.223 -0.023 0.000 2.549 148 L HA -0.087 4.250 4.340 -0.005 0.000 0.229 148 L C 2.089 178.986 176.870 0.045 0.000 1.158 148 L CA 0.976 55.820 54.840 0.006 0.000 0.842 148 L CB -0.988 40.989 42.059 -0.137 0.000 0.952 148 L HN 0.666 nan 8.230 nan 0.000 0.452 149 N N -0.262 118.453 118.700 0.025 0.000 2.412 149 N HA 0.043 4.780 4.740 -0.005 0.000 0.184 149 N C 1.874 177.409 175.510 0.041 0.000 1.101 149 N CA 1.074 54.146 53.050 0.036 0.000 0.881 149 N CB -0.246 38.252 38.487 0.020 0.000 0.969 149 N HN 0.530 nan 8.380 nan 0.000 0.459 150 Q N -1.126 118.698 119.800 0.040 0.000 1.994 150 Q HA 0.269 4.605 4.340 -0.005 0.000 0.197 150 Q C 1.678 177.704 176.000 0.044 0.000 0.981 150 Q CA 1.859 57.681 55.803 0.031 0.000 0.838 150 Q CB -0.630 28.118 28.738 0.016 0.000 0.904 150 Q HN 0.691 nan 8.270 nan 0.000 0.460 151 Q N -1.860 117.975 119.800 0.058 0.000 2.858 151 Q HA -0.382 3.955 4.340 -0.005 0.000 0.191 151 Q C 1.826 177.815 176.000 -0.018 0.000 2.796 151 Q CA 2.262 58.118 55.803 0.089 0.000 0.359 151 Q CB -1.141 27.720 28.738 0.205 0.000 0.330 151 Q HN 0.658 nan 8.270 nan 0.000 0.511 152 R N -0.134 120.350 120.500 -0.028 0.000 2.096 152 R HA -0.161 4.176 4.340 -0.005 0.000 0.240 152 R C 1.934 178.170 176.300 -0.105 0.000 1.139 152 R CA 1.993 58.045 56.100 -0.080 0.000 0.952 152 R CB -0.360 29.913 30.300 -0.045 0.000 0.854 152 R HN 0.444 nan 8.270 nan 0.000 0.436 153 A N 0.234 123.013 122.820 -0.068 0.000 2.067 153 A HA 0.030 4.347 4.320 -0.005 0.000 0.217 153 A C 2.076 179.609 177.584 -0.085 0.000 1.156 153 A CA 0.491 52.486 52.037 -0.069 0.000 0.683 153 A CB -0.150 18.827 19.000 -0.039 0.000 0.808 153 A HN 0.311 nan 8.150 nan 0.000 0.455 154 L N -0.930 120.240 121.223 -0.089 0.000 2.072 154 L HA -0.136 4.201 4.340 -0.005 0.000 0.205 154 L C 3.044 179.803 176.870 -0.186 0.000 1.079 154 L CA 1.096 55.870 54.840 -0.111 0.000 0.752 154 L CB -0.449 41.566 42.059 -0.073 0.000 0.906 154 L HN 0.413 nan 8.230 nan 0.000 0.436 155 A N -0.183 122.467 122.820 -0.283 0.000 1.929 155 A HA -0.199 4.117 4.320 -0.005 0.000 0.216 155 A C 2.421 179.862 177.584 -0.239 0.000 1.176 155 A CA 1.292 53.086 52.037 -0.406 0.000 0.628 155 A CB -0.509 18.061 19.000 -0.718 0.000 0.816 155 A HN 0.298 nan 8.150 nan 0.000 0.444 156 R N -0.151 120.240 120.500 -0.181 0.000 2.083 156 R HA -0.124 4.213 4.340 -0.005 0.000 0.237 156 R C 2.259 178.497 176.300 -0.103 0.000 1.137 156 R CA 1.901 57.926 56.100 -0.125 0.000 0.951 156 R CB -0.334 29.905 30.300 -0.102 0.000 0.851 156 R HN 0.463 nan 8.270 nan 0.000 0.434 157 S N 0.718 116.355 115.700 -0.105 0.000 2.383 157 S HA -0.052 4.415 4.470 -0.005 0.000 0.227 157 S C 1.826 176.375 174.600 -0.085 0.000 1.026 157 S CA 0.931 59.078 58.200 -0.089 0.000 0.981 157 S CB -0.073 63.070 63.200 -0.095 0.000 0.818 157 S HN 0.288 nan 8.310 nan 0.000 0.472 158 L N 0.864 122.031 121.223 -0.094 0.000 2.141 158 L HA -0.030 4.306 4.340 -0.005 0.000 0.209 158 L C 2.035 178.897 176.870 -0.013 0.000 1.094 158 L CA 0.840 55.645 54.840 -0.060 0.000 0.763 158 L CB -0.516 41.519 42.059 -0.039 0.000 0.908 158 L HN 0.315 nan 8.230 nan 0.000 0.437 159 I N -0.901 119.663 120.570 -0.011 0.000 2.226 159 I HA -0.267 3.899 4.170 -0.005 0.000 0.245 159 I C 2.451 178.581 176.117 0.022 0.000 1.100 159 I CA 1.058 62.389 61.300 0.051 0.000 1.374 159 I CB -0.346 37.660 38.000 0.010 0.000 1.057 159 I HN 0.026 nan 8.210 nan 0.000 0.413 160 V N 0.477 120.374 119.914 -0.028 0.000 2.233 160 V HA -0.266 3.850 4.120 -0.005 0.000 0.247 160 V C 2.440 178.535 176.094 0.003 0.000 1.050 160 V CA 1.813 64.090 62.300 -0.038 0.000 1.010 160 V CB -0.626 31.167 31.823 -0.051 0.000 0.637 160 V HN 0.227 nan 8.190 nan 0.000 0.444 161 V N -0.306 119.613 119.914 0.007 0.000 2.261 161 V HA -0.253 3.864 4.120 -0.005 0.000 0.246 161 V C 2.219 178.346 176.094 0.055 0.000 1.047 161 V CA 2.313 64.632 62.300 0.033 0.000 1.015 161 V CB -0.480 31.347 31.823 0.006 0.000 0.642 161 V HN 0.431 nan 8.190 nan 0.000 0.446 162 I N -0.504 120.095 120.570 0.047 0.000 2.264 162 I HA -0.313 3.854 4.170 -0.005 0.000 0.248 162 I C 2.678 178.843 176.117 0.081 0.000 1.111 162 I CA 1.589 62.917 61.300 0.046 0.000 1.382 162 I CB -0.328 37.674 38.000 0.004 0.000 1.060 162 I HN 0.402 nan 8.210 nan 0.000 0.418 163 Q N -0.098 119.768 119.800 0.111 0.000 2.079 163 Q HA -0.139 4.198 4.340 -0.005 0.000 0.200 163 Q C 2.234 178.304 176.000 0.116 0.000 0.974 163 Q CA 1.330 57.204 55.803 0.118 0.000 0.840 163 Q CB -0.063 28.718 28.738 0.071 0.000 0.898 163 Q HN 0.540 nan 8.270 nan 0.000 0.430 164 M N -0.513 119.152 119.600 0.109 0.000 2.558 164 M HA -0.045 4.431 4.480 -0.005 0.000 0.255 164 M C 1.406 177.821 176.300 0.192 0.000 1.113 164 M CA 0.564 55.961 55.300 0.161 0.000 1.097 164 M CB 0.493 33.168 32.600 0.125 0.000 1.426 164 M HN 0.037 nan 8.290 nan 0.000 0.488 165 V N -0.950 119.031 119.914 0.112 0.000 3.240 165 V HA 0.196 4.313 4.120 -0.005 0.000 0.218 165 V C 2.226 178.287 176.094 -0.054 0.000 1.190 165 V CA 1.084 63.408 62.300 0.040 0.000 1.280 165 V CB -0.788 31.108 31.823 0.121 0.000 1.244 165 V HN 0.309 nan 8.190 nan 0.000 0.512 166 A N 0.195 122.995 122.820 -0.032 0.000 1.858 166 A HA -0.193 4.124 4.320 -0.005 0.000 0.216 166 A C 2.040 179.546 177.584 -0.129 0.000 1.190 166 A CA 1.911 53.892 52.037 -0.093 0.000 0.617 166 A CB -0.563 18.390 19.000 -0.078 0.000 0.827 166 A HN 0.579 nan 8.150 nan 0.000 0.443 167 E N 0.048 120.228 120.200 -0.034 0.000 2.058 167 E HA -0.178 4.168 4.350 -0.005 0.000 0.194 167 E C 2.325 178.993 176.600 0.113 0.000 0.997 167 E CA 1.298 57.730 56.400 0.053 0.000 0.801 167 E CB -0.713 29.079 29.700 0.152 0.000 0.746 167 E HN 0.588 nan 8.360 nan 0.000 0.450 168 A N 1.299 124.173 122.820 0.090 0.000 1.972 168 A HA -0.132 4.185 4.320 -0.005 0.000 0.219 168 A C 2.637 180.200 177.584 -0.035 0.000 1.169 168 A CA 1.305 53.397 52.037 0.092 0.000 0.635 168 A CB -0.680 18.397 19.000 0.128 0.000 0.810 168 A HN 0.130 nan 8.150 nan 0.000 0.446 169 V N -0.028 119.805 119.914 -0.136 0.000 2.343 169 V HA -0.294 3.823 4.120 -0.005 0.000 0.247 169 V C 2.688 178.671 176.094 -0.184 0.000 1.051 169 V CA 2.430 64.613 62.300 -0.195 0.000 1.036 169 V CB -0.723 30.969 31.823 -0.219 0.000 0.654 169 V HN 0.591 nan 8.190 nan 0.000 0.451 170 R N -1.439 118.905 120.500 -0.261 0.000 2.090 170 R HA 0.030 4.367 4.340 -0.005 0.000 0.228 170 R C 0.016 175.966 176.300 -0.583 0.000 1.110 170 R CA 0.888 56.697 56.100 -0.485 0.000 0.973 170 R CB -0.051 29.670 30.300 -0.965 0.000 0.869 170 R HN 0.404 nan 8.270 nan 0.000 0.440 171 F N -0.613 119.346 119.950 0.015 0.000 2.518 171 F HA 0.396 4.921 4.527 -0.004 0.000 0.323 171 F C 1.041 176.843 175.800 0.003 0.000 1.129 171 F CA -0.988 57.055 58.000 0.072 0.000 0.920 171 F CB 1.705 40.837 39.000 0.221 0.000 1.160 171 F HN -0.349 nan 8.300 nan 0.000 0.440 172 R N 1.392 121.897 120.500 0.008 0.000 2.237 172 R HA -0.061 4.275 4.340 -0.005 0.000 0.219 172 R C 1.258 177.572 176.300 0.023 0.000 1.080 172 R CA 1.111 57.175 56.100 -0.059 0.000 0.995 172 R CB -0.112 30.083 30.300 -0.175 0.000 0.875 172 R HN 0.545 nan 8.270 nan 0.000 0.462 173 F N 0.513 120.599 119.950 0.227 0.000 2.146 173 F HA -0.148 4.377 4.527 -0.004 0.000 0.298 173 F C 2.216 178.136 175.800 0.200 0.000 1.096 173 F CA 1.019 59.135 58.000 0.192 0.000 1.275 173 F CB -0.487 38.592 39.000 0.131 0.000 1.008 173 F HN 0.013 nan 8.300 nan 0.000 0.480 174 I N -1.067 119.743 120.570 0.399 0.000 2.716 174 I HA -0.053 4.114 4.170 -0.005 0.000 0.259 174 I C 2.129 178.385 176.117 0.231 0.000 1.172 174 I CA 1.240 62.700 61.300 0.267 0.000 1.478 174 I CB -0.588 37.553 38.000 0.234 0.000 1.104 174 I HN 0.176 nan 8.210 nan 0.000 0.439 175 E N 0.344 120.692 120.200 0.247 0.000 2.085 175 E HA -0.321 4.026 4.350 -0.005 0.000 0.194 175 E C 2.139 178.879 176.600 0.233 0.000 0.994 175 E CA 1.722 58.277 56.400 0.258 0.000 0.801 175 E CB -0.441 29.361 29.700 0.170 0.000 0.743 175 E HN 0.704 nan 8.360 nan 0.000 0.453 176 Y N 1.965 122.315 120.300 0.084 0.000 2.128 176 Y HA -0.242 4.304 4.550 -0.007 0.000 0.284 176 Y C 2.216 178.079 175.900 -0.062 0.000 1.154 176 Y CA 2.013 60.130 58.100 0.028 0.000 1.149 176 Y CB -0.237 38.253 38.460 0.050 0.000 0.976 176 Y HN -0.029 nan 8.280 nan 0.000 0.505 177 R N -0.245 120.085 120.500 -0.283 0.000 2.117 177 R HA -0.143 4.194 4.340 -0.005 0.000 0.243 177 R C 2.260 178.118 176.300 -0.736 0.000 1.143 177 R CA 1.687 57.373 56.100 -0.690 0.000 0.968 177 R CB -1.368 28.538 30.300 -0.656 0.000 0.863 177 R HN 0.396 nan 8.270 nan 0.000 0.444 178 V N 0.862 120.582 119.914 -0.323 0.000 2.488 178 V HA -0.125 3.991 4.120 -0.005 0.000 0.246 178 V C 2.464 178.352 176.094 -0.343 0.000 1.046 178 V CA 1.287 63.441 62.300 -0.242 0.000 1.053 178 V CB -0.498 31.126 31.823 -0.332 0.000 0.679 178 V HN 0.232 nan 8.190 nan 0.000 0.458 179 R N -0.055 120.286 120.500 -0.266 0.000 2.127 179 R HA -0.206 4.130 4.340 -0.005 0.000 0.238 179 R C 2.355 178.529 176.300 -0.209 0.000 1.134 179 R CA 1.758 57.761 56.100 -0.162 0.000 0.975 179 R CB -0.185 30.103 30.300 -0.021 0.000 0.865 179 R HN 0.595 nan 8.270 nan 0.000 0.447 180 E N -0.436 119.550 120.200 -0.357 0.000 2.285 180 E HA -0.085 4.262 4.350 -0.005 0.000 0.194 180 E C 1.654 178.115 176.600 -0.232 0.000 0.997 180 E CA 0.501 56.694 56.400 -0.345 0.000 0.845 180 E CB 0.178 29.528 29.700 -0.584 0.000 0.782 180 E HN 0.119 nan 8.360 nan 0.000 0.491 181 S N 0.229 115.800 115.700 -0.216 0.000 2.368 181 S HA -0.067 4.400 4.470 -0.005 0.000 0.224 181 S C 1.880 176.451 174.600 -0.049 0.000 1.029 181 S CA 0.764 58.929 58.200 -0.059 0.000 0.988 181 S CB -0.063 63.186 63.200 0.083 0.000 0.838 181 S HN 0.278 nan 8.310 nan 0.000 0.462 182 I N 0.665 121.186 120.570 -0.081 0.000 2.286 182 I HA -0.097 4.070 4.170 -0.005 0.000 0.245 182 I C 2.458 178.558 176.117 -0.030 0.000 1.104 182 I CA 0.827 62.103 61.300 -0.041 0.000 1.397 182 I CB -0.456 37.522 38.000 -0.036 0.000 1.072 182 I HN 0.222 nan 8.210 nan 0.000 0.417 183 S N 0.932 116.600 115.700 -0.053 0.000 2.356 183 S HA -0.115 4.351 4.470 -0.005 0.000 0.223 183 S C 1.898 176.479 174.600 -0.033 0.000 1.032 183 S CA 1.309 59.484 58.200 -0.042 0.000 1.005 183 S CB -0.228 62.938 63.200 -0.057 0.000 0.867 183 S HN 0.425 nan 8.310 nan 0.000 0.449 184 R N 1.101 121.575 120.500 -0.043 0.000 2.317 184 R HA 0.440 4.777 4.340 -0.005 0.000 0.208 184 R C 0.737 177.028 176.300 -0.014 0.000 0.914 184 R CA 0.444 56.527 56.100 -0.028 0.000 1.060 184 R CB -0.102 30.175 30.300 -0.037 0.000 1.015 184 R HN 0.292 nan 8.270 nan 0.000 0.498 185 A N 2.211 125.025 122.820 -0.010 0.000 2.462 185 A HA -0.254 4.063 4.320 -0.005 0.000 0.294 185 A C -0.457 177.133 177.584 0.010 0.000 1.461 185 A CA 1.151 53.191 52.037 0.005 0.000 0.765 185 A CB -1.386 17.619 19.000 0.009 0.000 1.071 185 A HN 0.518 nan 8.150 nan 0.000 0.401 186 E N -0.283 119.926 120.200 0.015 0.000 2.216 186 E HA 0.497 4.843 4.350 -0.005 0.000 0.260 186 E C 0.131 176.780 176.600 0.083 0.000 0.880 186 E CA -0.610 55.807 56.400 0.030 0.000 0.765 186 E CB 1.073 30.780 29.700 0.013 0.000 1.174 186 E HN 0.679 nan 8.360 nan 0.000 0.417 187 M N 3.042 122.685 119.600 0.070 0.000 2.245 187 M HA 0.289 4.766 4.480 -0.005 0.000 0.330 187 M C -0.245 176.145 176.300 0.149 0.000 1.098 187 M CA 0.185 55.531 55.300 0.078 0.000 1.172 187 M CB 0.108 32.698 32.600 -0.017 0.000 1.467 187 M HN 0.405 nan 8.290 nan 0.000 0.454 188 F N -1.158 118.758 119.950 -0.057 0.000 2.588 188 F HA 0.818 5.341 4.527 -0.006 0.000 0.310 188 F C -0.990 174.777 175.800 -0.054 0.000 1.082 188 F CA -1.482 56.484 58.000 -0.057 0.000 0.929 188 F CB 1.213 40.172 39.000 -0.069 0.000 1.254 188 F HN 0.328 nan 8.300 nan 0.000 0.455 189 R N 2.187 122.669 120.500 -0.030 0.000 2.410 189 R HA 0.549 4.886 4.340 -0.005 0.000 0.288 189 R C -2.734 173.578 176.300 0.021 0.000 1.051 189 R CA -2.313 53.727 56.100 -0.099 0.000 1.021 189 R CB 0.753 31.028 30.300 -0.041 0.000 1.032 189 R HN 0.422 nan 8.270 nan 0.000 0.481 190 P HA 0.002 nan 4.420 nan 0.000 0.264 190 P C -1.031 176.283 177.300 0.023 0.000 1.229 190 P CA 0.036 63.157 63.100 0.035 0.000 0.780 190 P CB 0.321 31.984 31.700 -0.062 0.000 0.808 191 D N 4.474 124.910 120.400 0.060 0.000 2.357 191 D HA 0.052 4.688 4.640 -0.005 0.000 0.242 191 D C -1.927 174.357 176.300 -0.027 0.000 1.153 191 D CA -1.748 52.259 54.000 0.011 0.000 0.918 191 D CB 0.533 41.343 40.800 0.017 0.000 1.181 191 D HN 0.104 nan 8.370 nan 0.000 0.435 192 P HA -0.099 nan 4.420 nan 0.000 0.223 192 P C 0.972 178.224 177.300 -0.080 0.000 1.144 192 P CA 1.715 64.779 63.100 -0.059 0.000 0.783 192 P CB 0.122 31.790 31.700 -0.054 0.000 0.771 193 A N -0.763 122.004 122.820 -0.088 0.000 1.855 193 A HA -0.133 4.184 4.320 -0.005 0.000 0.213 193 A C 2.216 179.702 177.584 -0.164 0.000 1.195 193 A CA 1.434 53.390 52.037 -0.136 0.000 0.610 193 A CB -1.379 17.532 19.000 -0.149 0.000 0.837 193 A HN 0.121 nan 8.150 nan 0.000 0.444 194 M N -0.323 119.209 119.600 -0.113 0.000 2.149 194 M HA -0.138 4.338 4.480 -0.005 0.000 0.261 194 M C 1.749 177.974 176.300 -0.125 0.000 1.064 194 M CA 1.653 56.890 55.300 -0.104 0.000 1.102 194 M CB -0.323 32.277 32.600 -0.000 0.000 1.369 194 M HN 0.406 nan 8.290 nan 0.000 0.408 195 L N -0.461 120.700 121.223 -0.104 0.000 2.093 195 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 195 L C 2.728 179.544 176.870 -0.090 0.000 1.085 195 L CA 1.366 56.142 54.840 -0.108 0.000 0.755 195 L CB -0.840 41.156 42.059 -0.105 0.000 0.904 195 L HN 0.461 nan 8.230 nan 0.000 0.435 196 S N 0.067 115.707 115.700 -0.100 0.000 2.387 196 S HA -0.100 4.367 4.470 -0.005 0.000 0.226 196 S C 1.969 176.509 174.600 -0.101 0.000 1.026 196 S CA 0.655 58.807 58.200 -0.080 0.000 0.972 196 S CB -0.691 62.455 63.200 -0.090 0.000 0.814 196 S HN 0.317 nan 8.310 nan 0.000 0.477 197 L N 1.625 122.699 121.223 -0.249 0.000 1.989 197 L HA -0.143 4.193 4.340 -0.005 0.000 0.211 197 L C 2.964 179.681 176.870 -0.255 0.000 1.071 197 L CA 1.973 56.500 54.840 -0.521 0.000 0.749 197 L CB -0.768 40.581 42.059 -1.183 0.000 0.890 197 L HN 0.400 nan 8.230 nan 0.000 0.431 198 E N 0.007 120.131 120.200 -0.127 0.000 2.051 198 E HA -0.206 4.141 4.350 -0.005 0.000 0.192 198 E C 1.962 178.721 176.600 0.264 0.000 0.991 198 E CA 1.299 57.795 56.400 0.160 0.000 0.799 198 E CB -0.298 29.482 29.700 0.133 0.000 0.748 198 E HN 0.479 nan 8.360 nan 0.000 0.449 199 N N 0.941 119.734 118.700 0.155 0.000 2.149 199 N HA -0.117 4.620 4.740 -0.005 0.000 0.188 199 N C 1.150 176.779 175.510 0.200 0.000 1.019 199 N CA 1.022 54.173 53.050 0.168 0.000 0.857 199 N CB 0.012 38.550 38.487 0.086 0.000 0.997 199 N HN 0.061 nan 8.380 nan 0.000 0.426 200 K N -0.593 119.924 120.400 0.195 0.000 2.437 200 K HA 0.031 4.348 4.320 -0.005 0.000 0.205 200 K C 1.071 177.864 176.600 0.320 0.000 1.026 200 K CA -0.411 55.994 56.287 0.196 0.000 1.153 200 K CB -0.114 32.462 32.500 0.125 0.000 0.863 200 K HN 0.264 nan 8.250 nan 0.000 0.502 201 W N 1.983 123.443 121.300 0.266 0.000 2.354 201 W HA -0.183 4.474 4.660 -0.006 0.000 0.315 201 W C 2.244 178.863 176.519 0.166 0.000 1.206 201 W CA 1.751 59.302 57.345 0.343 0.000 1.290 201 W CB -0.433 29.256 29.460 0.381 0.000 1.152 201 W HN 0.059 nan 8.180 nan 0.000 0.489 202 S N 0.076 115.833 115.700 0.095 0.000 2.353 202 S HA -0.232 4.235 4.470 -0.005 0.000 0.222 202 S C 2.067 176.571 174.600 -0.160 0.000 1.035 202 S CA 2.237 60.342 58.200 -0.159 0.000 1.025 202 S CB -1.020 62.196 63.200 0.027 0.000 0.902 202 S HN 0.359 nan 8.310 nan 0.000 0.440 203 A N 1.179 123.971 122.820 -0.047 0.000 1.908 203 A HA -0.026 4.291 4.320 -0.005 0.000 0.218 203 A C 2.203 179.697 177.584 -0.150 0.000 1.181 203 A CA 1.517 53.507 52.037 -0.080 0.000 0.627 203 A CB -0.822 18.168 19.000 -0.016 0.000 0.818 203 A HN 0.568 nan 8.150 nan 0.000 0.445 204 L N -0.380 120.794 121.223 -0.082 0.000 2.046 204 L HA -0.178 4.158 4.340 -0.005 0.000 0.208 204 L C 2.877 179.628 176.870 -0.198 0.000 1.077 204 L CA 1.506 56.296 54.840 -0.082 0.000 0.747 204 L CB -0.385 41.747 42.059 0.123 0.000 0.896 204 L HN 0.359 nan 8.230 nan 0.000 0.432 205 S N -0.208 115.325 115.700 -0.278 0.000 2.355 205 S HA -0.190 4.276 4.470 -0.005 0.000 0.222 205 S C 1.705 176.125 174.600 -0.300 0.000 1.031 205 S CA 1.629 59.634 58.200 -0.325 0.000 0.993 205 S CB -0.432 62.468 63.200 -0.500 0.000 0.859 205 S HN 0.430 nan 8.310 nan 0.000 0.453 206 N N 1.876 120.397 118.700 -0.298 0.000 2.069 206 N HA -0.075 4.662 4.740 -0.005 0.000 0.191 206 N C 1.673 176.988 175.510 -0.324 0.000 1.031 206 N CA 1.603 54.490 53.050 -0.272 0.000 0.852 206 N CB -0.525 37.834 38.487 -0.215 0.000 1.018 206 N HN 0.332 nan 8.380 nan 0.000 0.423 207 A N 0.012 122.551 122.820 -0.467 0.000 1.865 207 A HA -0.099 4.217 4.320 -0.005 0.000 0.217 207 A C 2.486 179.608 177.584 -0.770 0.000 1.191 207 A CA 1.817 53.353 52.037 -0.835 0.000 0.623 207 A CB -1.084 17.021 19.000 -1.492 0.000 0.826 207 A HN 0.183 nan 8.150 nan 0.000 0.444 208 V N -0.232 119.369 119.914 -0.521 0.000 2.255 208 V HA -0.346 3.771 4.120 -0.005 0.000 0.247 208 V C 2.723 178.724 176.094 -0.154 0.000 1.051 208 V CA 2.468 64.667 62.300 -0.169 0.000 1.018 208 V CB -0.914 30.889 31.823 -0.033 0.000 0.641 208 V HN 0.662 nan 8.190 nan 0.000 0.445 209 Q N -0.598 119.121 119.800 -0.135 0.000 2.050 209 Q HA -0.192 4.144 4.340 -0.005 0.000 0.202 209 Q C 2.080 178.053 176.000 -0.044 0.000 0.980 209 Q CA 1.429 57.191 55.803 -0.067 0.000 0.840 209 Q CB -0.134 28.496 28.738 -0.179 0.000 0.898 209 Q HN 0.635 nan 8.270 nan 0.000 0.424 210 Q N 0.759 120.492 119.800 -0.112 0.000 2.373 210 Q HA 0.045 4.381 4.340 -0.005 0.000 0.206 210 Q C 0.166 176.148 176.000 -0.030 0.000 0.942 210 Q CA 0.045 55.805 55.803 -0.072 0.000 0.953 210 Q CB 0.300 28.977 28.738 -0.102 0.000 1.022 210 Q HN 0.252 nan 8.270 nan 0.000 0.502 211 S N 1.414 117.102 115.700 -0.021 0.000 2.614 211 S HA 0.195 4.661 4.470 -0.005 0.000 0.265 211 S C 0.327 174.986 174.600 0.099 0.000 1.303 211 S CA -0.924 57.294 58.200 0.030 0.000 1.000 211 S CB 0.765 63.951 63.200 -0.024 0.000 0.935 211 S HN 0.337 nan 8.310 nan 0.000 0.551 212 N N 0.274 119.034 118.700 0.100 0.000 2.317 212 N HA 0.083 4.820 4.740 -0.005 0.000 0.245 212 N C -0.361 175.278 175.510 0.215 0.000 1.294 212 N CA -0.447 52.681 53.050 0.129 0.000 0.924 212 N CB -0.121 38.424 38.487 0.097 0.000 1.186 212 N HN 0.654 nan 8.380 nan 0.000 0.495 213 Q N -0.812 119.101 119.800 0.189 0.000 2.286 213 Q HA 0.403 4.739 4.340 -0.005 0.000 0.265 213 Q C 0.614 176.742 176.000 0.213 0.000 1.080 213 Q CA 1.067 56.997 55.803 0.212 0.000 0.906 213 Q CB -0.485 28.334 28.738 0.136 0.000 1.227 213 Q HN 0.917 nan 8.270 nan 0.000 0.409 214 G N 2.359 111.310 108.800 0.251 0.000 2.624 214 G HA2 -0.043 3.914 3.960 -0.005 0.000 0.190 214 G HA3 -0.043 3.914 3.960 -0.005 0.000 0.190 214 G C 0.631 175.533 174.900 0.004 0.000 1.008 214 G CA 0.079 45.249 45.100 0.118 0.000 0.731 214 G HN 1.547 nan 8.290 nan 0.000 0.478 215 G N -1.034 107.780 108.800 0.023 0.000 2.141 215 G HA2 0.012 3.969 3.960 -0.005 0.000 0.242 215 G HA3 0.012 3.969 3.960 -0.005 0.000 0.242 215 G C 0.341 175.138 174.900 -0.171 0.000 0.982 215 G CA 0.548 45.535 45.100 -0.187 0.000 0.662 215 G HN 1.563 nan 8.290 nan 0.000 0.527 216 V N 2.169 122.008 119.914 -0.125 0.000 2.508 216 V HA 0.523 4.640 4.120 -0.005 0.000 0.281 216 V C 0.857 177.004 176.094 0.090 0.000 1.041 216 V CA -0.605 61.628 62.300 -0.113 0.000 1.016 216 V CB 0.472 32.236 31.823 -0.098 0.000 0.984 216 V HN 0.170 nan 8.190 nan 0.000 0.478 217 F N 2.947 122.855 119.950 -0.069 0.000 2.382 217 F HA 0.244 4.768 4.527 -0.006 0.000 0.331 217 F C 1.697 177.480 175.800 -0.027 0.000 1.121 217 F CA -0.597 57.371 58.000 -0.054 0.000 1.183 217 F CB 1.191 40.168 39.000 -0.038 0.000 1.207 217 F HN 0.624 nan 8.300 nan 0.000 0.555 218 S N -0.384 115.413 115.700 0.162 0.000 2.414 218 S HA 0.065 4.531 4.470 -0.005 0.000 0.227 218 S C 0.442 175.094 174.600 0.087 0.000 1.022 218 S CA 0.299 58.554 58.200 0.091 0.000 0.958 218 S CB -0.146 63.080 63.200 0.043 0.000 0.797 218 S HN 0.377 nan 8.310 nan 0.000 0.493 219 S N 2.889 118.648 115.700 0.099 0.000 2.538 219 S HA 0.618 5.085 4.470 -0.005 0.000 0.288 219 S C -2.930 171.777 174.600 0.179 0.000 1.108 219 S CA -1.256 56.999 58.200 0.091 0.000 0.971 219 S CB 1.953 65.175 63.200 0.037 0.000 1.041 219 S HN 0.265 nan 8.310 nan 0.000 0.483 220 P HA 0.210 nan 4.420 nan 0.000 0.269 220 P C -0.934 176.504 177.300 0.230 0.000 1.215 220 P CA -0.316 62.945 63.100 0.268 0.000 0.780 220 P CB 0.448 32.254 31.700 0.177 0.000 0.898 221 V N 2.160 122.241 119.914 0.279 0.000 2.435 221 V HA 0.203 4.320 4.120 -0.005 0.000 0.290 221 V C 0.561 176.773 176.094 0.196 0.000 1.030 221 V CA -0.486 61.921 62.300 0.178 0.000 0.881 221 V CB 1.176 33.086 31.823 0.144 0.000 0.983 221 V HN 0.582 nan 8.190 nan 0.000 0.445 222 E N 5.202 125.496 120.200 0.156 0.000 2.081 222 E HA 0.479 4.826 4.350 -0.005 0.000 0.281 222 E C -0.936 175.653 176.600 -0.018 0.000 0.986 222 E CA -0.363 56.089 56.400 0.087 0.000 0.796 222 E CB 0.767 30.558 29.700 0.151 0.000 1.085 222 E HN 0.569 nan 8.360 nan 0.000 0.398 223 L N 3.171 124.340 121.223 -0.090 0.000 2.635 223 L HA 0.611 4.947 4.340 -0.005 0.000 0.250 223 L C 0.610 177.390 176.870 -0.150 0.000 1.117 223 L CA -1.181 53.597 54.840 -0.103 0.000 0.834 223 L CB 0.808 42.802 42.059 -0.107 0.000 1.544 223 L HN 0.424 nan 8.230 nan 0.000 0.511 224 R N -0.459 119.961 120.500 -0.134 0.000 2.867 224 R HA 0.514 4.850 4.340 -0.005 0.000 0.268 224 R C -0.963 175.272 176.300 -0.109 0.000 1.014 224 R CA -0.597 55.430 56.100 -0.120 0.000 0.946 224 R CB 2.156 32.397 30.300 -0.098 0.000 1.208 224 R HN 0.800 nan 8.270 nan 0.000 0.477 225 S N 0.214 115.866 115.700 -0.080 0.000 2.718 225 S HA 0.511 4.977 4.470 -0.005 0.000 0.300 225 S C 0.337 174.895 174.600 -0.070 0.000 1.117 225 S CA -0.860 57.303 58.200 -0.063 0.000 1.002 225 S CB 1.096 64.271 63.200 -0.042 0.000 1.092 225 S HN 0.604 nan 8.310 nan 0.000 0.542 226 I N 2.538 123.069 120.570 -0.065 0.000 2.471 226 I HA 0.384 4.550 4.170 -0.005 0.000 0.286 226 I C -0.106 175.979 176.117 -0.052 0.000 1.079 226 I CA 1.022 62.291 61.300 -0.051 0.000 1.398 226 I CB -0.099 37.880 38.000 -0.035 0.000 1.403 226 I HN 1.339 nan 8.210 nan 0.000 0.530 227 S N 3.963 119.636 115.700 -0.045 0.000 3.218 227 S HA -0.190 4.277 4.470 -0.005 0.000 0.840 227 S C -0.124 174.447 174.600 -0.048 0.000 1.043 227 S CA 0.115 58.289 58.200 -0.045 0.000 1.212 227 S CB -0.735 62.435 63.200 -0.051 0.000 0.842 227 S HN 0.932 nan 8.310 nan 0.000 0.264 228 N N 1.273 119.947 118.700 -0.043 0.000 2.346 228 N HA 0.210 4.947 4.740 -0.005 0.000 0.225 228 N C -0.176 175.303 175.510 -0.052 0.000 1.144 228 N CA -0.143 52.879 53.050 -0.046 0.000 0.837 228 N CB -0.089 38.376 38.487 -0.036 0.000 1.069 228 N HN 0.550 nan 8.380 nan 0.000 0.487 229 K N 1.194 121.560 120.400 -0.056 0.000 2.412 229 K HA 0.156 4.473 4.320 -0.005 0.000 0.281 229 K C -2.417 174.126 176.600 -0.095 0.000 1.027 229 K CA -1.409 54.843 56.287 -0.058 0.000 0.989 229 K CB 0.357 32.826 32.500 -0.052 0.000 0.935 229 K HN 0.115 nan 8.250 nan 0.000 0.475 230 P HA 0.029 nan 4.420 nan 0.000 0.271 230 P C -0.875 176.169 177.300 -0.427 0.000 1.220 230 P CA -0.234 62.672 63.100 -0.325 0.000 0.768 230 P CB 0.654 32.131 31.700 -0.372 0.000 0.848 231 V N 5.362 125.005 119.914 -0.452 0.000 2.378 231 V HA 0.268 4.385 4.120 -0.005 0.000 0.288 231 V C -0.643 175.216 176.094 -0.392 0.000 1.016 231 V CA -0.533 61.583 62.300 -0.306 0.000 0.840 231 V CB 0.395 32.147 31.823 -0.120 0.000 0.994 231 V HN 0.370 nan 8.190 nan 0.000 0.431 232 Y N 3.528 123.833 120.300 0.008 0.000 2.341 232 Y HA 0.562 5.108 4.550 -0.007 0.000 0.340 232 Y C 0.200 176.087 175.900 -0.021 0.000 0.997 232 Y CA -0.855 57.252 58.100 0.011 0.000 1.149 232 Y CB 1.665 40.140 38.460 0.025 0.000 1.171 232 Y HN 0.362 nan 8.280 nan 0.000 0.494 233 V N 2.871 122.879 119.914 0.156 0.000 2.357 233 V HA 0.478 4.595 4.120 -0.005 0.000 0.284 233 V C 0.633 176.741 176.094 0.022 0.000 1.018 233 V CA -0.339 61.997 62.300 0.060 0.000 0.841 233 V CB 1.311 33.215 31.823 0.135 0.000 0.991 233 V HN 1.043 nan 8.190 nan 0.000 0.437 234 G N 2.938 111.570 108.800 -0.279 0.000 3.228 234 G HA2 0.463 4.420 3.960 -0.005 0.000 0.245 234 G HA3 0.463 4.420 3.960 -0.005 0.000 0.245 234 G C 0.217 174.510 174.900 -1.013 0.000 1.051 234 G CA 0.657 45.502 45.100 -0.424 0.000 0.809 234 G HN 0.875 nan 8.290 nan 0.000 0.531 235 S N -1.761 113.091 115.700 -1.414 0.000 2.595 235 S HA 0.238 4.705 4.470 -0.005 0.000 0.270 235 S C 0.912 175.105 174.600 -0.679 0.000 1.145 235 S CA 0.072 57.604 58.200 -1.113 0.000 0.825 235 S CB 1.099 64.006 63.200 -0.489 0.000 1.107 235 S HN 0.804 nan 8.310 nan 0.000 0.461 236 V N -0.043 119.701 119.914 -0.283 0.000 2.568 236 V HA -0.050 4.066 4.120 -0.005 0.000 0.253 236 V C 1.768 177.841 176.094 -0.035 0.000 1.072 236 V CA 2.167 64.439 62.300 -0.047 0.000 1.084 236 V CB -1.597 30.223 31.823 -0.005 0.000 0.676 236 V HN 0.875 nan 8.190 nan 0.000 0.469 237 S N -0.382 115.273 115.700 -0.075 0.000 2.522 237 S HA 0.050 4.517 4.470 -0.005 0.000 0.227 237 S C 0.469 175.073 174.600 0.007 0.000 0.986 237 S CA 0.189 58.391 58.200 0.003 0.000 0.929 237 S CB -0.581 62.630 63.200 0.017 0.000 0.769 237 S HN 0.652 nan 8.310 nan 0.000 0.529 238 D N 2.176 122.532 120.400 -0.073 0.000 2.488 238 D HA 0.067 4.703 4.640 -0.005 0.000 0.238 238 D C 1.265 177.543 176.300 -0.036 0.000 1.138 238 D CA 0.037 53.991 54.000 -0.077 0.000 0.873 238 D CB 0.535 41.242 40.800 -0.155 0.000 1.183 238 D HN 0.106 nan 8.370 nan 0.000 0.458 239 R N 2.182 122.653 120.500 -0.048 0.000 2.115 239 R HA -0.063 4.273 4.340 -0.005 0.000 0.230 239 R C 1.867 178.112 176.300 -0.091 0.000 1.111 239 R CA 0.352 56.423 56.100 -0.048 0.000 0.976 239 R CB -0.662 29.571 30.300 -0.112 0.000 0.870 239 R HN 0.288 nan 8.270 nan 0.000 0.445 240 V N 2.221 122.041 119.914 -0.157 0.000 2.469 240 V HA -0.215 3.902 4.120 -0.005 0.000 0.251 240 V C 2.382 178.614 176.094 0.229 0.000 1.064 240 V CA 1.363 63.656 62.300 -0.012 0.000 1.066 240 V CB -0.413 31.199 31.823 -0.353 0.000 0.667 240 V HN 0.221 nan 8.190 nan 0.000 0.461 241 I N 1.059 121.703 120.570 0.123 0.000 2.530 241 I HA -0.198 3.969 4.170 -0.005 0.000 0.257 241 I C 2.582 178.798 176.117 0.165 0.000 1.179 241 I CA 2.052 63.457 61.300 0.176 0.000 1.440 241 I CB -1.281 36.791 38.000 0.120 0.000 1.087 241 I HN 0.570 nan 8.210 nan 0.000 0.440 242 S N 0.418 116.195 115.700 0.128 0.000 2.447 242 S HA -0.057 4.410 4.470 -0.005 0.000 0.233 242 S C 1.978 176.560 174.600 -0.029 0.000 1.006 242 S CA 0.903 59.155 58.200 0.087 0.000 0.957 242 S CB -0.784 62.500 63.200 0.140 0.000 0.773 242 S HN 0.465 nan 8.310 nan 0.000 0.507 243 G N 0.587 109.299 108.800 -0.148 0.000 2.813 243 G HA2 0.238 4.194 3.960 -0.005 0.000 0.209 243 G HA3 0.238 4.194 3.960 -0.005 0.000 0.209 243 G C 0.287 175.105 174.900 -0.137 0.000 1.150 243 G CA -0.255 44.468 45.100 -0.628 0.000 0.785 243 G HN 0.499 nan 8.290 nan 0.000 0.535 244 L N 1.967 123.256 121.223 0.110 0.000 2.385 244 L HA 0.637 4.974 4.340 -0.005 0.000 0.285 244 L C 1.471 178.335 176.870 -0.011 0.000 1.125 244 L CA -0.370 54.531 54.840 0.102 0.000 0.890 244 L CB 0.569 42.744 42.059 0.194 0.000 1.251 244 L HN 0.010 nan 8.230 nan 0.000 0.445 245 A N 5.610 128.378 122.820 -0.087 0.000 1.897 245 A HA 0.139 4.456 4.320 -0.005 0.000 0.215 245 A C 0.887 178.454 177.584 -0.028 0.000 1.181 245 A CA 1.207 53.206 52.037 -0.063 0.000 0.620 245 A CB -0.143 18.803 19.000 -0.090 0.000 0.821 245 A HN 0.661 nan 8.150 nan 0.000 0.443 246 I N -1.010 119.553 120.570 -0.013 0.000 2.680 246 I HA 0.450 4.617 4.170 -0.005 0.000 0.291 246 I C -1.239 175.010 176.117 0.220 0.000 1.244 246 I CA -0.745 60.596 61.300 0.068 0.000 1.042 246 I CB 1.749 39.775 38.000 0.044 0.000 1.277 246 I HN 0.215 nan 8.210 nan 0.000 0.423 247 M N 6.733 126.402 119.600 0.115 0.000 2.478 247 M HA 0.413 4.890 4.480 -0.005 0.000 0.327 247 M C -0.574 175.674 176.300 -0.087 0.000 1.187 247 M CA -0.941 54.328 55.300 -0.051 0.000 1.022 247 M CB 1.753 34.275 32.600 -0.130 0.000 1.629 247 M HN 0.427 nan 8.290 nan 0.000 0.461 248 L N 1.778 122.671 121.223 -0.550 0.000 2.483 248 L HA 0.143 4.480 4.340 -0.005 0.000 0.276 248 L C -0.687 176.072 176.870 -0.184 0.000 1.213 248 L CA 0.233 54.829 54.840 -0.406 0.000 0.843 248 L CB 0.362 41.965 42.059 -0.761 0.000 1.107 248 L HN 0.614 nan 8.230 nan 0.000 0.487 249 F N 4.770 124.630 119.950 -0.149 0.000 2.506 249 F HA 0.093 4.617 4.527 -0.005 0.000 0.371 249 F C 0.806 176.532 175.800 -0.124 0.000 1.078 249 F CA -0.073 57.859 58.000 -0.114 0.000 1.195 249 F CB 0.478 39.431 39.000 -0.079 0.000 1.099 249 F HN 0.332 nan 8.300 nan 0.000 0.548 250 I N 4.900 124.945 120.570 -0.874 0.000 3.366 250 I HA 0.124 4.291 4.170 -0.005 0.000 0.267 250 I C 0.478 176.144 176.117 -0.753 0.000 1.149 250 I CA 0.740 61.684 61.300 -0.593 0.000 1.436 250 I CB -0.467 37.297 38.000 -0.394 0.000 1.379 250 I HN 0.718 nan 8.210 nan 0.000 0.460 251 c N -0.285 117.662 118.600 -1.088 0.000 3.231 251 c HA 0.600 5.167 4.570 -0.005 0.000 0.343 251 c C -0.434 173.399 174.090 -0.429 0.000 1.349 251 c CA -1.302 54.660 56.329 -0.612 0.000 1.209 251 c CB 1.854 44.217 42.510 -0.245 0.000 1.475 251 c HN 0.254 nan 8.230 nan 0.000 0.460 252 R N 1.192 121.664 120.500 -0.047 0.000 2.312 252 R HA 0.607 4.944 4.340 -0.005 0.000 0.311 252 R C 0.452 176.749 176.300 -0.005 0.000 1.004 252 R CA 0.221 56.337 56.100 0.028 0.000 0.902 252 R CB 1.698 32.069 30.300 0.120 0.000 1.073 252 R HN 0.930 nan 8.270 nan 0.000 0.457 253 S N 1.622 117.314 115.700 -0.013 0.000 2.573 253 S HA 0.067 4.534 4.470 -0.005 0.000 0.277 253 S C 0.134 174.735 174.600 0.001 0.000 1.346 253 S CA -0.062 58.134 58.200 -0.007 0.000 1.034 253 S CB 0.672 63.856 63.200 -0.027 0.000 0.879 253 S HN 0.537 nan 8.310 nan 0.000 0.528 286 D N -0.074 120.335 120.400 0.015 0.000 2.613 286 D HA 0.141 4.778 4.640 -0.005 0.000 0.230 286 D C -1.447 174.861 176.300 0.014 0.000 1.365 286 D CA -0.428 53.582 54.000 0.016 0.000 0.976 286 D CB 1.013 41.830 40.800 0.029 0.000 1.415 286 D HN 0.146 nan 8.370 nan 0.000 0.589 287 D N 3.089 123.492 120.400 0.005 0.000 2.619 287 D HA -0.030 4.606 4.640 -0.005 0.000 0.238 287 D C 1.591 177.890 176.300 -0.001 0.000 1.158 287 D CA 1.291 55.292 54.000 0.002 0.000 1.251 287 D CB -0.117 40.681 40.800 -0.003 0.000 1.134 287 D HN 0.537 nan 8.370 nan 0.000 0.487 288 T N -0.251 114.310 114.554 0.013 0.000 2.590 288 T HA -0.390 3.956 4.350 -0.005 0.000 0.209 288 T C 0.824 175.516 174.700 -0.013 0.000 1.419 288 T CA 1.636 63.746 62.100 0.017 0.000 1.020 288 T CB -1.028 67.855 68.868 0.025 0.000 0.781 288 T HN 0.477 nan 8.240 nan 0.000 0.493 289 c N 1.199 119.790 118.600 -0.015 0.000 3.218 289 c HA 0.713 5.280 4.570 -0.005 0.000 0.420 289 c C 0.344 174.427 174.090 -0.011 0.000 0.987 289 c CA -1.245 55.065 56.329 -0.032 0.000 1.196 289 c CB 0.794 43.281 42.510 -0.039 0.000 1.576 289 c HN 1.061 nan 8.230 nan 0.000 0.594 290 A N 1.951 124.762 122.820 -0.015 0.000 2.520 290 A HA 0.418 4.735 4.320 -0.005 0.000 0.235 290 A C -0.107 177.487 177.584 0.017 0.000 1.065 290 A CA 0.635 52.672 52.037 -0.000 0.000 0.764 290 A CB 0.136 19.132 19.000 -0.007 0.000 1.002 290 A HN 0.827 nan 8.150 nan 0.000 0.502 291 D N 2.027 122.443 120.400 0.028 0.000 2.462 291 D HA 0.482 5.119 4.640 -0.005 0.000 0.249 291 D C -2.248 174.079 176.300 0.045 0.000 1.117 291 D CA -1.435 52.592 54.000 0.045 0.000 0.900 291 D CB 0.937 41.766 40.800 0.049 0.000 1.039 291 D HN 0.329 nan 8.370 nan 0.000 0.516 292 P HA 0.349 nan 4.420 nan 0.000 0.279 292 P C -0.806 176.529 177.300 0.057 0.000 1.276 292 P CA -0.473 62.654 63.100 0.045 0.000 0.801 292 P CB 1.033 32.758 31.700 0.041 0.000 1.127 293 E N 0.756 120.989 120.200 0.055 0.000 2.683 293 E HA 0.302 4.648 4.350 -0.005 0.000 0.224 293 E C -2.223 174.417 176.600 0.065 0.000 1.046 293 E CA -1.692 54.748 56.400 0.066 0.000 0.811 293 E CB 0.662 30.400 29.700 0.063 0.000 1.296 293 E HN 0.375 nan 8.360 nan 0.000 0.421 294 P HA 0.113 nan 4.420 nan 0.000 0.278 294 P C -0.566 176.785 177.300 0.084 0.000 1.238 294 P CA -0.466 62.677 63.100 0.071 0.000 0.794 294 P CB 1.026 32.770 31.700 0.073 0.000 0.955 295 T N 1.876 116.472 114.554 0.071 0.000 2.733 295 T HA 0.472 4.819 4.350 -0.005 0.000 0.294 295 T C 0.198 174.949 174.700 0.086 0.000 0.956 295 T CA -0.347 61.800 62.100 0.078 0.000 0.987 295 T CB 0.166 69.057 68.868 0.039 0.000 0.920 295 T HN 0.330 nan 8.240 nan 0.000 0.470 296 V N 1.352 121.346 119.914 0.134 0.000 3.130 296 V HA 0.680 4.796 4.120 -0.005 0.000 0.310 296 V C -0.248 175.973 176.094 0.211 0.000 1.158 296 V CA -1.720 60.663 62.300 0.139 0.000 1.029 296 V CB 1.809 33.708 31.823 0.125 0.000 1.057 296 V HN 0.678 nan 8.190 nan 0.000 0.436 297 R N 0.975 121.588 120.500 0.188 0.000 2.615 297 R HA 0.644 4.980 4.340 -0.005 0.000 0.270 297 R C -0.905 175.553 176.300 0.264 0.000 1.081 297 R CA -0.388 55.860 56.100 0.246 0.000 1.154 297 R CB 0.902 31.312 30.300 0.183 0.000 1.063 297 R HN 0.696 nan 8.270 nan 0.000 0.519 298 I N 1.481 122.212 120.570 0.269 0.000 2.411 298 I HA 0.133 4.299 4.170 -0.005 0.000 0.284 298 I C -0.140 176.139 176.117 0.271 0.000 1.012 298 I CA -0.417 61.007 61.300 0.205 0.000 1.119 298 I CB 1.778 39.729 38.000 -0.082 0.000 1.261 298 I HN 0.635 nan 8.210 nan 0.000 0.448 299 S N 3.886 119.777 115.700 0.319 0.000 2.549 299 S HA 0.957 5.423 4.470 -0.005 0.000 0.297 299 S C -0.058 174.745 174.600 0.337 0.000 1.115 299 S CA -0.501 57.883 58.200 0.306 0.000 1.059 299 S CB 2.557 65.873 63.200 0.194 0.000 1.046 299 S HN 0.801 nan 8.310 nan 0.000 0.506 300 G N 1.022 109.916 108.800 0.156 0.000 2.894 300 G HA2 0.465 4.421 3.960 -0.005 0.000 0.164 300 G HA3 0.465 4.421 3.960 -0.005 0.000 0.164 300 G C -0.763 173.990 174.900 -0.245 0.000 1.180 300 G CA -1.141 43.788 45.100 -0.285 0.000 0.997 300 G HN 0.842 nan 8.290 nan 0.000 0.572 301 R N 0.870 121.085 120.500 -0.475 0.000 3.411 301 R HA -0.121 4.216 4.340 -0.005 0.000 0.241 301 R C 0.294 176.564 176.300 -0.050 0.000 0.689 301 R CA 1.455 57.413 56.100 -0.236 0.000 1.022 301 R CB -0.693 29.460 30.300 -0.245 0.000 0.958 301 R HN 0.540 nan 8.270 nan 0.000 0.361 302 N N 2.473 121.176 118.700 0.005 0.000 2.800 302 N HA -0.195 4.542 4.740 -0.005 0.000 0.250 302 N C 0.700 176.389 175.510 0.298 0.000 1.078 302 N CA 1.766 54.851 53.050 0.059 0.000 0.804 302 N CB -1.498 36.986 38.487 -0.004 0.000 1.135 302 N HN 0.990 nan 8.380 nan 0.000 0.565 303 G N -1.286 107.716 108.800 0.337 0.000 2.179 303 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.260 303 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.260 303 G C 0.156 175.138 174.900 0.136 0.000 0.977 303 G CA 0.601 45.831 45.100 0.217 0.000 0.641 303 G HN 0.443 nan 8.290 nan 0.000 0.533 304 L N -0.402 120.898 121.223 0.127 0.000 2.472 304 L HA 0.501 4.838 4.340 -0.005 0.000 0.260 304 L C 0.954 177.946 176.870 0.204 0.000 1.209 304 L CA -0.687 54.233 54.840 0.133 0.000 0.817 304 L CB 0.851 42.977 42.059 0.111 0.000 1.106 304 L HN 0.223 nan 8.230 nan 0.000 0.479 305 c N 0.834 119.580 118.600 0.243 0.000 2.382 305 c HA 0.340 4.907 4.570 -0.005 0.000 0.327 305 c C 0.270 174.541 174.090 0.302 0.000 1.250 305 c CA -0.883 55.617 56.329 0.285 0.000 1.707 305 c CB 1.392 44.063 42.510 0.269 0.000 2.272 305 c HN 0.427 nan 8.230 nan 0.000 0.506 306 V N 5.280 125.343 119.914 0.247 0.000 2.486 306 V HA 0.077 4.194 4.120 -0.005 0.000 0.290 306 V C 0.601 176.877 176.094 0.303 0.000 0.991 306 V CA 0.920 63.276 62.300 0.093 0.000 1.142 306 V CB -0.638 30.983 31.823 -0.336 0.000 0.926 306 V HN 0.774 nan 8.190 nan 0.000 0.472 307 R N 4.148 124.801 120.500 0.255 0.000 2.575 307 R HA 0.517 4.854 4.340 -0.005 0.000 0.293 307 R C -1.310 175.067 176.300 0.128 0.000 0.983 307 R CA -0.755 55.480 56.100 0.225 0.000 0.887 307 R CB 2.080 32.470 30.300 0.150 0.000 1.184 307 R HN 0.463 nan 8.270 nan 0.000 0.445 308 V N 5.510 125.460 119.914 0.061 0.000 2.397 308 V HA 0.133 4.250 4.120 -0.005 0.000 0.262 308 V C 0.959 176.932 176.094 -0.203 0.000 1.047 308 V CA -0.131 62.102 62.300 -0.111 0.000 1.003 308 V CB 0.355 31.944 31.823 -0.390 0.000 1.037 308 V HN 0.692 nan 8.190 nan 0.000 0.480 309 R N 4.678 125.084 120.500 -0.157 0.000 2.537 309 R HA -0.059 4.278 4.340 -0.005 0.000 0.281 309 R C 0.459 176.626 176.300 -0.221 0.000 0.988 309 R CA 0.367 56.358 56.100 -0.181 0.000 1.077 309 R CB -0.083 30.153 30.300 -0.107 0.000 0.932 309 R HN 0.869 nan 8.270 nan 0.000 0.409 310 D N 2.850 123.078 120.400 -0.286 0.000 3.018 310 D HA -0.213 4.424 4.640 -0.005 0.000 0.224 310 D C 0.764 176.956 176.300 -0.181 0.000 1.185 310 D CA 1.748 55.603 54.000 -0.242 0.000 0.858 310 D CB -1.355 39.349 40.800 -0.159 0.000 1.112 310 D HN 0.995 nan 8.370 nan 0.000 0.415 311 G N -0.394 108.288 108.800 -0.196 0.000 2.179 311 G HA2 -0.388 3.568 3.960 -0.005 0.000 0.257 311 G HA3 -0.388 3.568 3.960 -0.005 0.000 0.257 311 G C 0.161 175.033 174.900 -0.046 0.000 1.010 311 G CA 0.847 45.887 45.100 -0.099 0.000 0.736 311 G HN 0.489 nan 8.290 nan 0.000 0.513 312 K N -0.914 119.382 120.400 -0.174 0.000 2.159 312 K HA 0.537 4.854 4.320 -0.005 0.000 0.266 312 K C -0.091 176.363 176.600 -0.245 0.000 0.975 312 K CA -0.773 55.459 56.287 -0.092 0.000 0.865 312 K CB 0.984 33.441 32.500 -0.073 0.000 1.087 312 K HN 0.209 nan 8.250 nan 0.000 0.446 313 Y N 1.041 121.318 120.300 -0.038 0.000 2.660 313 Y HA 0.007 4.554 4.550 -0.006 0.000 0.254 313 Y C 0.623 176.507 175.900 -0.027 0.000 1.176 313 Y CA -0.869 57.211 58.100 -0.032 0.000 1.195 313 Y CB 0.349 38.777 38.460 -0.054 0.000 1.190 313 Y HN 0.588 nan 8.280 nan 0.000 0.535 314 N N 0.509 119.246 118.700 0.062 0.000 2.454 314 N HA -0.093 4.644 4.740 -0.005 0.000 0.254 314 N C -0.588 174.942 175.510 0.033 0.000 1.228 314 N CA 0.026 53.095 53.050 0.031 0.000 0.900 314 N CB 0.545 39.044 38.487 0.020 0.000 1.089 314 N HN 0.106 nan 8.380 nan 0.000 0.449 315 N N 0.605 119.307 118.700 0.005 0.000 2.365 315 N HA 0.139 4.876 4.740 -0.005 0.000 0.265 315 N C 1.377 177.005 175.510 0.196 0.000 1.288 315 N CA 1.492 54.569 53.050 0.045 0.000 0.869 315 N CB 0.079 38.478 38.487 -0.146 0.000 1.071 315 N HN 0.862 nan 8.380 nan 0.000 0.480 316 G N 1.584 110.555 108.800 0.285 0.000 2.195 316 G HA2 -0.283 3.674 3.960 -0.005 0.000 0.224 316 G HA3 -0.283 3.674 3.960 -0.005 0.000 0.224 316 G C 0.259 175.305 174.900 0.244 0.000 0.990 316 G CA -0.089 45.169 45.100 0.263 0.000 0.639 316 G HN 0.722 nan 8.290 nan 0.000 0.514 317 N N 2.283 121.072 118.700 0.148 0.000 2.468 317 N HA 0.448 5.184 4.740 -0.005 0.000 0.265 317 N C -1.980 173.598 175.510 0.114 0.000 1.199 317 N CA -0.900 52.198 53.050 0.080 0.000 0.928 317 N CB 0.774 39.256 38.487 -0.008 0.000 1.059 317 N HN 0.192 nan 8.380 nan 0.000 0.467 318 P HA 0.033 nan 4.420 nan 0.000 0.268 318 P C -0.599 176.746 177.300 0.075 0.000 1.208 318 P CA 0.153 63.345 63.100 0.154 0.000 0.777 318 P CB 0.470 32.200 31.700 0.049 0.000 0.875 319 I N 2.354 122.976 120.570 0.087 0.000 2.354 319 I HA 0.311 4.478 4.170 -0.005 0.000 0.292 319 I C 0.659 176.803 176.117 0.045 0.000 0.989 319 I CA -0.286 61.040 61.300 0.043 0.000 1.188 319 I CB 1.001 38.979 38.000 -0.036 0.000 1.342 319 I HN 0.517 nan 8.210 nan 0.000 0.457 320 Q N 4.938 124.780 119.800 0.070 0.000 2.587 320 Q HA 0.648 4.984 4.340 -0.005 0.000 0.293 320 Q C -1.626 174.482 176.000 0.180 0.000 1.083 320 Q CA -1.026 54.846 55.803 0.114 0.000 0.792 320 Q CB 2.035 30.843 28.738 0.116 0.000 1.484 320 Q HN 0.230 nan 8.270 nan 0.000 0.446 321 L N 1.476 122.828 121.223 0.215 0.000 2.371 321 L HA 0.491 4.828 4.340 -0.005 0.000 0.272 321 L C -0.873 176.220 176.870 0.373 0.000 1.124 321 L CA 0.327 55.321 54.840 0.258 0.000 0.816 321 L CB 0.743 42.915 42.059 0.188 0.000 1.129 321 L HN 0.672 nan 8.230 nan 0.000 0.448 322 W N 5.522 126.880 121.300 0.097 0.000 3.645 322 W HA 0.253 4.910 4.660 -0.004 0.000 0.285 322 W C -2.734 173.836 176.519 0.086 0.000 1.266 322 W CA -1.439 55.954 57.345 0.079 0.000 1.212 322 W CB 2.031 31.534 29.460 0.072 0.000 1.306 322 W HN 0.278 nan 8.180 nan 0.000 0.552 323 P HA -0.050 nan 4.420 nan 0.000 0.266 323 P C -0.055 177.314 177.300 0.115 0.000 1.186 323 P CA 0.551 63.585 63.100 -0.111 0.000 0.767 323 P CB 0.403 31.938 31.700 -0.276 0.000 0.820 324 c N 3.724 122.392 118.600 0.112 0.000 2.576 324 c HA 0.140 4.706 4.570 -0.005 0.000 0.401 324 c C 2.042 176.211 174.090 0.131 0.000 1.314 324 c CA -0.003 56.415 56.329 0.149 0.000 1.855 324 c CB -0.680 41.904 42.510 0.125 0.000 2.537 324 c HN 0.632 nan 8.230 nan 0.000 0.578 325 K N 0.757 121.249 120.400 0.153 0.000 2.314 325 K HA -0.048 4.269 4.320 -0.005 0.000 0.198 325 K C 1.034 177.686 176.600 0.087 0.000 1.045 325 K CA 0.511 56.877 56.287 0.133 0.000 0.988 325 K CB 0.097 32.687 32.500 0.150 0.000 0.783 325 K HN 0.655 nan 8.250 nan 0.000 0.484 326 Q N -0.379 119.466 119.800 0.075 0.000 2.196 326 Q HA -0.261 4.076 4.340 -0.005 0.000 0.191 326 Q C 0.254 176.275 176.000 0.036 0.000 0.656 326 Q CA 1.980 57.813 55.803 0.050 0.000 1.453 326 Q CB -1.972 26.794 28.738 0.046 0.000 1.707 326 Q HN 0.591 nan 8.270 nan 0.000 0.731 327 N N -0.092 118.633 118.700 0.042 0.000 2.376 327 N HA 0.280 5.017 4.740 -0.005 0.000 0.279 327 N C 0.750 176.271 175.510 0.017 0.000 1.337 327 N CA 0.646 53.712 53.050 0.027 0.000 0.926 327 N CB -0.401 38.105 38.487 0.032 0.000 1.081 327 N HN 0.094 nan 8.380 nan 0.000 0.472 328 S N -3.503 112.202 115.700 0.008 0.000 3.009 328 S HA 0.219 4.686 4.470 -0.005 0.000 0.254 328 S C -1.080 173.510 174.600 -0.017 0.000 1.004 328 S CA -0.780 57.416 58.200 -0.007 0.000 1.119 328 S CB -0.591 62.601 63.200 -0.013 0.000 1.075 328 S HN 0.375 nan 8.310 nan 0.000 0.618 329 D N 1.879 122.275 120.400 -0.007 0.000 2.533 329 D HA 0.028 4.664 4.640 -0.005 0.000 0.236 329 D C 1.270 177.546 176.300 -0.039 0.000 1.137 329 D CA 0.073 54.062 54.000 -0.018 0.000 0.867 329 D CB 1.376 42.174 40.800 -0.002 0.000 1.170 329 D HN 0.072 nan 8.370 nan 0.000 0.474 330 V N 2.928 122.804 119.914 -0.062 0.000 2.970 330 V HA -0.189 3.928 4.120 -0.005 0.000 0.260 330 V C 1.798 177.811 176.094 -0.135 0.000 1.100 330 V CA 1.274 63.506 62.300 -0.113 0.000 1.122 330 V CB -0.422 31.308 31.823 -0.156 0.000 0.721 330 V HN 0.544 nan 8.190 nan 0.000 0.483 331 N N -0.335 118.331 118.700 -0.056 0.000 2.521 331 N HA -0.115 4.621 4.740 -0.005 0.000 0.188 331 N C 1.364 176.801 175.510 -0.122 0.000 1.146 331 N CA 0.674 53.688 53.050 -0.059 0.000 0.893 331 N CB 0.166 38.632 38.487 -0.035 0.000 0.975 331 N HN 0.598 nan 8.380 nan 0.000 0.451 332 Q N -0.223 119.508 119.800 -0.114 0.000 2.127 332 Q HA 0.395 4.732 4.340 -0.005 0.000 0.222 332 Q C -0.732 175.239 176.000 -0.049 0.000 0.794 332 Q CA -0.151 55.670 55.803 0.031 0.000 1.010 332 Q CB 0.812 29.623 28.738 0.123 0.000 1.170 332 Q HN 0.263 nan 8.270 nan 0.000 0.479 333 L N 0.646 121.666 121.223 -0.338 0.000 2.322 333 L HA 0.523 4.859 4.340 -0.005 0.000 0.281 333 L C -1.316 175.227 176.870 -0.544 0.000 1.014 333 L CA -0.626 54.063 54.840 -0.252 0.000 0.815 333 L CB 1.089 43.075 42.059 -0.123 0.000 1.247 333 L HN 0.035 nan 8.230 nan 0.000 0.421 334 W N 1.481 122.797 121.300 0.026 0.000 2.619 334 W HA 0.438 5.095 4.660 -0.006 0.000 0.327 334 W C -0.341 176.196 176.519 0.030 0.000 1.027 334 W CA -0.552 56.803 57.345 0.017 0.000 1.233 334 W CB 2.051 31.503 29.460 -0.014 0.000 1.370 334 W HN 0.266 nan 8.180 nan 0.000 0.453 335 T N 4.596 119.272 114.554 0.203 0.000 2.737 335 T HA 0.320 4.667 4.350 -0.005 0.000 0.296 335 T C 0.086 174.899 174.700 0.189 0.000 0.922 335 T CA -0.436 61.755 62.100 0.152 0.000 1.079 335 T CB 0.247 69.168 68.868 0.088 0.000 0.892 335 T HN 0.163 nan 8.240 nan 0.000 0.514 336 L N 4.919 126.244 121.223 0.171 0.000 2.356 336 L HA 0.331 4.667 4.340 -0.005 0.000 0.282 336 L C 1.034 177.984 176.870 0.134 0.000 1.132 336 L CA -0.616 54.323 54.840 0.166 0.000 0.923 336 L CB -0.056 42.104 42.059 0.169 0.000 1.278 336 L HN 0.343 nan 8.230 nan 0.000 0.436 337 R N 1.685 122.265 120.500 0.133 0.000 2.528 337 R HA 0.214 4.550 4.340 -0.005 0.000 0.271 337 R C 1.070 177.434 176.300 0.107 0.000 1.056 337 R CA -0.519 55.646 56.100 0.108 0.000 1.117 337 R CB 1.172 31.534 30.300 0.102 0.000 1.085 337 R HN 0.509 nan 8.270 nan 0.000 0.530 338 R N 0.954 121.506 120.500 0.087 0.000 2.120 338 R HA -0.140 4.197 4.340 -0.005 0.000 0.234 338 R C 0.859 177.207 176.300 0.080 0.000 1.123 338 R CA 1.972 58.121 56.100 0.082 0.000 0.975 338 R CB -0.046 30.293 30.300 0.065 0.000 0.866 338 R HN 0.630 nan 8.270 nan 0.000 0.446 339 D N -1.497 118.949 120.400 0.077 0.000 2.392 339 D HA -0.010 4.627 4.640 -0.005 0.000 0.228 339 D C 1.105 177.452 176.300 0.080 0.000 1.003 339 D CA 1.008 55.049 54.000 0.069 0.000 0.917 339 D CB -0.039 40.798 40.800 0.061 0.000 0.890 339 D HN 0.351 nan 8.370 nan 0.000 0.532 340 G N -0.253 108.611 108.800 0.106 0.000 2.175 340 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.244 340 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.244 340 G C 0.476 175.486 174.900 0.183 0.000 0.982 340 G CA 0.423 45.603 45.100 0.133 0.000 0.641 340 G HN 0.757 nan 8.290 nan 0.000 0.527 341 T N -0.692 113.965 114.554 0.172 0.000 2.882 341 T HA 0.688 5.035 4.350 -0.005 0.000 0.287 341 T C 0.256 175.090 174.700 0.224 0.000 1.014 341 T CA -0.362 61.873 62.100 0.224 0.000 1.049 341 T CB 2.267 71.242 68.868 0.178 0.000 1.001 341 T HN 0.495 nan 8.240 nan 0.000 0.525 342 I N 1.685 122.396 120.570 0.236 0.000 2.410 342 I HA 0.418 4.585 4.170 -0.005 0.000 0.286 342 I C 0.207 176.542 176.117 0.363 0.000 1.009 342 I CA -0.834 60.584 61.300 0.196 0.000 1.111 342 I CB 1.510 39.456 38.000 -0.089 0.000 1.262 342 I HN 0.510 nan 8.210 nan 0.000 0.443 343 R N 3.861 124.598 120.500 0.395 0.000 2.599 343 R HA 0.639 4.976 4.340 -0.005 0.000 0.295 343 R C -0.889 175.477 176.300 0.109 0.000 0.963 343 R CA -0.685 55.587 56.100 0.288 0.000 0.883 343 R CB 2.385 32.773 30.300 0.147 0.000 1.171 343 R HN 0.500 nan 8.270 nan 0.000 0.450 344 S N 2.055 117.682 115.700 -0.121 0.000 2.532 344 S HA 0.351 4.818 4.470 -0.005 0.000 0.299 344 S C 0.030 174.503 174.600 -0.212 0.000 1.105 344 S CA -0.311 57.619 58.200 -0.449 0.000 1.018 344 S CB 0.757 63.264 63.200 -1.155 0.000 1.021 344 S HN 0.839 nan 8.310 nan 0.000 0.483 345 N N 3.109 121.625 118.700 -0.305 0.000 1.504 345 N HA -0.204 4.533 4.740 -0.005 0.000 0.155 345 N C 0.913 176.285 175.510 -0.231 0.000 0.736 345 N CA 2.432 55.247 53.050 -0.392 0.000 1.095 345 N CB -1.691 36.252 38.487 -0.907 0.000 1.315 345 N HN 0.836 nan 8.380 nan 0.000 0.467 346 G N 0.484 109.153 108.800 -0.218 0.000 2.939 346 G HA2 0.200 4.156 3.960 -0.005 0.000 0.216 346 G HA3 0.200 4.156 3.960 -0.005 0.000 0.216 346 G C 0.234 175.122 174.900 -0.020 0.000 1.125 346 G CA 0.225 45.265 45.100 -0.100 0.000 0.766 346 G HN 0.431 nan 8.290 nan 0.000 0.541 347 K N -0.443 119.973 120.400 0.027 0.000 2.168 347 K HA 0.553 4.870 4.320 -0.005 0.000 0.239 347 K C -1.042 175.668 176.600 0.183 0.000 0.999 347 K CA -0.682 55.674 56.287 0.115 0.000 0.900 347 K CB 1.779 34.380 32.500 0.168 0.000 1.111 347 K HN -0.065 nan 8.250 nan 0.000 0.452 348 c N 1.510 120.239 118.600 0.215 0.000 2.376 348 c HA 0.311 4.877 4.570 -0.005 0.000 0.335 348 c C 0.137 174.413 174.090 0.309 0.000 1.229 348 c CA -0.855 55.631 56.329 0.261 0.000 1.867 348 c CB 0.298 42.941 42.510 0.222 0.000 2.319 348 c HN 0.724 nan 8.230 nan 0.000 0.515 349 L N 3.932 125.348 121.223 0.321 0.000 2.477 349 L HA 0.327 4.664 4.340 -0.005 0.000 0.272 349 L C 0.120 177.183 176.870 0.322 0.000 1.157 349 L CA 1.650 56.582 54.840 0.153 0.000 0.889 349 L CB 0.315 42.174 42.059 -0.335 0.000 1.158 349 L HN 0.808 nan 8.230 nan 0.000 0.473 350 T N 3.068 117.772 114.554 0.251 0.000 2.912 350 T HA 0.283 4.630 4.350 -0.005 0.000 0.299 350 T C -0.463 174.312 174.700 0.126 0.000 1.052 350 T CA -0.487 61.748 62.100 0.224 0.000 0.996 350 T CB 1.602 70.530 68.868 0.100 0.000 1.070 350 T HN 0.659 nan 8.240 nan 0.000 0.465 351 T N 1.156 115.741 114.554 0.052 0.000 2.882 351 T HA 0.247 4.594 4.350 -0.005 0.000 0.287 351 T C 1.145 175.652 174.700 -0.321 0.000 0.992 351 T CA -0.398 61.644 62.100 -0.097 0.000 1.076 351 T CB 0.516 69.329 68.868 -0.092 0.000 0.961 351 T HN 0.577 nan 8.240 nan 0.000 0.490 352 N N 2.305 120.745 118.700 -0.433 0.000 2.467 352 N HA 0.263 5.000 4.740 -0.005 0.000 0.184 352 N C 0.388 175.648 175.510 -0.417 0.000 1.106 352 N CA 0.736 53.481 53.050 -0.508 0.000 0.892 352 N CB 0.115 38.142 38.487 -0.767 0.000 0.969 352 N HN 0.899 nan 8.380 nan 0.000 0.454 353 G N -1.711 106.829 108.800 -0.434 0.000 2.328 353 G HA2 0.184 4.140 3.960 -0.005 0.000 0.295 353 G HA3 0.184 4.140 3.960 -0.005 0.000 0.295 353 G C -1.617 173.036 174.900 -0.412 0.000 1.413 353 G CA -0.708 44.097 45.100 -0.492 0.000 0.817 353 G HN 0.058 nan 8.290 nan 0.000 0.546 354 Y N 0.777 121.015 120.300 -0.102 0.000 2.801 354 Y HA 0.616 5.163 4.550 -0.006 0.000 0.318 354 Y C 1.033 176.891 175.900 -0.069 0.000 1.073 354 Y CA -1.026 57.014 58.100 -0.100 0.000 1.360 354 Y CB 0.534 38.933 38.460 -0.103 0.000 1.220 354 Y HN 0.296 nan 8.280 nan 0.000 0.536 355 S N 0.545 116.273 115.700 0.047 0.000 2.521 355 S HA 0.687 5.154 4.470 -0.005 0.000 0.295 355 S C -0.089 174.525 174.600 0.023 0.000 1.098 355 S CA -1.040 57.179 58.200 0.032 0.000 0.999 355 S CB 1.423 64.633 63.200 0.018 0.000 1.034 355 S HN 0.386 nan 8.310 nan 0.000 0.483 356 A N 1.588 124.420 122.820 0.021 0.000 2.567 356 A HA 0.403 4.719 4.320 -0.005 0.000 0.263 356 A C 1.509 179.108 177.584 0.024 0.000 1.030 356 A CA 0.987 53.036 52.037 0.020 0.000 0.833 356 A CB -1.293 17.716 19.000 0.015 0.000 0.924 356 A HN 1.865 nan 8.150 nan 0.000 0.518 357 G N 2.251 111.070 108.800 0.032 0.000 2.253 357 G HA2 -0.163 3.793 3.960 -0.005 0.000 0.209 357 G HA3 -0.163 3.793 3.960 -0.005 0.000 0.209 357 G C -0.018 174.918 174.900 0.061 0.000 0.997 357 G CA 0.132 45.257 45.100 0.041 0.000 0.640 357 G HN 0.773 nan 8.290 nan 0.000 0.496 358 D N 0.644 121.072 120.400 0.047 0.000 2.399 358 D HA 0.475 5.111 4.640 -0.005 0.000 0.241 358 D C 0.688 177.036 176.300 0.080 0.000 1.133 358 D CA 0.260 54.290 54.000 0.051 0.000 0.890 358 D CB 0.440 41.218 40.800 -0.037 0.000 1.201 358 D HN 0.530 nan 8.370 nan 0.000 0.432 359 Y N -0.691 119.598 120.300 -0.018 0.000 2.376 359 Y HA 0.536 5.083 4.550 -0.006 0.000 0.325 359 Y C -0.580 175.315 175.900 -0.008 0.000 1.199 359 Y CA -1.125 56.969 58.100 -0.010 0.000 1.206 359 Y CB 0.488 38.941 38.460 -0.011 0.000 1.229 359 Y HN 0.026 nan 8.280 nan 0.000 0.480 360 V N 6.267 126.167 119.914 -0.022 0.000 2.539 360 V HA 0.442 4.559 4.120 -0.005 0.000 0.292 360 V C 0.385 176.461 176.094 -0.031 0.000 1.045 360 V CA -0.728 61.513 62.300 -0.098 0.000 0.945 360 V CB 0.998 32.766 31.823 -0.092 0.000 0.993 360 V HN 1.003 nan 8.190 nan 0.000 0.464 361 M N 3.768 123.328 119.600 -0.066 0.000 2.716 361 M HA 0.716 5.193 4.480 -0.005 0.000 0.278 361 M C -1.701 174.655 176.300 0.093 0.000 1.281 361 M CA -0.864 54.466 55.300 0.050 0.000 0.814 361 M CB 2.231 34.847 32.600 0.027 0.000 1.719 361 M HN 0.415 nan 8.290 nan 0.000 0.457 362 I N 1.520 122.167 120.570 0.129 0.000 2.396 362 I HA 0.547 4.714 4.170 -0.005 0.000 0.292 362 I C -1.558 174.711 176.117 0.253 0.000 0.999 362 I CA 0.164 61.568 61.300 0.173 0.000 1.310 362 I CB 1.022 39.070 38.000 0.079 0.000 1.404 362 I HN 0.613 nan 8.210 nan 0.000 0.496 363 Y N 4.720 125.074 120.300 0.090 0.000 2.655 363 Y HA 0.361 4.908 4.550 -0.006 0.000 0.336 363 Y C -0.665 175.284 175.900 0.082 0.000 1.154 363 Y CA -1.130 57.010 58.100 0.067 0.000 1.055 363 Y CB 1.237 39.719 38.460 0.037 0.000 1.295 363 Y HN 0.504 nan 8.280 nan 0.000 0.465 364 D N 1.499 121.739 120.400 -0.267 0.000 2.472 364 D HA 0.087 4.724 4.640 -0.005 0.000 0.237 364 D C -0.469 175.882 176.300 0.085 0.000 1.141 364 D CA 0.561 54.491 54.000 -0.117 0.000 0.875 364 D CB 0.509 41.160 40.800 -0.249 0.000 1.192 364 D HN 0.459 nan 8.370 nan 0.000 0.450 365 c N 3.017 121.664 118.600 0.078 0.000 2.585 365 c HA 0.305 4.872 4.570 -0.005 0.000 0.406 365 c C 1.061 175.195 174.090 0.073 0.000 1.312 365 c CA -0.641 55.747 56.329 0.098 0.000 1.924 365 c CB -0.276 42.284 42.510 0.083 0.000 2.578 365 c HN 0.422 nan 8.230 nan 0.000 0.580 366 R N 1.127 121.678 120.500 0.085 0.000 2.500 366 R HA 0.359 4.695 4.340 -0.005 0.000 0.275 366 R C 1.556 177.883 176.300 0.045 0.000 1.051 366 R CA 0.165 56.303 56.100 0.064 0.000 1.088 366 R CB 0.627 30.970 30.300 0.072 0.000 1.063 366 R HN 0.887 nan 8.270 nan 0.000 0.511 367 T N -2.430 112.143 114.554 0.033 0.000 3.081 367 T HA 0.088 4.435 4.350 -0.005 0.000 0.255 367 T C -0.810 173.905 174.700 0.024 0.000 1.113 367 T CA -0.090 62.026 62.100 0.026 0.000 1.082 367 T CB -0.305 68.574 68.868 0.019 0.000 0.939 367 T HN 0.492 nan 8.240 nan 0.000 0.506 368 P HA 0.324 nan 4.420 nan 0.000 0.227 368 P C -0.197 177.119 177.300 0.026 0.000 1.161 368 P CA 0.161 63.274 63.100 0.023 0.000 0.788 368 P CB -0.050 31.662 31.700 0.020 0.000 0.822 369 V N 0.345 120.280 119.914 0.035 0.000 3.556 369 V HA -0.143 3.973 4.120 -0.005 0.000 0.463 369 V C 0.573 176.684 176.094 0.029 0.000 0.681 369 V CA 0.334 62.658 62.300 0.041 0.000 1.957 369 V CB -2.731 29.117 31.823 0.041 0.000 2.397 369 V HN 0.610 nan 8.190 nan 0.000 0.496 370 T N 1.410 115.984 114.554 0.033 0.000 2.754 370 T HA 0.695 5.042 4.350 -0.005 0.000 0.286 370 T C 1.336 176.030 174.700 -0.010 0.000 0.997 370 T CA 0.137 62.246 62.100 0.015 0.000 0.982 370 T CB 1.880 70.758 68.868 0.016 0.000 1.027 370 T HN 1.679 nan 8.240 nan 0.000 0.529 371 A N 0.187 123.001 122.820 -0.010 0.000 2.072 371 A HA 0.437 4.753 4.320 -0.005 0.000 0.216 371 A C 2.432 179.968 177.584 -0.080 0.000 1.156 371 A CA 0.879 52.886 52.037 -0.049 0.000 0.701 371 A CB -1.170 17.798 19.000 -0.054 0.000 0.816 371 A HN 1.160 nan 8.150 nan 0.000 0.458 372 A N 0.221 123.024 122.820 -0.029 0.000 2.209 372 A HA 0.095 4.411 4.320 -0.005 0.000 0.212 372 A C 2.039 179.501 177.584 -0.204 0.000 1.158 372 A CA 1.587 53.552 52.037 -0.120 0.000 0.742 372 A CB -0.491 18.383 19.000 -0.209 0.000 0.790 372 A HN 0.913 nan 8.150 nan 0.000 0.472 373 S N -1.029 114.592 115.700 -0.132 0.000 2.559 373 S HA 0.347 4.814 4.470 -0.005 0.000 0.226 373 S C 0.222 174.792 174.600 -0.050 0.000 1.000 373 S CA -0.443 57.764 58.200 0.011 0.000 0.948 373 S CB -0.074 63.196 63.200 0.117 0.000 0.870 373 S HN 0.187 nan 8.310 nan 0.000 0.497 374 I N 2.259 122.645 120.570 -0.308 0.000 2.353 374 I HA 0.491 4.658 4.170 -0.005 0.000 0.293 374 I C -1.024 174.755 176.117 -0.564 0.000 0.992 374 I CA -0.707 60.450 61.300 -0.237 0.000 1.268 374 I CB 0.093 38.005 38.000 -0.146 0.000 1.387 374 I HN 0.341 nan 8.210 nan 0.000 0.478 375 W N 4.030 125.294 121.300 -0.061 0.000 2.998 375 W HA 0.518 5.176 4.660 -0.004 0.000 0.335 375 W C -0.437 176.039 176.519 -0.071 0.000 1.110 375 W CA -0.601 56.673 57.345 -0.118 0.000 1.230 375 W CB 0.977 30.322 29.460 -0.191 0.000 1.405 375 W HN 0.365 nan 8.180 nan 0.000 0.493 376 Q N 2.118 121.970 119.800 0.087 0.000 2.274 376 Q HA 0.339 4.676 4.340 -0.005 0.000 0.256 376 Q C -0.988 175.011 176.000 -0.003 0.000 0.927 376 Q CA -0.699 55.157 55.803 0.090 0.000 0.939 376 Q CB 1.230 30.051 28.738 0.139 0.000 1.201 376 Q HN 0.310 nan 8.270 nan 0.000 0.426 377 F N 4.509 124.461 119.950 0.004 0.000 2.350 377 F HA 0.298 4.822 4.527 -0.006 0.000 0.365 377 F C -1.276 174.647 175.800 0.205 0.000 1.122 377 F CA -1.519 56.484 58.000 0.005 0.000 1.139 377 F CB 0.285 39.289 39.000 0.007 0.000 1.220 377 F HN 0.531 nan 8.300 nan 0.000 0.499 378 W N 4.535 126.170 121.300 0.559 0.000 2.313 378 W HA 0.453 5.109 4.660 -0.006 0.000 0.328 378 W C 1.051 177.724 176.519 0.256 0.000 1.197 378 W CA -0.837 56.697 57.345 0.315 0.000 1.235 378 W CB 0.457 30.077 29.460 0.267 0.000 1.158 378 W HN 0.683 nan 8.180 nan 0.000 0.578 379 A N 2.267 125.300 122.820 0.354 0.000 1.940 379 A HA -0.288 4.029 4.320 -0.005 0.000 0.219 379 A C 2.001 179.720 177.584 0.226 0.000 1.176 379 A CA 2.049 54.201 52.037 0.192 0.000 0.631 379 A CB -0.721 18.378 19.000 0.166 0.000 0.814 379 A HN 0.749 nan 8.150 nan 0.000 0.446 380 N N -0.277 118.596 118.700 0.289 0.000 2.364 380 N HA -0.016 4.721 4.740 -0.005 0.000 0.183 380 N C 1.056 176.770 175.510 0.341 0.000 1.022 380 N CA 1.825 55.039 53.050 0.272 0.000 0.883 380 N CB -0.163 38.494 38.487 0.283 0.000 0.965 380 N HN 0.740 nan 8.380 nan 0.000 0.438 381 G N -0.660 108.428 108.800 0.481 0.000 2.151 381 G HA2 -0.151 3.806 3.960 -0.005 0.000 0.140 381 G HA3 -0.151 3.806 3.960 -0.005 0.000 0.140 381 G C -0.311 174.875 174.900 0.477 0.000 1.020 381 G CA 0.083 45.499 45.100 0.528 0.000 0.688 381 G HN 0.390 nan 8.290 nan 0.000 0.500 382 T N 1.122 115.954 114.554 0.463 0.000 2.829 382 T HA 0.660 5.007 4.350 -0.005 0.000 0.282 382 T C 0.269 174.938 174.700 -0.052 0.000 0.990 382 T CA -0.134 62.100 62.100 0.223 0.000 1.028 382 T CB 1.607 70.602 68.868 0.211 0.000 0.951 382 T HN 0.274 nan 8.240 nan 0.000 0.460 383 I N 3.909 124.328 120.570 -0.251 0.000 2.359 383 I HA 0.476 4.643 4.170 -0.005 0.000 0.284 383 I C -0.464 175.492 176.117 -0.268 0.000 1.018 383 I CA -0.619 60.409 61.300 -0.453 0.000 1.173 383 I CB 1.123 38.607 38.000 -0.860 0.000 1.326 383 I HN 0.481 nan 8.210 nan 0.000 0.462 384 I N 7.011 127.388 120.570 -0.321 0.000 2.404 384 I HA 0.298 4.465 4.170 -0.005 0.000 0.293 384 I C -0.165 175.878 176.117 -0.124 0.000 0.992 384 I CA -0.418 60.696 61.300 -0.310 0.000 1.149 384 I CB 1.370 38.909 38.000 -0.768 0.000 1.315 384 I HN 0.601 nan 8.210 nan 0.000 0.446 385 N N 8.659 127.243 118.700 -0.194 0.000 2.415 385 N HA 0.242 4.979 4.740 -0.005 0.000 0.246 385 N C -2.126 173.185 175.510 -0.332 0.000 1.078 385 N CA -1.501 51.227 53.050 -0.535 0.000 0.942 385 N CB 1.580 39.523 38.487 -0.907 0.000 1.140 385 N HN 0.379 nan 8.380 nan 0.000 0.501 386 P HA -0.159 nan 4.420 nan 0.000 0.216 386 P C 1.252 178.439 177.300 -0.189 0.000 1.150 386 P CA 1.060 64.068 63.100 -0.153 0.000 0.837 386 P CB 0.281 31.928 31.700 -0.089 0.000 0.786 387 Q N 0.653 120.293 119.800 -0.266 0.000 2.152 387 Q HA -0.169 4.168 4.340 -0.005 0.000 0.206 387 Q C 1.889 177.634 176.000 -0.426 0.000 0.985 387 Q CA 2.548 58.136 55.803 -0.358 0.000 0.863 387 Q CB -0.908 27.561 28.738 -0.448 0.000 0.904 387 Q HN 0.308 nan 8.270 nan 0.000 0.422 388 S N -2.195 113.291 115.700 -0.357 0.000 2.523 388 S HA 0.510 4.976 4.470 -0.005 0.000 0.217 388 S C 1.089 175.604 174.600 -0.141 0.000 0.996 388 S CA 0.453 58.500 58.200 -0.255 0.000 0.921 388 S CB 0.425 63.559 63.200 -0.108 0.000 0.829 388 S HN 0.781 nan 8.310 nan 0.000 0.495 389 A N 0.418 123.157 122.820 -0.136 0.000 2.945 389 A HA -0.157 4.160 4.320 -0.005 0.000 0.263 389 A C 0.256 177.791 177.584 -0.083 0.000 1.293 389 A CA 1.316 53.302 52.037 -0.085 0.000 0.944 389 A CB -2.565 16.409 19.000 -0.045 0.000 1.093 389 A HN 0.636 nan 8.150 nan 0.000 0.786 390 L N -0.270 120.902 121.223 -0.084 0.000 2.379 390 L HA 0.668 5.005 4.340 -0.005 0.000 0.269 390 L C 0.613 177.459 176.870 -0.040 0.000 1.084 390 L CA -0.497 54.313 54.840 -0.050 0.000 0.802 390 L CB 1.554 43.605 42.059 -0.013 0.000 1.175 390 L HN 0.539 nan 8.230 nan 0.000 0.448 391 V N 0.238 120.141 119.914 -0.018 0.000 2.864 391 V HA 0.442 4.559 4.120 -0.005 0.000 0.314 391 V C -0.339 175.783 176.094 0.048 0.000 1.073 391 V CA -1.184 61.108 62.300 -0.014 0.000 0.956 391 V CB 1.905 33.674 31.823 -0.091 0.000 1.023 391 V HN 0.527 nan 8.190 nan 0.000 0.435 392 L N 3.738 124.958 121.223 -0.006 0.000 2.615 392 L HA 0.432 4.769 4.340 -0.005 0.000 0.271 392 L C 0.330 177.332 176.870 0.221 0.000 1.183 392 L CA 1.288 56.065 54.840 -0.105 0.000 0.933 392 L CB -0.256 41.411 42.059 -0.654 0.000 1.199 392 L HN 1.007 nan 8.230 nan 0.000 0.487 393 S N 3.225 119.044 115.700 0.198 0.000 2.599 393 S HA 0.874 5.341 4.470 -0.005 0.000 0.287 393 S C -0.689 174.052 174.600 0.234 0.000 1.105 393 S CA -0.382 57.956 58.200 0.229 0.000 0.899 393 S CB 1.905 65.165 63.200 0.100 0.000 1.100 393 S HN 0.806 nan 8.310 nan 0.000 0.482 394 A N 1.544 124.458 122.820 0.157 0.000 2.431 394 A HA 0.517 4.834 4.320 -0.005 0.000 0.318 394 A C 0.215 177.823 177.584 0.041 0.000 1.330 394 A CA -0.452 51.652 52.037 0.111 0.000 0.804 394 A CB 0.180 19.228 19.000 0.080 0.000 1.135 394 A HN 0.641 nan 8.150 nan 0.000 0.483 395 E N 0.671 120.899 120.200 0.048 0.000 2.382 395 E HA 0.098 4.445 4.350 -0.005 0.000 0.190 395 E C -0.269 176.341 176.600 0.016 0.000 1.125 395 E CA 0.511 56.927 56.400 0.027 0.000 0.929 395 E CB 0.082 29.801 29.700 0.032 0.000 1.053 395 E HN 0.490 nan 8.360 nan 0.000 0.475 396 S N -2.213 113.494 115.700 0.013 0.000 2.596 396 S HA 0.340 4.807 4.470 -0.005 0.000 0.305 396 S C 0.501 175.105 174.600 0.007 0.000 1.086 396 S CA -0.154 58.053 58.200 0.012 0.000 0.909 396 S CB 0.790 64.004 63.200 0.025 0.000 1.106 396 S HN 0.143 nan 8.310 nan 0.000 0.450 397 G N 3.005 111.801 108.800 -0.005 0.000 2.777 397 G HA2 0.081 4.038 3.960 -0.005 0.000 0.211 397 G HA3 0.081 4.038 3.960 -0.005 0.000 0.211 397 G C 0.501 175.398 174.900 -0.005 0.000 1.149 397 G CA -0.053 45.038 45.100 -0.016 0.000 0.785 397 G HN 0.768 nan 8.290 nan 0.000 0.536 398 N N 0.776 119.480 118.700 0.006 0.000 2.476 398 N HA 0.354 5.090 4.740 -0.005 0.000 0.275 398 N C -3.305 172.221 175.510 0.026 0.000 1.190 398 N CA -1.812 51.241 53.050 0.004 0.000 0.977 398 N CB 1.104 39.592 38.487 0.002 0.000 1.200 398 N HN -0.208 nan 8.380 nan 0.000 0.515 399 P HA 0.216 nan 4.420 nan 0.000 0.271 399 P C 0.046 177.432 177.300 0.143 0.000 1.218 399 P CA 0.106 63.230 63.100 0.040 0.000 0.780 399 P CB 0.422 32.029 31.700 -0.155 0.000 0.901 400 R N -2.095 118.569 120.500 0.273 0.000 3.804 400 R HA -0.102 4.235 4.340 -0.005 0.000 0.459 400 R C 0.041 176.424 176.300 0.138 0.000 1.009 400 R CA 1.141 57.386 56.100 0.242 0.000 1.210 400 R CB -2.545 27.888 30.300 0.221 0.000 1.860 400 R HN 0.735 nan 8.270 nan 0.000 0.526 401 T N -1.039 113.587 114.554 0.120 0.000 2.901 401 T HA 0.277 4.624 4.350 -0.005 0.000 0.301 401 T C 0.484 175.239 174.700 0.093 0.000 1.012 401 T CA -0.204 61.947 62.100 0.086 0.000 1.135 401 T CB 1.482 70.392 68.868 0.071 0.000 0.936 401 T HN 0.076 nan 8.240 nan 0.000 0.539 402 T N 5.064 119.659 114.554 0.068 0.000 2.814 402 T HA 0.350 4.697 4.350 -0.005 0.000 0.297 402 T C 0.573 175.327 174.700 0.090 0.000 0.956 402 T CA -0.583 61.559 62.100 0.070 0.000 1.123 402 T CB 0.103 68.989 68.868 0.030 0.000 0.902 402 T HN 0.481 nan 8.240 nan 0.000 0.528 403 L N 2.522 123.801 121.223 0.092 0.000 2.468 403 L HA 0.660 4.997 4.340 -0.005 0.000 0.254 403 L C 0.517 177.439 176.870 0.087 0.000 1.171 403 L CA -0.629 54.258 54.840 0.078 0.000 0.809 403 L CB 0.760 42.818 42.059 -0.001 0.000 1.155 403 L HN 0.641 nan 8.230 nan 0.000 0.473 404 T N -0.009 114.586 114.554 0.068 0.000 3.855 404 T HA 0.108 4.455 4.350 -0.005 0.000 0.359 404 T C -0.819 173.919 174.700 0.063 0.000 0.821 404 T CA -0.751 61.396 62.100 0.078 0.000 0.986 404 T CB 0.480 69.397 68.868 0.083 0.000 1.286 404 T HN 0.454 nan 8.240 nan 0.000 0.441 405 V N 2.241 122.194 119.914 0.066 0.000 2.498 405 V HA 0.873 4.990 4.120 -0.005 0.000 0.279 405 V C -0.091 176.030 176.094 0.044 0.000 1.048 405 V CA -0.409 61.934 62.300 0.070 0.000 0.967 405 V CB 1.482 33.350 31.823 0.076 0.000 0.988 405 V HN 0.718 nan 8.190 nan 0.000 0.473 406 Q N 2.131 121.950 119.800 0.032 0.000 2.495 406 Q HA 0.682 5.019 4.340 -0.005 0.000 0.287 406 Q C -0.215 175.781 176.000 -0.006 0.000 1.078 406 Q CA -0.590 55.222 55.803 0.016 0.000 0.793 406 Q CB 2.328 31.078 28.738 0.019 0.000 1.459 406 Q HN 1.124 nan 8.270 nan 0.000 0.422 407 A N 1.272 124.087 122.820 -0.008 0.000 2.548 407 A HA 0.017 4.334 4.320 -0.005 0.000 0.247 407 A C -0.043 177.515 177.584 -0.044 0.000 1.067 407 A CA 0.119 52.144 52.037 -0.020 0.000 0.757 407 A CB -0.357 18.639 19.000 -0.007 0.000 0.996 407 A HN 0.521 nan 8.150 nan 0.000 0.504 408 D N 1.937 122.289 120.400 -0.080 0.000 2.412 408 D HA 0.200 4.837 4.640 -0.005 0.000 0.257 408 D C 0.795 177.020 176.300 -0.124 0.000 1.217 408 D CA 0.453 54.357 54.000 -0.161 0.000 0.897 408 D CB 0.098 40.742 40.800 -0.260 0.000 1.132 408 D HN 0.483 nan 8.370 nan 0.000 0.493 409 I N 0.649 121.164 120.570 -0.093 0.000 4.050 409 I HA 0.243 4.410 4.170 -0.005 0.000 0.327 409 I C -0.379 175.784 176.117 0.077 0.000 1.473 409 I CA -0.652 60.646 61.300 -0.003 0.000 1.124 409 I CB -0.160 37.844 38.000 0.006 0.000 1.129 409 I HN 0.177 nan 8.210 nan 0.000 0.428 410 Y N 1.120 121.414 120.300 -0.010 0.000 3.396 410 Y HA -0.262 4.285 4.550 -0.006 0.000 0.214 410 Y C 1.168 177.015 175.900 -0.088 0.000 1.203 410 Y CA 0.298 58.382 58.100 -0.027 0.000 1.401 410 Y CB -1.961 36.482 38.460 -0.029 0.000 1.409 410 Y HN 0.579 nan 8.280 nan 0.000 0.594 411 A N 0.219 123.050 122.820 0.018 0.000 2.296 411 A HA 0.482 4.799 4.320 -0.005 0.000 0.264 411 A C 1.432 178.969 177.584 -0.078 0.000 1.097 411 A CA 0.063 52.071 52.037 -0.048 0.000 0.811 411 A CB 0.282 19.253 19.000 -0.048 0.000 1.072 411 A HN 0.648 nan 8.150 nan 0.000 0.495 412 S N 0.232 115.862 115.700 -0.116 0.000 2.387 412 S HA -0.171 4.295 4.470 -0.005 0.000 0.226 412 S C 1.817 176.289 174.600 -0.213 0.000 1.026 412 S CA 1.109 59.222 58.200 -0.145 0.000 0.972 412 S CB -0.523 62.605 63.200 -0.120 0.000 0.814 412 S HN 0.744 nan 8.310 nan 0.000 0.477 413 R N 1.295 121.694 120.500 -0.169 0.000 2.228 413 R HA -0.171 4.166 4.340 -0.005 0.000 0.259 413 R C 1.352 177.515 176.300 -0.228 0.000 1.183 413 R CA 1.929 57.924 56.100 -0.175 0.000 1.002 413 R CB -0.225 30.022 30.300 -0.088 0.000 0.879 413 R HN 0.632 nan 8.270 nan 0.000 0.467 414 Q N -1.447 118.234 119.800 -0.198 0.000 2.155 414 Q HA 0.213 4.550 4.340 -0.005 0.000 0.220 414 Q C -0.243 175.640 176.000 -0.196 0.000 0.819 414 Q CA -0.254 55.487 55.803 -0.104 0.000 1.032 414 Q CB 1.922 30.653 28.738 -0.012 0.000 1.151 414 Q HN 0.206 nan 8.270 nan 0.000 0.487 415 G N 0.161 108.660 108.800 -0.501 0.000 2.400 415 G HA2 0.553 4.509 3.960 -0.005 0.000 0.333 415 G HA3 0.553 4.509 3.960 -0.005 0.000 0.333 415 G C -1.563 172.900 174.900 -0.727 0.000 1.143 415 G CA -0.286 44.595 45.100 -0.364 0.000 0.914 415 G HN 0.125 nan 8.290 nan 0.000 0.480 416 W N 0.145 121.488 121.300 0.072 0.000 3.137 416 W HA 0.598 5.254 4.660 -0.006 0.000 0.324 416 W C -1.287 175.405 176.519 0.288 0.000 1.253 416 W CA -0.852 56.533 57.345 0.067 0.000 1.183 416 W CB 2.409 31.743 29.460 -0.210 0.000 1.424 416 W HN 0.493 nan 8.180 nan 0.000 0.566 417 L N 2.398 123.965 121.223 0.573 0.000 2.516 417 L HA 0.834 5.170 4.340 -0.005 0.000 0.267 417 L C -0.552 176.555 176.870 0.395 0.000 0.957 417 L CA -0.659 54.446 54.840 0.442 0.000 0.860 417 L CB 1.340 43.541 42.059 0.236 0.000 1.265 417 L HN 0.550 nan 8.230 nan 0.000 0.403 418 A N 3.195 126.170 122.820 0.258 0.000 2.363 418 A HA 0.864 5.181 4.320 -0.005 0.000 0.270 418 A C 0.388 177.999 177.584 0.045 0.000 1.121 418 A CA 0.554 52.683 52.037 0.155 0.000 0.800 418 A CB 0.126 19.087 19.000 -0.064 0.000 1.052 418 A HN 1.650 nan 8.150 nan 0.000 0.493 419 G N 1.303 110.150 108.800 0.078 0.000 2.318 419 G HA2 0.179 4.136 3.960 -0.005 0.000 0.302 419 G HA3 0.179 4.136 3.960 -0.005 0.000 0.302 419 G C -0.269 174.671 174.900 0.067 0.000 1.633 419 G CA -0.448 44.673 45.100 0.035 0.000 0.965 419 G HN 0.499 nan 8.290 nan 0.000 0.698 420 N N -0.222 118.506 118.700 0.047 0.000 2.368 420 N HA -0.017 4.720 4.740 -0.005 0.000 0.176 420 N C 1.015 176.550 175.510 0.042 0.000 1.021 420 N CA 0.537 53.614 53.050 0.045 0.000 0.888 420 N CB 0.024 38.520 38.487 0.015 0.000 0.995 420 N HN 0.633 nan 8.380 nan 0.000 0.437 421 N N 0.772 119.500 118.700 0.045 0.000 2.400 421 N HA -0.009 4.728 4.740 -0.005 0.000 0.267 421 N C 0.709 176.264 175.510 0.075 0.000 1.208 421 N CA 0.219 53.316 53.050 0.078 0.000 0.951 421 N CB 0.420 38.992 38.487 0.142 0.000 1.227 421 N HN 0.105 nan 8.380 nan 0.000 0.488 422 T N -0.281 114.315 114.554 0.071 0.000 3.022 422 T HA 0.114 4.461 4.350 -0.005 0.000 0.250 422 T C 0.567 175.285 174.700 0.030 0.000 1.060 422 T CA -0.277 61.860 62.100 0.063 0.000 1.013 422 T CB -0.181 68.733 68.868 0.078 0.000 0.982 422 T HN 0.450 nan 8.240 nan 0.000 0.508 423 E N 3.461 123.682 120.200 0.036 0.000 2.366 423 E HA 0.262 4.608 4.350 -0.005 0.000 0.266 423 E C -2.506 174.086 176.600 -0.013 0.000 1.015 423 E CA -1.953 54.448 56.400 0.002 0.000 0.906 423 E CB 0.200 29.919 29.700 0.033 0.000 0.979 423 E HN 0.171 nan 8.360 nan 0.000 0.443 424 P HA -0.119 nan 4.420 nan 0.000 0.261 424 P C -0.914 176.415 177.300 0.049 0.000 1.165 424 P CA 0.333 63.343 63.100 -0.150 0.000 0.759 424 P CB 0.134 31.559 31.700 -0.459 0.000 0.772 425 F N 4.989 124.914 119.950 -0.041 0.000 2.495 425 F HA 0.181 4.706 4.527 -0.003 0.000 0.365 425 F C -0.132 175.675 175.800 0.011 0.000 1.090 425 F CA -0.067 57.922 58.000 -0.018 0.000 1.235 425 F CB 0.489 39.476 39.000 -0.022 0.000 1.119 425 F HN -0.003 nan 8.300 nan 0.000 0.562 426 V N 6.275 125.907 119.914 -0.470 0.000 2.384 426 V HA 0.596 4.713 4.120 -0.005 0.000 0.287 426 V C -0.003 175.796 176.094 -0.493 0.000 1.020 426 V CA -0.248 61.855 62.300 -0.328 0.000 0.850 426 V CB 1.107 32.782 31.823 -0.247 0.000 0.987 426 V HN 0.966 nan 8.190 nan 0.000 0.436 427 T N 2.753 117.161 114.554 -0.243 0.000 2.653 427 T HA 0.407 4.754 4.350 -0.005 0.000 0.306 427 T C -0.789 173.935 174.700 0.041 0.000 1.426 427 T CA -0.298 61.694 62.100 -0.180 0.000 1.008 427 T CB 1.900 70.629 68.868 -0.231 0.000 1.692 427 T HN 0.534 nan 8.240 nan 0.000 0.483 428 S N 0.976 116.714 115.700 0.064 0.000 2.554 428 S HA 0.619 5.085 4.470 -0.005 0.000 0.278 428 S C -0.254 174.449 174.600 0.172 0.000 1.242 428 S CA -0.607 57.694 58.200 0.169 0.000 1.051 428 S CB 0.411 63.668 63.200 0.094 0.000 0.986 428 S HN 0.496 nan 8.310 nan 0.000 0.502 429 I N 2.885 123.588 120.570 0.222 0.000 2.307 429 I HA 0.233 4.400 4.170 -0.005 0.000 0.287 429 I C -0.575 175.686 176.117 0.240 0.000 1.054 429 I CA -0.591 60.817 61.300 0.179 0.000 1.218 429 I CB 0.736 38.767 38.000 0.053 0.000 1.398 429 I HN 0.237 nan 8.210 nan 0.000 0.475 430 V N 5.990 125.988 119.914 0.140 0.000 2.530 430 V HA 0.528 4.645 4.120 -0.005 0.000 0.282 430 V C 0.862 177.023 176.094 0.112 0.000 1.048 430 V CA 0.145 62.479 62.300 0.056 0.000 0.997 430 V CB 1.102 32.767 31.823 -0.263 0.000 0.987 430 V HN 0.931 nan 8.190 nan 0.000 0.477 431 G N 2.855 111.649 108.800 -0.010 0.000 3.291 431 G HA2 0.420 4.377 3.960 -0.005 0.000 0.173 431 G HA3 0.420 4.377 3.960 -0.005 0.000 0.173 431 G C -0.612 174.087 174.900 -0.335 0.000 1.099 431 G CA -0.733 44.065 45.100 -0.504 0.000 0.794 431 G HN 0.426 nan 8.290 nan 0.000 0.651 432 F N 1.590 121.206 119.950 -0.557 0.000 2.623 432 F HA 0.121 4.645 4.527 -0.006 0.000 0.386 432 F C 1.124 176.852 175.800 -0.119 0.000 1.068 432 F CA 0.415 58.243 58.000 -0.287 0.000 1.265 432 F CB 0.153 39.005 39.000 -0.248 0.000 1.026 432 F HN 0.435 nan 8.300 nan 0.000 0.568 433 N N 3.330 121.566 118.700 -0.773 0.000 2.714 433 N HA -0.260 4.477 4.740 -0.005 0.000 0.250 433 N C -0.380 175.019 175.510 -0.184 0.000 1.117 433 N CA 1.436 54.169 53.050 -0.529 0.000 0.719 433 N CB -1.353 36.810 38.487 -0.539 0.000 1.081 433 N HN 0.726 nan 8.380 nan 0.000 0.557 434 D N -1.736 118.612 120.400 -0.085 0.000 2.751 434 D HA -0.219 4.418 4.640 -0.005 0.000 0.233 434 D C 0.016 176.367 176.300 0.086 0.000 1.149 434 D CA 0.917 54.968 54.000 0.084 0.000 0.682 434 D CB -1.177 39.726 40.800 0.171 0.000 1.068 434 D HN 0.525 nan 8.370 nan 0.000 0.429 435 L N -0.620 120.631 121.223 0.047 0.000 2.352 435 L HA 0.503 4.840 4.340 -0.005 0.000 0.269 435 L C 0.622 177.572 176.870 0.133 0.000 1.034 435 L CA -0.750 54.147 54.840 0.096 0.000 0.806 435 L CB 1.825 43.956 42.059 0.120 0.000 1.244 435 L HN 0.029 nan 8.230 nan 0.000 0.447 436 c N 1.911 120.605 118.600 0.156 0.000 2.351 436 c HA 0.458 5.024 4.570 -0.005 0.000 0.326 436 c C 0.520 174.746 174.090 0.227 0.000 1.272 436 c CA -0.924 55.517 56.329 0.187 0.000 1.650 436 c CB 1.061 43.660 42.510 0.148 0.000 2.257 436 c HN 0.705 nan 8.230 nan 0.000 0.505 437 M N 3.267 123.033 119.600 0.277 0.000 2.261 437 M HA 0.046 4.522 4.480 -0.005 0.000 0.350 437 M C 0.054 176.587 176.300 0.389 0.000 1.343 437 M CA 1.310 56.759 55.300 0.248 0.000 1.003 437 M CB 0.077 32.657 32.600 -0.033 0.000 1.848 437 M HN 0.678 nan 8.290 nan 0.000 0.456 438 Q N 2.087 122.008 119.800 0.203 0.000 2.305 438 Q HA 0.605 4.942 4.340 -0.005 0.000 0.271 438 Q C -1.435 174.552 176.000 -0.021 0.000 1.046 438 Q CA -0.671 55.166 55.803 0.056 0.000 0.798 438 Q CB 2.191 30.831 28.738 -0.163 0.000 1.286 438 Q HN 0.828 nan 8.270 nan 0.000 0.435 439 A N 3.990 126.779 122.820 -0.051 0.000 2.451 439 A HA 0.333 4.649 4.320 -0.005 0.000 0.266 439 A C -0.708 176.741 177.584 -0.225 0.000 1.119 439 A CA -0.196 51.779 52.037 -0.104 0.000 0.786 439 A CB 0.043 18.882 19.000 -0.268 0.000 1.061 439 A HN 0.727 nan 8.150 nan 0.000 0.503 440 N N 2.665 121.218 118.700 -0.245 0.000 2.682 440 N HA 0.407 5.144 4.740 -0.005 0.000 0.252 440 N C 0.938 176.396 175.510 -0.087 0.000 1.081 440 N CA 0.559 53.458 53.050 -0.251 0.000 0.844 440 N CB 1.303 39.470 38.487 -0.534 0.000 1.167 440 N HN 1.049 nan 8.380 nan 0.000 0.523 441 G N 2.812 111.578 108.800 -0.056 0.000 2.672 441 G HA2 -0.387 3.570 3.960 -0.005 0.000 0.332 441 G HA3 -0.387 3.570 3.960 -0.005 0.000 0.332 441 G C 0.284 175.192 174.900 0.014 0.000 1.213 441 G CA 0.826 45.919 45.100 -0.011 0.000 0.980 441 G HN 0.495 nan 8.290 nan 0.000 0.548 442 D N 2.352 122.779 120.400 0.045 0.000 2.328 442 D HA 0.541 5.178 4.640 -0.005 0.000 0.221 442 D C 0.951 177.305 176.300 0.090 0.000 1.072 442 D CA 1.025 55.061 54.000 0.061 0.000 0.850 442 D CB 0.360 41.196 40.800 0.061 0.000 0.922 442 D HN 0.792 nan 8.370 nan 0.000 0.516 443 A N 0.403 123.285 122.820 0.104 0.000 2.380 443 A HA 0.721 5.038 4.320 -0.005 0.000 0.315 443 A C -0.636 177.009 177.584 0.102 0.000 1.101 443 A CA -0.620 51.517 52.037 0.166 0.000 0.771 443 A CB 2.216 21.412 19.000 0.325 0.000 1.287 443 A HN 0.061 nan 8.150 nan 0.000 0.436 444 M N 2.029 121.718 119.600 0.148 0.000 2.464 444 M HA 0.707 5.184 4.480 -0.005 0.000 0.308 444 M C -2.083 174.367 176.300 0.249 0.000 1.127 444 M CA -0.404 54.948 55.300 0.086 0.000 0.913 444 M CB 1.797 34.426 32.600 0.047 0.000 1.689 444 M HN 1.046 nan 8.290 nan 0.000 0.445 445 W N 3.488 124.829 121.300 0.069 0.000 3.059 445 W HA 0.585 5.243 4.660 -0.003 0.000 0.329 445 W C -1.930 174.665 176.519 0.127 0.000 1.246 445 W CA -1.164 56.233 57.345 0.086 0.000 1.190 445 W CB -0.255 29.255 29.460 0.082 0.000 1.423 445 W HN 0.571 nan 8.180 nan 0.000 0.571 446 V N 1.490 121.687 119.914 0.471 0.000 2.432 446 V HA 0.719 4.836 4.120 -0.005 0.000 0.271 446 V C -0.730 175.585 176.094 0.369 0.000 1.046 446 V CA -0.467 62.043 62.300 0.350 0.000 0.945 446 V CB 0.392 32.431 31.823 0.360 0.000 0.992 446 V HN 0.697 nan 8.190 nan 0.000 0.471 447 V N 4.126 124.169 119.914 0.215 0.000 3.113 447 V HA 0.466 4.583 4.120 -0.005 0.000 0.316 447 V C 0.230 176.408 176.094 0.140 0.000 1.125 447 V CA -0.752 61.665 62.300 0.195 0.000 1.026 447 V CB 2.028 33.907 31.823 0.094 0.000 1.080 447 V HN 1.146 nan 8.190 nan 0.000 0.444 448 E N 1.885 122.156 120.200 0.119 0.000 2.417 448 E HA -0.015 4.332 4.350 -0.005 0.000 0.261 448 E C -0.504 176.141 176.600 0.074 0.000 1.000 448 E CA -0.296 56.157 56.400 0.088 0.000 0.919 448 E CB 0.545 30.288 29.700 0.072 0.000 0.955 448 E HN 0.710 nan 8.360 nan 0.000 0.455 449 c N 4.621 123.268 118.600 0.079 0.000 2.596 449 c HA 0.136 4.703 4.570 -0.005 0.000 0.414 449 c C 0.611 174.731 174.090 0.050 0.000 1.396 449 c CA 0.192 56.566 56.329 0.076 0.000 1.698 449 c CB -0.888 41.685 42.510 0.105 0.000 2.572 449 c HN 0.750 nan 8.230 nan 0.000 0.604 450 E N 1.310 121.531 120.200 0.034 0.000 2.343 450 E HA 0.186 4.533 4.350 -0.005 0.000 0.286 450 E C 0.444 177.044 176.600 -0.001 0.000 0.915 450 E CA -0.123 56.286 56.400 0.014 0.000 0.784 450 E CB 1.650 31.355 29.700 0.009 0.000 1.251 450 E HN 0.724 nan 8.360 nan 0.000 0.407 451 S N 2.339 118.036 115.700 -0.006 0.000 2.355 451 S HA -0.131 4.336 4.470 -0.005 0.000 0.222 451 S C 1.741 176.320 174.600 -0.036 0.000 1.031 451 S CA 1.257 59.447 58.200 -0.016 0.000 0.993 451 S CB -0.237 62.954 63.200 -0.015 0.000 0.859 451 S HN 0.371 nan 8.310 nan 0.000 0.453 452 S N 1.522 117.200 115.700 -0.035 0.000 2.520 452 S HA -0.091 4.376 4.470 -0.005 0.000 0.249 452 S C 0.988 175.552 174.600 -0.060 0.000 0.983 452 S CA 1.014 59.186 58.200 -0.046 0.000 0.958 452 S CB -0.540 62.638 63.200 -0.036 0.000 0.750 452 S HN 0.575 nan 8.310 nan 0.000 0.527 453 K N -0.791 119.572 120.400 -0.062 0.000 8.640 453 K HA -0.366 3.950 4.320 -0.005 0.000 0.409 453 K C 1.540 178.079 176.600 -0.101 0.000 0.538 453 K CA 1.689 57.924 56.287 -0.087 0.000 1.437 453 K CB -2.109 30.320 32.500 -0.118 0.000 0.799 453 K HN 0.414 nan 8.250 nan 0.000 1.060 454 A N 1.762 124.518 122.820 -0.106 0.000 2.178 454 A HA -0.116 4.201 4.320 -0.005 0.000 0.218 454 A C 1.832 179.301 177.584 -0.192 0.000 1.157 454 A CA 2.033 53.997 52.037 -0.122 0.000 0.689 454 A CB -0.404 18.560 19.000 -0.061 0.000 0.787 454 A HN 0.546 nan 8.150 nan 0.000 0.465 455 E N 0.021 120.097 120.200 -0.208 0.000 2.347 455 E HA -0.114 4.233 4.350 -0.005 0.000 0.196 455 E C 1.770 178.117 176.600 -0.422 0.000 1.008 455 E CA 0.893 57.111 56.400 -0.302 0.000 0.852 455 E CB -0.104 29.462 29.700 -0.224 0.000 0.783 455 E HN 0.724 nan 8.360 nan 0.000 0.505 456 Q N 0.136 119.767 119.800 -0.281 0.000 2.360 456 Q HA 0.096 4.432 4.340 -0.005 0.000 0.202 456 Q C -0.105 175.754 176.000 -0.234 0.000 0.915 456 Q CA 0.289 55.996 55.803 -0.159 0.000 0.943 456 Q CB 0.376 29.095 28.738 -0.031 0.000 1.064 456 Q HN 0.129 nan 8.270 nan 0.000 0.511 457 K N 0.358 120.503 120.400 -0.424 0.000 2.143 457 K HA 0.295 4.612 4.320 -0.005 0.000 0.272 457 K C -1.169 175.097 176.600 -0.556 0.000 1.001 457 K CA -0.059 56.022 56.287 -0.344 0.000 0.915 457 K CB 0.861 33.165 32.500 -0.327 0.000 1.047 457 K HN -0.068 nan 8.250 nan 0.000 0.458 458 W N 0.490 121.785 121.300 -0.007 0.000 2.998 458 W HA 0.433 5.092 4.660 -0.002 0.000 0.335 458 W C -0.823 175.743 176.519 0.079 0.000 1.110 458 W CA -0.816 56.561 57.345 0.053 0.000 1.230 458 W CB 1.725 31.217 29.460 0.053 0.000 1.405 458 W HN 0.511 nan 8.180 nan 0.000 0.493 459 A N 3.925 126.990 122.820 0.409 0.000 2.252 459 A HA 0.688 5.004 4.320 -0.005 0.000 0.309 459 A C -0.824 177.020 177.584 0.433 0.000 1.285 459 A CA -0.605 51.646 52.037 0.356 0.000 0.900 459 A CB 0.111 19.366 19.000 0.425 0.000 1.157 459 A HN 0.711 nan 8.150 nan 0.000 0.536 460 L N 3.905 125.319 121.223 0.319 0.000 2.328 460 L HA 0.243 4.580 4.340 -0.005 0.000 0.280 460 L C -0.623 176.409 176.870 0.271 0.000 1.111 460 L CA -0.334 54.714 54.840 0.346 0.000 0.909 460 L CB -0.563 41.685 42.059 0.315 0.000 1.277 460 L HN 0.671 nan 8.230 nan 0.000 0.433 461 Y N 4.019 124.433 120.300 0.190 0.000 2.379 461 Y HA 0.064 4.610 4.550 -0.006 0.000 0.337 461 Y C -0.953 175.020 175.900 0.122 0.000 1.238 461 Y CA -1.158 57.024 58.100 0.136 0.000 1.405 461 Y CB 0.585 39.104 38.460 0.099 0.000 1.310 461 Y HN 0.428 nan 8.280 nan 0.000 0.569 462 P HA -0.160 nan 4.420 nan 0.000 0.222 462 P C 0.216 177.586 177.300 0.118 0.000 1.147 462 P CA 1.556 64.739 63.100 0.138 0.000 0.790 462 P CB 0.100 31.870 31.700 0.117 0.000 0.780 463 D N -2.230 118.227 120.400 0.095 0.000 2.340 463 D HA 0.184 4.821 4.640 -0.005 0.000 0.217 463 D C 1.368 177.677 176.300 0.015 0.000 1.081 463 D CA 0.241 54.214 54.000 -0.045 0.000 0.842 463 D CB -0.676 40.035 40.800 -0.148 0.000 0.934 463 D HN 0.212 nan 8.370 nan 0.000 0.511 464 G N 0.059 108.931 108.800 0.121 0.000 2.176 464 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.232 464 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.232 464 G C 0.320 175.329 174.900 0.183 0.000 0.986 464 G CA 0.196 45.377 45.100 0.135 0.000 0.643 464 G HN 0.751 nan 8.290 nan 0.000 0.522 465 S N 0.391 116.211 115.700 0.201 0.000 2.616 465 S HA 0.804 5.271 4.470 -0.005 0.000 0.277 465 S C 0.047 174.825 174.600 0.296 0.000 1.234 465 S CA -0.875 57.464 58.200 0.231 0.000 1.028 465 S CB 1.990 65.247 63.200 0.094 0.000 0.988 465 S HN 0.508 nan 8.310 nan 0.000 0.522 466 I N 1.997 122.722 120.570 0.257 0.000 2.355 466 I HA 0.439 4.606 4.170 -0.005 0.000 0.288 466 I C 0.210 176.484 176.117 0.262 0.000 0.999 466 I CA -0.452 60.981 61.300 0.221 0.000 1.163 466 I CB 0.952 38.918 38.000 -0.056 0.000 1.316 466 I HN 0.705 nan 8.210 nan 0.000 0.454 467 R N 6.186 126.919 120.500 0.389 0.000 2.637 467 R HA 0.527 4.864 4.340 -0.005 0.000 0.291 467 R C -2.640 173.921 176.300 0.435 0.000 0.963 467 R CA -1.894 54.409 56.100 0.338 0.000 0.901 467 R CB 1.736 32.092 30.300 0.094 0.000 1.160 467 R HN 0.262 nan 8.270 nan 0.000 0.457 468 P HA -0.070 nan 4.420 nan 0.000 0.264 468 P C 0.089 177.321 177.300 -0.113 0.000 1.193 468 P CA 0.272 63.208 63.100 -0.272 0.000 0.763 468 P CB 0.463 31.991 31.700 -0.287 0.000 0.810 469 H N 4.280 123.191 119.070 -0.265 0.000 2.292 469 H HA -0.243 4.308 4.556 -0.009 0.000 0.292 469 H C 1.441 176.705 175.328 -0.106 0.000 1.100 469 H CA 2.596 58.558 56.048 -0.143 0.000 1.238 469 H CB -0.048 29.603 29.762 -0.185 0.000 1.355 469 H HN 0.504 nan 8.280 nan 0.000 0.484 470 Q N -1.147 118.518 119.800 -0.225 0.000 2.360 470 Q HA 0.080 4.416 4.340 -0.005 0.000 0.202 470 Q C -0.459 175.439 176.000 -0.169 0.000 0.915 470 Q CA 0.489 56.146 55.803 -0.243 0.000 0.943 470 Q CB 0.818 29.461 28.738 -0.159 0.000 1.064 470 Q HN 0.295 nan 8.270 nan 0.000 0.511 471 D N 0.641 120.959 120.400 -0.138 0.000 2.328 471 D HA 0.214 4.850 4.640 -0.005 0.000 0.243 471 D C -0.464 175.798 176.300 -0.063 0.000 1.324 471 D CA -0.302 53.643 54.000 -0.092 0.000 0.966 471 D CB 0.930 41.684 40.800 -0.076 0.000 1.324 471 D HN 0.044 nan 8.370 nan 0.000 0.549 472 R N 1.072 121.536 120.500 -0.060 0.000 2.356 472 R HA 0.125 4.461 4.340 -0.005 0.000 0.234 472 R C 0.435 176.671 176.300 -0.106 0.000 0.929 472 R CA 0.093 56.160 56.100 -0.054 0.000 1.084 472 R CB 0.651 30.967 30.300 0.027 0.000 1.105 472 R HN 0.149 nan 8.270 nan 0.000 0.515 473 D N -0.032 120.322 120.400 -0.076 0.000 2.367 473 D HA 0.047 4.684 4.640 -0.005 0.000 0.207 473 D C 0.108 176.372 176.300 -0.060 0.000 1.034 473 D CA 0.585 54.542 54.000 -0.073 0.000 0.861 473 D CB 0.483 41.253 40.800 -0.050 0.000 0.943 473 D HN 0.026 nan 8.370 nan 0.000 0.515 474 R N -0.567 119.908 120.500 -0.042 0.000 2.664 474 R HA 0.600 4.937 4.340 -0.005 0.000 0.286 474 R C -0.868 175.444 176.300 0.019 0.000 0.967 474 R CA -0.449 55.647 56.100 -0.007 0.000 0.933 474 R CB 2.189 32.495 30.300 0.010 0.000 1.146 474 R HN -0.079 nan 8.270 nan 0.000 0.468 475 c N 1.977 120.604 118.600 0.044 0.000 2.707 475 c HA 0.398 4.965 4.570 -0.005 0.000 0.313 475 c C -0.743 173.411 174.090 0.106 0.000 1.209 475 c CA -0.775 55.598 56.329 0.074 0.000 1.635 475 c CB 1.429 43.967 42.510 0.046 0.000 2.206 475 c HN 0.593 nan 8.230 nan 0.000 0.485 476 L N 3.283 124.565 121.223 0.098 0.000 2.407 476 L HA 0.331 4.668 4.340 -0.005 0.000 0.282 476 L C 0.358 177.324 176.870 0.160 0.000 1.110 476 L CA 1.246 56.081 54.840 -0.008 0.000 0.863 476 L CB -0.050 41.827 42.059 -0.304 0.000 1.207 476 L HN 0.795 nan 8.230 nan 0.000 0.454 477 T N 1.856 116.496 114.554 0.142 0.000 2.863 477 T HA 0.365 4.712 4.350 -0.005 0.000 0.285 477 T C 0.101 174.924 174.700 0.204 0.000 1.009 477 T CA -0.654 61.577 62.100 0.218 0.000 0.989 477 T CB 1.462 70.406 68.868 0.126 0.000 1.004 477 T HN 0.392 nan 8.240 nan 0.000 0.455 478 S N 2.092 117.954 115.700 0.271 0.000 2.533 478 S HA 0.092 4.559 4.470 -0.005 0.000 0.282 478 S C 1.577 176.253 174.600 0.127 0.000 1.304 478 S CA -0.336 57.983 58.200 0.199 0.000 1.063 478 S CB 0.671 63.988 63.200 0.195 0.000 0.881 478 S HN 0.767 nan 8.310 nan 0.000 0.493 479 T N 2.000 116.619 114.554 0.108 0.000 2.652 479 T HA -0.140 4.207 4.350 -0.005 0.000 0.267 479 T C 0.606 175.360 174.700 0.090 0.000 1.039 479 T CA 1.484 63.637 62.100 0.088 0.000 1.153 479 T CB -0.116 68.800 68.868 0.079 0.000 0.863 479 T HN 0.650 nan 8.240 nan 0.000 0.428 480 D N -0.436 120.025 120.400 0.102 0.000 2.602 480 D HA 0.287 4.924 4.640 -0.005 0.000 0.245 480 D C 0.114 176.491 176.300 0.129 0.000 1.325 480 D CA -0.473 53.599 54.000 0.120 0.000 0.952 480 D CB 0.758 41.622 40.800 0.107 0.000 1.317 480 D HN -0.230 nan 8.370 nan 0.000 0.577 481 N N 1.355 120.124 118.700 0.115 0.000 2.381 481 N HA -0.104 4.632 4.740 -0.005 0.000 0.182 481 N C 1.259 176.745 175.510 -0.040 0.000 1.025 481 N CA 0.967 54.024 53.050 0.012 0.000 0.888 481 N CB 0.056 38.488 38.487 -0.092 0.000 0.965 481 N HN 0.503 nan 8.380 nan 0.000 0.438 482 H N -1.730 117.348 119.070 0.012 0.000 2.502 482 H HA 0.160 4.712 4.556 -0.006 0.000 0.283 482 H C 0.098 175.433 175.328 0.012 0.000 1.015 482 H CA 0.437 56.489 56.048 0.007 0.000 1.298 482 H CB 0.292 30.058 29.762 0.007 0.000 1.411 482 H HN 0.017 nan 8.280 nan 0.000 0.556 483 S N 1.468 117.250 115.700 0.138 0.000 2.422 483 S HA 0.071 4.537 4.470 -0.005 0.000 0.298 483 S C 0.087 174.741 174.600 0.089 0.000 1.118 483 S CA -0.502 57.757 58.200 0.099 0.000 1.083 483 S CB 1.678 64.936 63.200 0.098 0.000 0.971 483 S HN 0.373 nan 8.310 nan 0.000 0.478 484 Q N 2.386 122.220 119.800 0.057 0.000 2.289 484 Q HA 0.391 4.727 4.340 -0.005 0.000 0.273 484 Q C 0.987 177.103 176.000 0.193 0.000 1.029 484 Q CA 0.839 56.676 55.803 0.056 0.000 0.896 484 Q CB 0.092 28.760 28.738 -0.116 0.000 1.182 484 Q HN 0.995 nan 8.270 nan 0.000 0.385 485 G N 2.581 111.580 108.800 0.331 0.000 2.179 485 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.220 485 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.220 485 G C 0.129 175.150 174.900 0.201 0.000 0.990 485 G CA 0.082 45.411 45.100 0.382 0.000 0.646 485 G HN 0.702 nan 8.290 nan 0.000 0.517 486 S N 0.547 116.347 115.700 0.168 0.000 2.544 486 S HA 0.378 4.845 4.470 -0.005 0.000 0.290 486 S C 0.755 175.423 174.600 0.113 0.000 1.276 486 S CA 0.166 58.441 58.200 0.126 0.000 1.075 486 S CB 0.070 63.343 63.200 0.123 0.000 0.849 486 S HN 1.458 nan 8.310 nan 0.000 0.494 487 I N 6.445 127.068 120.570 0.088 0.000 2.556 487 I HA 0.348 4.515 4.170 -0.005 0.000 0.284 487 I C -0.370 175.792 176.117 0.074 0.000 1.114 487 I CA 0.111 61.455 61.300 0.074 0.000 1.418 487 I CB 0.199 38.238 38.000 0.065 0.000 1.394 487 I HN 0.560 nan 8.210 nan 0.000 0.552 488 I N 8.729 129.326 120.570 0.046 0.000 2.396 488 I HA 0.261 4.428 4.170 -0.005 0.000 0.289 488 I C 0.488 176.616 176.117 0.019 0.000 1.056 488 I CA -0.120 61.188 61.300 0.014 0.000 1.365 488 I CB 0.163 38.087 38.000 -0.126 0.000 1.407 488 I HN 0.648 nan 8.210 nan 0.000 0.509 489 I N 4.190 124.788 120.570 0.047 0.000 3.237 489 I HA 0.592 4.759 4.170 -0.005 0.000 0.308 489 I C -0.630 175.521 176.117 0.057 0.000 1.093 489 I CA -1.097 60.241 61.300 0.063 0.000 1.001 489 I CB 1.860 39.907 38.000 0.078 0.000 1.245 489 I HN 0.264 nan 8.210 nan 0.000 0.485 490 I N 2.310 122.926 120.570 0.077 0.000 2.297 490 I HA 0.360 4.527 4.170 -0.005 0.000 0.291 490 I C 0.096 176.254 176.117 0.068 0.000 1.033 490 I CA 0.118 61.471 61.300 0.088 0.000 1.253 490 I CB 1.148 39.217 38.000 0.115 0.000 1.396 490 I HN 0.594 nan 8.210 nan 0.000 0.476 491 S N 3.839 119.576 115.700 0.062 0.000 2.667 491 S HA 0.409 4.876 4.470 -0.005 0.000 0.292 491 S C -0.292 174.326 174.600 0.031 0.000 1.126 491 S CA -0.534 57.693 58.200 0.045 0.000 0.881 491 S CB 1.950 65.178 63.200 0.047 0.000 1.132 491 S HN 0.587 nan 8.310 nan 0.000 0.492 492 S N 1.188 116.898 115.700 0.016 0.000 2.702 492 S HA -0.054 4.412 4.470 -0.005 0.000 0.314 492 S C 1.281 175.878 174.600 -0.006 0.000 1.244 492 S CA -0.099 58.101 58.200 -0.000 0.000 1.058 492 S CB -0.693 62.506 63.200 -0.002 0.000 0.783 492 S HN 0.747 nan 8.310 nan 0.000 0.503 493 c N 4.417 123.000 118.600 -0.027 0.000 2.491 493 c HA 0.023 4.590 4.570 -0.005 0.000 0.277 493 c C 2.830 176.894 174.090 -0.044 0.000 1.455 493 c CA 0.594 56.896 56.329 -0.045 0.000 1.758 493 c CB -2.016 40.437 42.510 -0.094 0.000 1.745 493 c HN 1.001 nan 8.230 nan 0.000 0.558 494 S N 1.970 117.651 115.700 -0.032 0.000 2.383 494 S HA -0.112 4.355 4.470 -0.005 0.000 0.229 494 S C -0.266 174.319 174.600 -0.024 0.000 1.030 494 S CA 1.642 59.825 58.200 -0.028 0.000 1.002 494 S CB -0.855 62.333 63.200 -0.019 0.000 0.829 494 S HN 0.521 nan 8.310 nan 0.000 0.467 495 P HA 0.133 nan 4.420 nan 0.000 0.220 495 P C 0.930 178.214 177.300 -0.028 0.000 1.148 495 P CA 1.041 64.132 63.100 -0.015 0.000 0.803 495 P CB -0.631 31.066 31.700 -0.004 0.000 0.782 496 G N 0.737 109.513 108.800 -0.041 0.000 2.412 496 G HA2 -0.221 3.736 3.960 -0.005 0.000 0.297 496 G HA3 -0.221 3.736 3.960 -0.005 0.000 0.297 496 G C 0.363 175.227 174.900 -0.060 0.000 0.965 496 G CA 0.403 45.466 45.100 -0.062 0.000 1.134 496 G HN 0.549 nan 8.290 nan 0.000 0.511 497 S N -1.358 114.312 115.700 -0.050 0.000 2.671 497 S HA 0.577 5.044 4.470 -0.005 0.000 0.272 497 S C 1.264 175.807 174.600 -0.094 0.000 1.174 497 S CA 0.271 58.441 58.200 -0.050 0.000 1.004 497 S CB 1.098 64.284 63.200 -0.022 0.000 1.077 497 S HN 0.265 nan 8.310 nan 0.000 0.553 498 E N 1.023 121.166 120.200 -0.093 0.000 2.085 498 E HA 0.044 4.391 4.350 -0.005 0.000 0.194 498 E C 1.813 178.243 176.600 -0.283 0.000 0.994 498 E CA 1.424 57.732 56.400 -0.154 0.000 0.801 498 E CB -0.883 28.739 29.700 -0.130 0.000 0.743 498 E HN 0.824 nan 8.360 nan 0.000 0.453 499 G N -0.110 108.569 108.800 -0.202 0.000 3.234 499 G HA2 -0.129 3.828 3.960 -0.005 0.000 0.221 499 G HA3 -0.129 3.828 3.960 -0.005 0.000 0.221 499 G C 0.608 175.418 174.900 -0.150 0.000 1.229 499 G CA -0.051 44.926 45.100 -0.205 0.000 0.909 499 G HN 0.153 nan 8.290 nan 0.000 0.510 500 Q N -1.048 118.601 119.800 -0.252 0.000 2.140 500 Q HA 0.206 4.543 4.340 -0.005 0.000 0.227 500 Q C 0.682 176.530 176.000 -0.253 0.000 0.798 500 Q CA -0.342 55.410 55.803 -0.085 0.000 0.987 500 Q CB 1.280 30.008 28.738 -0.015 0.000 1.161 500 Q HN 0.165 nan 8.270 nan 0.000 0.480 501 R N 0.167 120.309 120.500 -0.596 0.000 2.393 501 R HA 0.406 4.743 4.340 -0.005 0.000 0.310 501 R C -1.774 173.929 176.300 -0.995 0.000 0.968 501 R CA -0.119 55.664 56.100 -0.527 0.000 0.867 501 R CB 0.843 30.973 30.300 -0.284 0.000 1.124 501 R HN -0.025 nan 8.270 nan 0.000 0.450 502 W N 2.460 123.692 121.300 -0.113 0.000 3.138 502 W HA 0.441 5.098 4.660 -0.006 0.000 0.331 502 W C -1.081 175.307 176.519 -0.219 0.000 1.166 502 W CA -0.756 56.454 57.345 -0.224 0.000 1.212 502 W CB 1.946 31.196 29.460 -0.350 0.000 1.399 502 W HN 0.082 nan 8.180 nan 0.000 0.514 503 V N 2.647 122.549 119.914 -0.019 0.000 2.588 503 V HA 0.422 4.539 4.120 -0.005 0.000 0.304 503 V C -0.786 175.275 176.094 -0.056 0.000 1.042 503 V CA -1.141 61.161 62.300 0.004 0.000 0.877 503 V CB 1.301 33.147 31.823 0.038 0.000 0.996 503 V HN 0.323 nan 8.190 nan 0.000 0.425 504 F N 4.796 124.811 119.950 0.108 0.000 2.421 504 F HA 0.505 5.029 4.527 -0.005 0.000 0.358 504 F C 0.573 176.424 175.800 0.086 0.000 1.115 504 F CA -0.074 57.984 58.000 0.098 0.000 1.160 504 F CB 0.816 39.875 39.000 0.099 0.000 1.123 504 F HN 0.203 nan 8.300 nan 0.000 0.508 505 M N 2.580 122.316 119.600 0.227 0.000 2.478 505 M HA 0.146 4.622 4.480 -0.005 0.000 0.327 505 M C 1.344 177.722 176.300 0.131 0.000 1.187 505 M CA -0.359 55.029 55.300 0.147 0.000 1.022 505 M CB 1.494 34.153 32.600 0.099 0.000 1.629 505 M HN 0.602 nan 8.290 nan 0.000 0.461 506 N N 1.140 119.897 118.700 0.095 0.000 2.192 506 N HA -0.200 4.536 4.740 -0.005 0.000 0.188 506 N C 0.539 176.081 175.510 0.053 0.000 1.013 506 N CA 1.549 54.639 53.050 0.067 0.000 0.863 506 N CB 0.163 38.683 38.487 0.054 0.000 0.990 506 N HN 0.560 nan 8.380 nan 0.000 0.430 507 D N -0.118 120.317 120.400 0.058 0.000 2.276 507 D HA -0.170 4.467 4.640 -0.005 0.000 0.200 507 D C 1.303 177.642 176.300 0.066 0.000 1.004 507 D CA 1.682 55.716 54.000 0.056 0.000 0.898 507 D CB -0.642 40.199 40.800 0.069 0.000 0.906 507 D HN 0.586 nan 8.370 nan 0.000 0.457 508 G N -1.044 107.811 108.800 0.092 0.000 2.176 508 G HA2 -0.272 3.684 3.960 -0.005 0.000 0.253 508 G HA3 -0.272 3.684 3.960 -0.005 0.000 0.253 508 G C 0.554 175.574 174.900 0.199 0.000 0.979 508 G CA 0.951 46.122 45.100 0.118 0.000 0.641 508 G HN 0.638 nan 8.290 nan 0.000 0.530 509 T N -1.172 113.499 114.554 0.195 0.000 2.902 509 T HA 0.726 5.072 4.350 -0.005 0.000 0.280 509 T C 0.360 175.185 174.700 0.207 0.000 0.992 509 T CA -0.817 61.434 62.100 0.252 0.000 1.015 509 T CB 2.029 70.999 68.868 0.169 0.000 1.044 509 T HN 0.506 nan 8.240 nan 0.000 0.520 510 I N 2.248 122.905 120.570 0.144 0.000 2.306 510 I HA 0.309 4.475 4.170 -0.005 0.000 0.288 510 I C -0.413 175.710 176.117 0.010 0.000 1.036 510 I CA -0.909 60.309 61.300 -0.138 0.000 1.221 510 I CB 1.155 38.816 38.000 -0.564 0.000 1.385 510 I HN 0.480 nan 8.210 nan 0.000 0.472 511 L N 7.596 128.840 121.223 0.034 0.000 2.357 511 L HA 0.377 4.714 4.340 -0.005 0.000 0.273 511 L C 0.094 177.004 176.870 0.066 0.000 1.080 511 L CA 0.135 55.009 54.840 0.057 0.000 0.803 511 L CB 0.977 43.036 42.059 0.000 0.000 1.174 511 L HN 0.506 nan 8.230 nan 0.000 0.443 512 N N 4.799 123.497 118.700 -0.004 0.000 2.457 512 N HA 0.270 5.006 4.740 -0.005 0.000 0.250 512 N C -1.174 174.180 175.510 -0.259 0.000 0.982 512 N CA -0.448 52.449 53.050 -0.256 0.000 0.941 512 N CB 0.605 38.895 38.487 -0.329 0.000 1.120 512 N HN 0.568 nan 8.380 nan 0.000 0.505 513 L N 3.591 124.619 121.223 -0.325 0.000 2.416 513 L HA 0.119 4.456 4.340 -0.005 0.000 0.272 513 L C 1.261 177.887 176.870 -0.408 0.000 1.161 513 L CA -0.133 54.426 54.840 -0.467 0.000 0.845 513 L CB 0.538 42.146 42.059 -0.752 0.000 1.119 513 L HN 0.662 nan 8.230 nan 0.000 0.464 514 K N 2.024 122.221 120.400 -0.339 0.000 3.364 514 K HA -0.218 4.099 4.320 -0.005 0.000 0.444 514 K C 0.922 177.438 176.600 -0.141 0.000 0.351 514 K CA 1.817 58.030 56.287 -0.123 0.000 1.959 514 K CB -1.514 30.944 32.500 -0.070 0.000 0.547 514 K HN 0.696 nan 8.250 nan 0.000 0.423 515 N N -0.459 118.137 118.700 -0.173 0.000 2.080 515 N HA 0.030 4.766 4.740 -0.005 0.000 0.189 515 N C 1.159 176.601 175.510 -0.113 0.000 1.036 515 N CA 1.616 54.584 53.050 -0.137 0.000 0.846 515 N CB -0.100 38.319 38.487 -0.114 0.000 1.015 515 N HN 0.615 nan 8.380 nan 0.000 0.423 516 G N -0.318 108.407 108.800 -0.124 0.000 2.179 516 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.260 516 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.260 516 G C -0.227 174.636 174.900 -0.062 0.000 0.977 516 G CA 0.018 45.060 45.100 -0.098 0.000 0.641 516 G HN 0.088 nan 8.290 nan 0.000 0.533 517 L N 0.277 121.474 121.223 -0.043 0.000 2.399 517 L HA 0.795 5.132 4.340 -0.005 0.000 0.265 517 L C 0.750 177.671 176.870 0.085 0.000 1.089 517 L CA -0.930 53.917 54.840 0.013 0.000 0.802 517 L CB 1.760 43.832 42.059 0.022 0.000 1.180 517 L HN -0.004 nan 8.230 nan 0.000 0.454 518 V N 1.936 121.929 119.914 0.132 0.000 2.881 518 V HA 0.444 4.561 4.120 -0.005 0.000 0.316 518 V C 0.298 176.505 176.094 0.188 0.000 1.070 518 V CA -0.911 61.488 62.300 0.164 0.000 0.976 518 V CB 2.008 33.930 31.823 0.164 0.000 1.038 518 V HN 0.662 nan 8.190 nan 0.000 0.446 519 M N 3.561 123.224 119.600 0.105 0.000 2.238 519 M HA 0.277 4.754 4.480 -0.005 0.000 0.347 519 M C -0.471 176.012 176.300 0.305 0.000 1.173 519 M CA 0.659 55.962 55.300 0.004 0.000 1.147 519 M CB 0.287 32.592 32.600 -0.492 0.000 1.547 519 M HN 0.651 nan 8.290 nan 0.000 0.455 520 D N 2.152 122.711 120.400 0.265 0.000 2.977 520 D HA 0.282 4.918 4.640 -0.005 0.000 0.220 520 D C -1.691 174.693 176.300 0.139 0.000 1.267 520 D CA -0.395 53.734 54.000 0.215 0.000 0.884 520 D CB 2.173 43.055 40.800 0.136 0.000 1.667 520 D HN 0.298 nan 8.370 nan 0.000 0.536 521 V N 4.509 124.458 119.914 0.058 0.000 2.408 521 V HA 0.192 4.309 4.120 -0.005 0.000 0.267 521 V C 1.071 177.056 176.094 -0.182 0.000 1.047 521 V CA -0.665 61.621 62.300 -0.023 0.000 0.937 521 V CB 0.811 32.591 31.823 -0.072 0.000 0.999 521 V HN 0.367 nan 8.190 nan 0.000 0.472 522 K N 3.478 123.787 120.400 -0.152 0.000 2.569 522 K HA -0.043 4.274 4.320 -0.005 0.000 0.280 522 K C 1.417 177.856 176.600 -0.268 0.000 0.984 522 K CA 1.045 57.191 56.287 -0.236 0.000 1.064 522 K CB 0.103 32.499 32.500 -0.173 0.000 0.866 522 K HN 1.191 nan 8.250 nan 0.000 0.492 523 G N 2.734 111.341 108.800 -0.321 0.000 2.473 523 G HA2 -0.367 3.590 3.960 -0.005 0.000 0.307 523 G HA3 -0.367 3.590 3.960 -0.005 0.000 0.307 523 G C 0.339 175.074 174.900 -0.275 0.000 0.937 523 G CA 1.065 46.002 45.100 -0.272 0.000 0.947 523 G HN 0.651 nan 8.290 nan 0.000 0.513 524 S N -1.514 113.934 115.700 -0.420 0.000 3.477 524 S HA -0.241 4.225 4.470 -0.005 0.000 0.357 524 S C 0.312 174.707 174.600 -0.343 0.000 1.083 524 S CA 1.374 59.144 58.200 -0.716 0.000 1.042 524 S CB -0.655 62.150 63.200 -0.659 0.000 0.911 524 S HN 0.986 nan 8.310 nan 0.000 0.490 525 D N 0.266 120.548 120.400 -0.197 0.000 2.464 525 D HA 0.446 5.082 4.640 -0.005 0.000 0.243 525 D C -1.690 174.601 176.300 -0.016 0.000 1.104 525 D CA -2.365 51.600 54.000 -0.059 0.000 0.883 525 D CB 1.330 42.077 40.800 -0.088 0.000 1.050 525 D HN 0.010 nan 8.370 nan 0.000 0.524 526 P HA -0.003 nan 4.420 nan 0.000 0.226 526 P C 0.760 178.105 177.300 0.075 0.000 1.153 526 P CA 0.494 63.680 63.100 0.143 0.000 0.777 526 P CB 0.385 32.223 31.700 0.230 0.000 0.794 527 S N -0.968 114.717 115.700 -0.025 0.000 2.603 527 S HA 0.039 4.506 4.470 -0.005 0.000 0.220 527 S C 1.373 175.703 174.600 -0.450 0.000 0.967 527 S CA 0.347 58.448 58.200 -0.166 0.000 0.920 527 S CB -0.520 62.609 63.200 -0.118 0.000 0.773 527 S HN 0.041 nan 8.310 nan 0.000 0.529 528 L N 1.215 122.259 121.223 -0.298 0.000 2.492 528 L HA 0.173 4.510 4.340 -0.005 0.000 0.223 528 L C 0.213 176.874 176.870 -0.349 0.000 1.132 528 L CA 0.754 55.401 54.840 -0.323 0.000 0.850 528 L CB -1.203 40.748 42.059 -0.180 0.000 0.966 528 L HN 0.325 nan 8.230 nan 0.000 0.454 529 H N -0.784 118.053 119.070 -0.387 0.000 2.820 529 H HA -0.190 4.363 4.556 -0.005 0.000 0.295 529 H C 0.205 175.437 175.328 -0.160 0.000 1.187 529 H CA 0.500 56.167 56.048 -0.635 0.000 1.144 529 H CB -2.073 26.943 29.762 -1.244 0.000 1.354 529 H HN 0.456 nan 8.280 nan 0.000 0.395 530 Q N 0.245 120.080 119.800 0.057 0.000 2.290 530 Q HA 0.456 4.793 4.340 -0.005 0.000 0.269 530 Q C -0.299 175.752 176.000 0.085 0.000 1.016 530 Q CA -0.714 55.131 55.803 0.071 0.000 0.754 530 Q CB 2.027 30.764 28.738 -0.002 0.000 1.247 530 Q HN 0.117 nan 8.270 nan 0.000 0.451 531 I N 5.149 125.785 120.570 0.110 0.000 2.321 531 I HA 0.431 4.598 4.170 -0.005 0.000 0.291 531 I C 0.241 176.375 176.117 0.030 0.000 0.998 531 I CA -0.449 60.899 61.300 0.080 0.000 1.227 531 I CB 0.377 38.403 38.000 0.043 0.000 1.368 531 I HN 0.607 nan 8.210 nan 0.000 0.466 532 I N 3.920 124.515 120.570 0.041 0.000 3.436 532 I HA 0.615 4.782 4.170 -0.005 0.000 0.300 532 I C -0.709 175.484 176.117 0.127 0.000 1.131 532 I CA -0.985 60.358 61.300 0.073 0.000 1.001 532 I CB 2.339 40.380 38.000 0.068 0.000 1.305 532 I HN 0.134 nan 8.210 nan 0.000 0.494 533 I N 2.372 123.063 120.570 0.201 0.000 2.339 533 I HA 0.348 4.515 4.170 -0.005 0.000 0.290 533 I C -1.343 174.994 176.117 0.367 0.000 0.994 533 I CA -0.146 61.299 61.300 0.242 0.000 1.191 533 I CB 1.150 39.276 38.000 0.210 0.000 1.343 533 I HN 0.665 nan 8.210 nan 0.000 0.458 534 W N 9.205 130.537 121.300 0.053 0.000 3.372 534 W HA 0.314 4.971 4.660 -0.006 0.000 0.315 534 W C -2.691 173.848 176.519 0.035 0.000 1.223 534 W CA -1.395 55.973 57.345 0.037 0.000 1.202 534 W CB 2.702 32.180 29.460 0.030 0.000 1.367 534 W HN 0.214 nan 8.180 nan 0.000 0.531 535 P HA -0.004 nan 4.420 nan 0.000 0.267 535 P C -0.400 176.898 177.300 -0.003 0.000 1.201 535 P CA 0.388 63.376 63.100 -0.187 0.000 0.775 535 P CB 0.424 31.912 31.700 -0.353 0.000 0.854 536 A N 2.424 125.255 122.820 0.017 0.000 2.484 536 A HA 0.368 4.685 4.320 -0.005 0.000 0.268 536 A C 1.056 178.686 177.584 0.077 0.000 1.114 536 A CA 0.069 52.147 52.037 0.068 0.000 0.780 536 A CB -0.847 18.178 19.000 0.043 0.000 1.061 536 A HN 0.627 nan 8.150 nan 0.000 0.505 537 T N 0.927 115.557 114.554 0.126 0.000 2.810 537 T HA 0.650 4.997 4.350 -0.005 0.000 0.277 537 T C 0.830 175.575 174.700 0.075 0.000 0.973 537 T CA 0.065 62.235 62.100 0.118 0.000 0.949 537 T CB 0.469 69.432 68.868 0.158 0.000 1.075 537 T HN 2.398 nan 8.240 nan 0.000 0.537 538 G N 0.966 109.803 108.800 0.061 0.000 3.226 538 G HA2 -0.205 3.751 3.960 -0.005 0.000 0.668 538 G HA3 -0.205 3.751 3.960 -0.005 0.000 0.668 538 G C 0.143 175.074 174.900 0.053 0.000 1.647 538 G CA 0.302 45.436 45.100 0.057 0.000 1.202 538 G HN 1.116 nan 8.290 nan 0.000 0.598 539 K N 1.887 122.315 120.400 0.047 0.000 2.189 539 K HA 0.246 4.562 4.320 -0.005 0.000 0.218 539 K C -0.385 176.239 176.600 0.041 0.000 1.031 539 K CA 0.820 57.134 56.287 0.045 0.000 0.962 539 K CB -0.853 31.672 32.500 0.042 0.000 1.005 539 K HN 0.397 nan 8.250 nan 0.000 0.459 540 P HA -0.225 nan 4.420 nan 0.000 0.217 540 P C 0.353 177.725 177.300 0.119 0.000 1.148 540 P CA 1.536 64.711 63.100 0.125 0.000 0.828 540 P CB -0.426 31.410 31.700 0.227 0.000 0.783 541 N N -0.223 118.431 118.700 -0.077 0.000 2.501 541 N HA -0.102 4.634 4.740 -0.005 0.000 0.195 541 N C 0.904 176.284 175.510 -0.217 0.000 1.213 541 N CA 0.464 53.299 53.050 -0.357 0.000 0.864 541 N CB -0.345 37.740 38.487 -0.670 0.000 0.999 541 N HN 0.343 nan 8.380 nan 0.000 0.454 542 Q N -0.470 119.255 119.800 -0.125 0.000 2.093 542 Q HA 0.228 4.565 4.340 -0.005 0.000 0.217 542 Q C -0.587 175.361 176.000 -0.087 0.000 0.785 542 Q CA -0.246 55.549 55.803 -0.015 0.000 1.038 542 Q CB 1.083 29.882 28.738 0.102 0.000 1.190 542 Q HN 0.229 nan 8.270 nan 0.000 0.468 543 K N 0.632 120.862 120.400 -0.283 0.000 2.201 543 K HA 0.350 4.667 4.320 -0.005 0.000 0.278 543 K C -1.161 175.140 176.600 -0.499 0.000 1.027 543 K CA 0.080 56.234 56.287 -0.222 0.000 0.909 543 K CB 0.903 33.353 32.500 -0.084 0.000 1.062 543 K HN -0.059 nan 8.250 nan 0.000 0.465 544 W N 2.758 124.101 121.300 0.071 0.000 3.033 544 W HA 0.484 5.140 4.660 -0.006 0.000 0.336 544 W C -1.094 175.477 176.519 0.086 0.000 1.173 544 W CA -0.842 56.553 57.345 0.083 0.000 1.185 544 W CB 1.140 30.666 29.460 0.109 0.000 1.425 544 W HN 0.260 nan 8.180 nan 0.000 0.536 545 L N 4.637 126.024 121.223 0.273 0.000 2.482 545 L HA 0.586 4.923 4.340 -0.005 0.000 0.269 545 L C -2.596 174.333 176.870 0.099 0.000 0.967 545 L CA -2.105 52.799 54.840 0.106 0.000 0.851 545 L CB 1.970 43.997 42.059 -0.054 0.000 1.242 545 L HN 0.047 nan 8.230 nan 0.000 0.404 546 P HA 0.140 nan 4.420 nan 0.000 0.280 546 P C -0.610 176.800 177.300 0.183 0.000 1.300 546 P CA -0.372 62.679 63.100 -0.082 0.000 0.785 546 P CB 0.946 32.304 31.700 -0.570 0.000 0.874 547 L N 5.248 126.563 121.223 0.154 0.000 2.455 547 L HA 0.156 4.493 4.340 -0.005 0.000 0.272 547 L C -0.005 176.946 176.870 0.135 0.000 1.174 547 L CA -0.004 54.939 54.840 0.171 0.000 0.869 547 L CB -0.270 41.816 42.059 0.046 0.000 1.130 547 L HN 0.257 nan 8.230 nan 0.000 0.474 548 L N 0.000 121.171 121.223 -0.086 0.000 2.949 548 L HA 0.000 4.337 4.340 -0.005 0.000 0.249 548 L CA 0.000 54.696 54.840 -0.239 0.000 0.813 548 L CB 0.000 41.593 42.059 -0.777 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502