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 3ib3_1_B DATA FIRST_RESID 4 DATA SEQUENCE HLLGNPKLTV THVNEVKAGI NHIVVDSVQY GNQEXIXEKD GTVEXRDGEK DATA SEQUENCE LYINIFRPNK DGKFPVVXSA DTYGKDNKPX XXXXGALWPT LGTIPTSSFT DATA SEQUENCE PEESPDPGFW VPNDYVVVKV ALRGSDKSKG VLSPWSKREA EDYYEVIEWA DATA SEQUENCE ANQSWSNGNI GTNGVSYLAV TQWWVASLNP PHLKAXIPWE GLNDXYREVA DATA SEQUENCE FHGGIPDTGF YRFWTQGIFA RWTDNPNIED LIQAQQEHPL FDDFWKQRQV DATA SEQUENCE PLSQIKTPLL TCASWSTQGL HNRGSFEGFK QAASEEKWLY VHGRKEWESY DATA SEQUENCE YARENLERQK SFFDFYLKEE NNDWKDTPHV IYEVRDQFYK GEFKSASAFP DATA SEQUENCE LPNAEYTPLY LNAENHTLNH AKISSAHVAQ YDSEDKQQDV SFKYTFDKDT DATA SEQUENCE ELVGNXNLKL WVSTKDSDDX DLFAGIKKLD RRGNEVNFPD FNHIENGQVA DATA SEQUENCE TGWLRVSHRE LDQEKSSIAQ PWHKHETELK LSQDEIVPVE IELLPSGTLF DATA SEQUENCE KQGETLEVVV KGSEIVIGNS TPGXKTRYEH EETVNKGXHX IYTGGKYDSQ DATA SEQUENCE LIIPIV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.283 175.328 -0.076 0.000 0.993 4 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 4 H CB 0.000 29.715 29.762 -0.078 0.000 1.292 5 L N 1.685 122.909 121.223 0.002 0.000 2.551 5 L HA 0.034 4.375 4.340 0.001 0.000 0.228 5 L C 2.147 179.085 176.870 0.113 0.000 1.153 5 L CA 0.539 55.338 54.840 -0.068 0.000 0.851 5 L CB -0.183 41.749 42.059 -0.211 0.000 0.959 5 L HN 0.070 nan 8.230 nan 0.000 0.451 6 L N -0.331 120.937 121.223 0.074 0.000 2.291 6 L HA 0.066 4.407 4.340 0.001 0.000 0.214 6 L C 1.341 178.261 176.870 0.084 0.000 1.120 6 L CA 0.527 55.414 54.840 0.078 0.000 0.799 6 L CB -0.684 41.396 42.059 0.035 0.000 0.925 6 L HN 0.484 nan 8.230 nan 0.000 0.446 7 G N 0.459 109.311 108.800 0.086 0.000 2.725 7 G HA2 -0.290 3.670 3.960 0.001 0.000 0.220 7 G HA3 -0.290 3.670 3.960 0.001 0.000 0.220 7 G C -0.584 174.353 174.900 0.063 0.000 1.357 7 G CA -0.290 44.859 45.100 0.081 0.000 0.866 7 G HN 0.266 nan 8.290 nan 0.000 0.548 8 N N 0.652 119.386 118.700 0.056 0.000 2.576 8 N HA 0.629 5.370 4.740 0.001 0.000 0.269 8 N C -1.383 174.152 175.510 0.041 0.000 1.058 8 N CA -1.947 51.131 53.050 0.046 0.000 0.860 8 N CB 2.085 40.600 38.487 0.047 0.000 1.249 8 N HN 0.140 nan 8.380 nan 0.000 0.525 9 P HA -0.015 nan 4.420 nan 0.000 0.233 9 P C 0.734 178.052 177.300 0.030 0.000 1.167 9 P CA 0.695 63.815 63.100 0.033 0.000 0.770 9 P CB 0.444 32.160 31.700 0.026 0.000 0.837 10 K N -0.542 119.875 120.400 0.028 0.000 2.288 10 K HA 0.055 4.376 4.320 0.001 0.000 0.201 10 K C 0.932 177.550 176.600 0.029 0.000 1.048 10 K CA 0.355 56.658 56.287 0.025 0.000 0.956 10 K CB -0.599 31.914 32.500 0.021 0.000 0.746 10 K HN 0.297 nan 8.250 nan 0.000 0.461 11 L N 2.058 123.302 121.223 0.035 0.000 2.305 11 L HA 0.122 4.463 4.340 0.001 0.000 0.281 11 L C 0.171 177.070 176.870 0.050 0.000 1.085 11 L CA -0.284 54.580 54.840 0.039 0.000 0.813 11 L CB 1.106 43.190 42.059 0.041 0.000 1.157 11 L HN -0.046 nan 8.230 nan 0.000 0.436 12 T N 2.228 116.814 114.554 0.052 0.000 2.913 12 T HA 0.204 4.555 4.350 0.001 0.000 0.297 12 T C 0.182 174.941 174.700 0.099 0.000 1.029 12 T CA -0.526 61.617 62.100 0.071 0.000 1.104 12 T CB 1.419 70.322 68.868 0.059 0.000 0.964 12 T HN 0.210 nan 8.240 nan 0.000 0.532 13 V N 3.688 123.683 119.914 0.135 0.000 2.530 13 V HA 0.155 4.276 4.120 0.001 0.000 0.282 13 V C 0.919 177.170 176.094 0.261 0.000 1.048 13 V CA -0.581 61.835 62.300 0.194 0.000 0.997 13 V CB 0.863 32.801 31.823 0.191 0.000 0.987 13 V HN 0.999 nan 8.190 nan 0.000 0.477 14 T N 4.770 119.502 114.554 0.296 0.000 2.902 14 T HA 0.096 4.447 4.350 0.001 0.000 0.301 14 T C 0.195 175.148 174.700 0.421 0.000 1.012 14 T CA 0.025 62.317 62.100 0.320 0.000 1.151 14 T CB -0.267 68.816 68.868 0.358 0.000 0.946 14 T HN 0.662 nan 8.240 nan 0.000 0.542 15 H N 2.023 121.163 119.070 0.117 0.000 3.086 15 H HA 0.088 4.644 4.556 0.001 0.000 0.265 15 H C 1.460 176.792 175.328 0.007 0.000 1.092 15 H CA -0.738 55.326 56.048 0.026 0.000 1.487 15 H CB 0.666 30.438 29.762 0.016 0.000 1.514 15 H HN 0.425 nan 8.280 nan 0.000 0.497 16 V N 4.201 124.067 119.914 -0.080 0.000 2.370 16 V HA -0.353 3.767 4.120 0.001 0.000 0.252 16 V C 1.440 177.542 176.094 0.013 0.000 1.068 16 V CA 2.073 64.263 62.300 -0.184 0.000 1.061 16 V CB -0.212 31.213 31.823 -0.663 0.000 0.656 16 V HN 0.786 nan 8.190 nan 0.000 0.455 17 N N 0.318 119.019 118.700 0.002 0.000 2.609 17 N HA -0.073 4.668 4.740 0.001 0.000 0.190 17 N C 1.219 176.769 175.510 0.067 0.000 1.157 17 N CA 1.122 54.189 53.050 0.029 0.000 0.918 17 N CB -0.080 38.411 38.487 0.007 0.000 0.978 17 N HN 0.736 nan 8.380 nan 0.000 0.448 18 E N -0.409 119.852 120.200 0.102 0.000 2.601 18 E HA 0.132 4.482 4.350 0.001 0.000 0.219 18 E C -0.251 176.401 176.600 0.087 0.000 0.964 18 E CA -0.119 56.334 56.400 0.087 0.000 1.050 18 E CB 1.120 30.871 29.700 0.084 0.000 1.068 18 E HN -0.043 nan 8.360 nan 0.000 0.496 19 V N 2.778 122.762 119.914 0.116 0.000 2.715 19 V HA 0.066 4.187 4.120 0.001 0.000 0.299 19 V C 0.372 176.510 176.094 0.074 0.000 1.054 19 V CA -0.010 62.359 62.300 0.115 0.000 1.077 19 V CB 0.741 32.667 31.823 0.172 0.000 0.972 19 V HN 0.053 nan 8.190 nan 0.000 0.484 20 K N 2.523 122.957 120.400 0.056 0.000 2.208 20 K HA 0.705 5.025 4.320 0.001 0.000 0.247 20 K C 0.004 176.625 176.600 0.036 0.000 0.953 20 K CA -0.646 55.666 56.287 0.042 0.000 0.837 20 K CB 1.652 34.173 32.500 0.035 0.000 1.131 20 K HN 0.765 nan 8.250 nan 0.000 0.431 21 A N 0.808 123.649 122.820 0.034 0.000 2.587 21 A HA 0.405 4.726 4.320 0.001 0.000 0.233 21 A C 0.917 178.519 177.584 0.030 0.000 1.049 21 A CA 1.476 53.533 52.037 0.034 0.000 0.754 21 A CB -0.848 18.177 19.000 0.042 0.000 0.977 21 A HN 0.919 nan 8.150 nan 0.000 0.509 22 G N 0.443 109.258 108.800 0.024 0.000 2.500 22 G HA2 -0.033 3.928 3.960 0.001 0.000 0.209 22 G HA3 -0.033 3.928 3.960 0.001 0.000 0.209 22 G C -0.371 174.531 174.900 0.004 0.000 1.283 22 G CA -0.368 44.746 45.100 0.023 0.000 0.960 22 G HN 1.172 nan 8.290 nan 0.000 0.528 23 I N 2.287 122.864 120.570 0.011 0.000 2.371 23 I HA 0.303 4.474 4.170 0.001 0.000 0.290 23 I C 0.070 176.187 176.117 0.000 0.000 1.028 23 I CA -0.482 60.811 61.300 -0.011 0.000 1.345 23 I CB 0.898 38.903 38.000 0.010 0.000 1.407 23 I HN 0.366 nan 8.210 nan 0.000 0.501 24 N N 5.149 123.820 118.700 -0.048 0.000 2.238 24 N HA 0.360 5.100 4.740 0.001 0.000 0.302 24 N C -0.934 174.521 175.510 -0.092 0.000 1.072 24 N CA -0.764 52.282 53.050 -0.006 0.000 0.792 24 N CB 1.926 40.413 38.487 -0.000 0.000 1.425 24 N HN 0.530 nan 8.380 nan 0.000 0.478 25 H N 2.097 121.156 119.070 -0.018 0.000 2.705 25 H HA 0.324 4.880 4.556 0.001 0.000 0.291 25 H C 0.127 175.444 175.328 -0.019 0.000 1.085 25 H CA -0.158 55.876 56.048 -0.023 0.000 1.357 25 H CB 1.239 30.992 29.762 -0.015 0.000 1.419 25 H HN 0.543 nan 8.280 nan 0.000 0.462 26 I N -0.158 120.421 120.570 0.015 0.000 3.023 26 I HA 0.609 4.780 4.170 0.001 0.000 0.312 26 I C -0.816 175.286 176.117 -0.025 0.000 1.056 26 I CA -1.178 60.117 61.300 -0.008 0.000 1.033 26 I CB 2.190 40.131 38.000 -0.098 0.000 1.233 26 I HN 0.063 nan 8.210 nan 0.000 0.462 27 V N 4.080 123.993 119.914 -0.001 0.000 2.407 27 V HA 0.393 4.514 4.120 0.001 0.000 0.291 27 V C -0.012 176.094 176.094 0.020 0.000 1.018 27 V CA -0.602 61.707 62.300 0.015 0.000 0.842 27 V CB 1.493 33.353 31.823 0.062 0.000 0.996 27 V HN 0.560 nan 8.190 nan 0.000 0.426 28 V N 4.054 123.947 119.914 -0.035 0.000 2.539 28 V HA 0.319 4.440 4.120 0.001 0.000 0.292 28 V C 0.005 176.168 176.094 0.115 0.000 1.045 28 V CA -0.743 61.562 62.300 0.007 0.000 0.945 28 V CB 2.016 33.754 31.823 -0.142 0.000 0.993 28 V HN 1.024 nan 8.190 nan 0.000 0.464 29 D N 2.522 123.040 120.400 0.197 0.000 2.551 29 D HA 0.058 4.699 4.640 0.001 0.000 0.223 29 D C 0.459 176.805 176.300 0.076 0.000 1.144 29 D CA 0.009 54.080 54.000 0.119 0.000 1.025 29 D CB 0.462 41.325 40.800 0.105 0.000 1.085 29 D HN 0.326 nan 8.370 nan 0.000 0.506 30 S N 0.704 116.443 115.700 0.064 0.000 2.560 30 S HA 0.046 4.517 4.470 0.001 0.000 0.284 30 S C 1.341 175.925 174.600 -0.025 0.000 1.327 30 S CA -0.726 57.498 58.200 0.039 0.000 1.055 30 S CB 0.919 64.178 63.200 0.099 0.000 0.868 30 S HN 0.229 nan 8.310 nan 0.000 0.506 31 V N 4.872 124.739 119.914 -0.078 0.000 2.591 31 V HA -0.070 4.051 4.120 0.001 0.000 0.249 31 V C 2.045 178.031 176.094 -0.179 0.000 1.053 31 V CA 1.563 63.791 62.300 -0.119 0.000 1.068 31 V CB -0.669 31.068 31.823 -0.144 0.000 0.689 31 V HN 0.799 nan 8.190 nan 0.000 0.462 32 Q N -1.446 118.166 119.800 -0.313 0.000 2.324 32 Q HA 0.101 4.441 4.340 0.001 0.000 0.207 32 Q C 1.012 176.690 176.000 -0.536 0.000 0.928 32 Q CA 0.975 56.436 55.803 -0.569 0.000 0.890 32 Q CB 0.081 28.193 28.738 -1.044 0.000 1.001 32 Q HN 0.763 nan 8.270 nan 0.000 0.517 33 Y N -0.659 119.652 120.300 0.018 0.000 2.682 33 Y HA 0.553 5.103 4.550 0.001 0.000 0.251 33 Y C 0.901 176.806 175.900 0.009 0.000 1.172 33 Y CA -0.204 57.900 58.100 0.007 0.000 1.186 33 Y CB 0.572 39.028 38.460 -0.007 0.000 1.216 33 Y HN 0.113 nan 8.280 nan 0.000 0.540 34 G N 0.917 109.778 108.800 0.101 0.000 2.632 34 G HA2 -0.272 3.688 3.960 0.001 0.000 0.224 34 G HA3 -0.272 3.688 3.960 0.001 0.000 0.224 34 G C -0.682 174.265 174.900 0.079 0.000 1.341 34 G CA -0.913 44.232 45.100 0.075 0.000 0.880 34 G HN 0.194 nan 8.290 nan 0.000 0.566 35 N N 1.841 120.582 118.700 0.067 0.000 2.416 35 N HA 0.352 5.093 4.740 0.001 0.000 0.265 35 N C -0.018 175.528 175.510 0.061 0.000 1.195 35 N CA 0.276 53.365 53.050 0.066 0.000 0.943 35 N CB 0.919 39.442 38.487 0.061 0.000 1.115 35 N HN 0.481 nan 8.380 nan 0.000 0.481 36 Q N 1.443 121.273 119.800 0.051 0.000 2.322 36 Q HA 0.194 4.534 4.340 0.001 0.000 0.265 36 Q C 0.417 176.412 176.000 -0.008 0.000 0.985 36 Q CA -0.495 55.324 55.803 0.025 0.000 0.849 36 Q CB 2.097 30.854 28.738 0.032 0.000 1.274 36 Q HN 0.650 nan 8.270 nan 0.000 0.449 42 K N 2.140 122.485 120.400 -0.093 0.000 2.182 42 K HA 0.253 4.573 4.320 0.001 0.000 0.262 42 K C -0.608 175.997 176.600 0.009 0.000 0.957 42 K CA -0.266 55.989 56.287 -0.053 0.000 0.842 42 K CB 0.749 33.239 32.500 -0.018 0.000 1.099 42 K HN 0.404 nan 8.250 nan 0.000 0.438 43 D N 1.590 122.015 120.400 0.043 0.000 2.800 43 D HA -0.136 4.505 4.640 0.001 0.000 0.232 43 D C 0.035 176.386 176.300 0.085 0.000 1.137 43 D CA 1.317 55.390 54.000 0.123 0.000 0.718 43 D CB -1.243 39.639 40.800 0.137 0.000 1.084 43 D HN 0.810 nan 8.370 nan 0.000 0.432 44 G N -0.104 108.710 108.800 0.023 0.000 2.594 44 G HA2 0.441 4.402 3.960 0.001 0.000 0.243 44 G HA3 0.441 4.402 3.960 0.001 0.000 0.243 44 G C 0.478 175.275 174.900 -0.171 0.000 1.229 44 G CA 0.538 45.622 45.100 -0.026 0.000 0.843 44 G HN 0.297 nan 8.290 nan 0.000 0.578 45 T N -2.507 111.876 114.554 -0.285 0.000 2.900 45 T HA 0.616 4.967 4.350 0.001 0.000 0.295 45 T C -0.848 173.506 174.700 -0.577 0.000 1.044 45 T CA -0.795 61.011 62.100 -0.491 0.000 0.995 45 T CB 2.006 70.510 68.868 -0.606 0.000 1.072 45 T HN 0.536 nan 8.240 nan 0.000 0.473 46 V N 2.103 121.630 119.914 -0.645 0.000 2.487 46 V HA 0.536 4.657 4.120 0.001 0.000 0.298 46 V C 0.272 176.129 176.094 -0.394 0.000 1.028 46 V CA -0.855 61.022 62.300 -0.705 0.000 0.860 46 V CB 1.263 32.562 31.823 -0.873 0.000 0.991 46 V HN 1.102 nan 8.190 nan 0.000 0.427 50 D N 0.067 120.457 120.400 -0.016 0.000 2.340 50 D HA 0.158 4.798 4.640 0.001 0.000 0.220 50 D C 1.179 177.466 176.300 -0.022 0.000 1.039 50 D CA 1.191 55.181 54.000 -0.018 0.000 0.866 50 D CB 0.667 41.456 40.800 -0.019 0.000 0.913 50 D HN 0.460 nan 8.370 nan 0.000 0.523 51 G N 0.077 108.860 108.800 -0.029 0.000 2.259 51 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 51 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 51 G C 0.115 174.987 174.900 -0.047 0.000 1.001 51 G CA 0.027 45.106 45.100 -0.034 0.000 0.627 51 G HN 0.535 nan 8.290 nan 0.000 0.501 52 E N 1.984 122.157 120.200 -0.046 0.000 2.493 52 E HA 0.417 4.767 4.350 0.001 0.000 0.255 52 E C 0.421 176.966 176.600 -0.091 0.000 0.999 52 E CA 0.394 56.762 56.400 -0.053 0.000 0.934 52 E CB 0.180 29.854 29.700 -0.045 0.000 0.940 52 E HN 0.425 nan 8.360 nan 0.000 0.473 53 K N 3.933 124.265 120.400 -0.113 0.000 2.201 53 K HA 0.315 4.635 4.320 0.001 0.000 0.278 53 K C -0.796 175.659 176.600 -0.241 0.000 1.027 53 K CA -0.806 55.333 56.287 -0.246 0.000 0.909 53 K CB 0.819 33.093 32.500 -0.376 0.000 1.062 53 K HN 0.359 nan 8.250 nan 0.000 0.465 54 L N 3.150 124.195 121.223 -0.296 0.000 2.331 54 L HA 0.401 4.742 4.340 0.001 0.000 0.275 54 L C -0.911 175.757 176.870 -0.336 0.000 1.022 54 L CA -0.433 54.295 54.840 -0.187 0.000 0.812 54 L CB 0.750 42.729 42.059 -0.134 0.000 1.257 54 L HN 0.457 nan 8.230 nan 0.000 0.435 55 Y N 3.335 123.544 120.300 -0.152 0.000 2.360 55 Y HA 0.702 5.252 4.550 0.001 0.000 0.337 55 Y C 0.228 176.063 175.900 -0.109 0.000 1.039 55 Y CA -0.670 57.352 58.100 -0.130 0.000 1.109 55 Y CB 1.530 39.922 38.460 -0.113 0.000 1.201 55 Y HN 0.419 nan 8.280 nan 0.000 0.458 56 I N -0.336 120.238 120.570 0.006 0.000 2.934 56 I HA 0.674 4.845 4.170 0.001 0.000 0.306 56 I C -1.328 174.800 176.117 0.017 0.000 1.110 56 I CA -1.209 60.093 61.300 0.005 0.000 1.019 56 I CB 2.460 40.436 38.000 -0.039 0.000 1.227 56 I HN 0.368 nan 8.210 nan 0.000 0.434 57 N N 3.605 122.314 118.700 0.015 0.000 2.361 57 N HA 0.684 5.424 4.740 0.001 0.000 0.302 57 N C -1.159 174.266 175.510 -0.142 0.000 1.074 57 N CA -0.354 52.639 53.050 -0.095 0.000 0.850 57 N CB 2.481 40.915 38.487 -0.089 0.000 1.228 57 N HN 0.579 nan 8.380 nan 0.000 0.491 58 I N 1.571 121.951 120.570 -0.316 0.000 2.465 58 I HA 0.425 4.595 4.170 0.001 0.000 0.291 58 I C -0.971 174.813 176.117 -0.555 0.000 1.014 58 I CA -0.676 60.436 61.300 -0.314 0.000 1.093 58 I CB 1.214 39.036 38.000 -0.297 0.000 1.267 58 I HN 0.244 nan 8.210 nan 0.000 0.431 59 F N 5.587 125.422 119.950 -0.192 0.000 2.449 59 F HA 0.654 5.182 4.527 0.001 0.000 0.342 59 F C 0.219 175.857 175.800 -0.270 0.000 1.127 59 F CA -0.621 57.261 58.000 -0.196 0.000 0.975 59 F CB 1.462 40.398 39.000 -0.106 0.000 1.146 59 F HN 0.410 nan 8.300 nan 0.000 0.444 60 R N 1.932 122.337 120.500 -0.158 0.000 2.764 60 R HA 0.700 5.040 4.340 0.001 0.000 0.270 60 R C -3.456 172.689 176.300 -0.259 0.000 1.014 60 R CA -2.314 53.624 56.100 -0.269 0.000 0.904 60 R CB 1.442 31.488 30.300 -0.423 0.000 1.236 60 R HN 0.171 nan 8.270 nan 0.000 0.466 61 P HA 0.055 nan 4.420 nan 0.000 0.271 61 P C -0.768 176.422 177.300 -0.183 0.000 1.218 61 P CA -0.392 62.498 63.100 -0.350 0.000 0.780 61 P CB 0.478 31.784 31.700 -0.657 0.000 0.901 62 N N 2.832 121.455 118.700 -0.128 0.000 3.303 62 N HA 0.109 4.850 4.740 0.001 0.000 0.304 62 N C -0.713 174.800 175.510 0.006 0.000 1.302 62 N CA 0.302 53.318 53.050 -0.056 0.000 1.213 62 N CB -0.918 37.558 38.487 -0.019 0.000 1.481 62 N HN 0.271 nan 8.380 nan 0.000 0.546 63 K N 0.370 120.796 120.400 0.044 0.000 2.569 63 K HA 0.164 4.484 4.320 0.001 0.000 0.259 63 K C -1.643 175.078 176.600 0.202 0.000 0.932 63 K CA -0.714 55.636 56.287 0.105 0.000 0.833 63 K CB 1.332 33.892 32.500 0.100 0.000 1.340 63 K HN 0.052 nan 8.250 nan 0.000 0.429 64 D N 1.220 121.705 120.400 0.141 0.000 2.399 64 D HA 0.441 5.082 4.640 0.001 0.000 0.241 64 D C 0.414 176.757 176.300 0.071 0.000 1.133 64 D CA 1.166 55.227 54.000 0.102 0.000 0.890 64 D CB 1.449 42.272 40.800 0.039 0.000 1.201 64 D HN 0.791 nan 8.370 nan 0.000 0.432 65 G N 0.711 109.465 108.800 -0.077 0.000 2.333 65 G HA2 0.073 4.033 3.960 0.001 0.000 0.330 65 G HA3 0.073 4.033 3.960 0.001 0.000 0.330 65 G C -1.344 173.175 174.900 -0.635 0.000 1.465 65 G CA -0.996 43.825 45.100 -0.466 0.000 0.996 65 G HN 0.325 nan 8.290 nan 0.000 0.655 66 K N 0.199 120.157 120.400 -0.736 0.000 2.307 66 K HA 0.673 4.993 4.320 0.001 0.000 0.263 66 K C -1.080 175.138 176.600 -0.637 0.000 0.973 66 K CA -0.365 55.624 56.287 -0.496 0.000 0.846 66 K CB 1.321 33.647 32.500 -0.289 0.000 1.100 66 K HN 0.294 nan 8.250 nan 0.000 0.438 67 F N 2.755 122.723 119.950 0.031 0.000 2.618 67 F HA 0.441 4.969 4.527 0.001 0.000 0.332 67 F C -2.014 173.779 175.800 -0.012 0.000 1.061 67 F CA -2.580 55.409 58.000 -0.019 0.000 0.974 67 F CB 1.117 40.111 39.000 -0.009 0.000 1.310 67 F HN 0.362 nan 8.300 nan 0.000 0.491 68 P HA 0.170 nan 4.420 nan 0.000 0.271 68 P C -0.947 176.466 177.300 0.189 0.000 1.218 68 P CA -0.046 63.099 63.100 0.076 0.000 0.780 68 P CB 1.352 33.019 31.700 -0.056 0.000 0.901 69 V N 3.414 123.409 119.914 0.135 0.000 2.483 69 V HA 0.308 4.428 4.120 0.001 0.000 0.295 69 V C 0.806 176.896 176.094 -0.007 0.000 1.035 69 V CA -0.530 61.853 62.300 0.138 0.000 0.896 69 V CB 1.854 33.801 31.823 0.206 0.000 0.986 69 V HN 0.316 nan 8.190 nan 0.000 0.447 73 A N 1.354 124.154 122.820 -0.033 0.000 2.427 73 A HA 0.923 5.243 4.320 0.001 0.000 0.298 73 A C -0.954 176.627 177.584 -0.005 0.000 1.036 73 A CA -0.241 51.659 52.037 -0.229 0.000 0.701 73 A CB 1.053 19.477 19.000 -0.959 0.000 1.250 73 A HN 1.326 nan 8.150 nan 0.000 0.412 74 D N -0.651 119.726 120.400 -0.038 0.000 2.768 74 D HA 0.529 5.170 4.640 0.001 0.000 0.327 74 D C 0.135 176.302 176.300 -0.222 0.000 1.302 74 D CA 0.189 54.081 54.000 -0.180 0.000 0.897 74 D CB 0.784 41.322 40.800 -0.437 0.000 1.420 74 D HN 0.317 nan 8.370 nan 0.000 0.494 75 T N -3.394 110.886 114.554 -0.456 0.000 3.215 75 T HA 0.146 4.496 4.350 0.001 0.000 0.271 75 T C 0.086 174.953 174.700 0.277 0.000 1.012 75 T CA -0.228 61.816 62.100 -0.093 0.000 0.899 75 T CB -0.416 68.410 68.868 -0.070 0.000 1.089 75 T HN 0.310 nan 8.240 nan 0.000 0.552 76 Y N 2.431 122.711 120.300 -0.033 0.000 2.490 76 Y HA 0.472 5.023 4.550 0.001 0.000 0.285 76 Y C 1.615 177.591 175.900 0.127 0.000 1.117 76 Y CA -0.415 57.698 58.100 0.021 0.000 1.262 76 Y CB -0.210 38.243 38.460 -0.012 0.000 1.043 76 Y HN 0.575 nan 8.280 nan 0.000 0.553 77 G N 0.592 109.642 108.800 0.417 0.000 3.313 77 G HA2 -0.098 3.862 3.960 0.001 0.000 0.659 77 G HA3 -0.098 3.862 3.960 0.001 0.000 0.659 77 G C 0.445 175.490 174.900 0.241 0.000 1.286 77 G CA -0.305 45.039 45.100 0.407 0.000 1.077 77 G HN 0.270 nan 8.290 nan 0.000 0.551 78 K N 0.077 120.598 120.400 0.201 0.000 2.366 78 K HA 0.097 4.417 4.320 0.001 0.000 0.198 78 K C 0.470 177.173 176.600 0.171 0.000 1.044 78 K CA 1.285 57.672 56.287 0.166 0.000 0.973 78 K CB 0.455 33.035 32.500 0.132 0.000 0.767 78 K HN 0.266 nan 8.250 nan 0.000 0.475 79 D N 1.067 121.558 120.400 0.152 0.000 2.424 79 D HA 0.084 4.725 4.640 0.001 0.000 0.220 79 D C -0.628 175.720 176.300 0.080 0.000 1.150 79 D CA -0.178 53.898 54.000 0.126 0.000 0.831 79 D CB 0.141 41.005 40.800 0.106 0.000 0.981 79 D HN 0.159 nan 8.370 nan 0.000 0.500 80 N N 1.707 120.453 118.700 0.077 0.000 2.458 80 N HA -0.026 4.714 4.740 0.001 0.000 0.258 80 N C 0.292 175.800 175.510 -0.004 0.000 1.219 80 N CA 0.373 53.436 53.050 0.023 0.000 0.902 80 N CB 0.982 39.483 38.487 0.023 0.000 1.076 80 N HN 0.043 nan 8.380 nan 0.000 0.455 81 K N 2.735 123.106 120.400 -0.048 0.000 2.258 81 K HA 0.273 4.593 4.320 0.001 0.000 0.284 81 K C -1.967 174.583 176.600 -0.084 0.000 1.051 81 K CA -1.426 54.808 56.287 -0.089 0.000 0.923 81 K CB 0.441 32.874 32.500 -0.112 0.000 1.046 81 K HN 0.297 nan 8.250 nan 0.000 0.474 89 A N 0.484 123.335 122.820 0.052 0.000 1.956 89 A HA 0.530 4.851 4.320 0.001 0.000 0.212 89 A C 2.124 179.752 177.584 0.074 0.000 1.188 89 A CA 1.066 53.133 52.037 0.051 0.000 0.675 89 A CB -0.272 18.745 19.000 0.029 0.000 0.845 89 A HN 0.310 nan 8.150 nan 0.000 0.455 90 L N -2.956 118.322 121.223 0.092 0.000 2.341 90 L HA 0.067 4.407 4.340 0.001 0.000 0.214 90 L C 0.680 177.657 176.870 0.177 0.000 1.115 90 L CA 0.221 55.118 54.840 0.094 0.000 0.820 90 L CB 0.193 42.296 42.059 0.074 0.000 0.944 90 L HN 0.558 nan 8.230 nan 0.000 0.452 91 W N 1.284 122.588 121.300 0.007 0.000 1.982 91 W HA 0.328 4.988 4.660 0.001 0.000 0.299 91 W C -2.359 174.176 176.519 0.027 0.000 1.011 91 W CA -2.401 54.954 57.345 0.017 0.000 1.324 91 W CB 0.761 30.228 29.460 0.011 0.000 1.372 91 W HN -0.155 nan 8.180 nan 0.000 0.323 92 P HA -0.057 nan 4.420 nan 0.000 0.229 92 P C 1.248 178.622 177.300 0.124 0.000 1.160 92 P CA 1.481 64.671 63.100 0.151 0.000 0.777 92 P CB -0.001 31.770 31.700 0.119 0.000 0.814 93 T N -3.629 111.039 114.554 0.190 0.000 3.235 93 T HA 0.207 4.558 4.350 0.001 0.000 0.251 93 T C 1.548 176.307 174.700 0.099 0.000 1.060 93 T CA -0.137 62.075 62.100 0.187 0.000 0.949 93 T CB -0.930 68.123 68.868 0.308 0.000 1.020 93 T HN -0.010 nan 8.240 nan 0.000 0.564 94 L N 0.813 121.937 121.223 -0.165 0.000 2.313 94 L HA 0.292 4.632 4.340 0.001 0.000 0.214 94 L C 1.786 178.688 176.870 0.053 0.000 1.119 94 L CA 0.759 55.410 54.840 -0.316 0.000 0.809 94 L CB -0.901 40.839 42.059 -0.532 0.000 0.933 94 L HN 0.750 nan 8.230 nan 0.000 0.449 95 G N -0.412 108.439 108.800 0.085 0.000 2.615 95 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 95 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 95 G C -0.278 174.674 174.900 0.087 0.000 1.339 95 G CA -0.424 44.753 45.100 0.128 0.000 0.884 95 G HN 0.006 nan 8.290 nan 0.000 0.559 96 T N 0.906 115.520 114.554 0.100 0.000 2.749 96 T HA 0.622 4.973 4.350 0.001 0.000 0.287 96 T C 0.352 175.104 174.700 0.085 0.000 0.970 96 T CA 0.034 62.171 62.100 0.062 0.000 0.980 96 T CB 0.628 69.520 68.868 0.040 0.000 0.924 96 T HN 0.636 nan 8.240 nan 0.000 0.456 97 I N 6.130 126.727 120.570 0.046 0.000 2.714 97 I HA 0.266 4.437 4.170 0.001 0.000 0.276 97 I C -2.262 173.800 176.117 -0.091 0.000 1.196 97 I CA -1.825 59.509 61.300 0.056 0.000 1.068 97 I CB 1.385 39.433 38.000 0.080 0.000 1.291 97 I HN 0.372 nan 8.210 nan 0.000 0.530 98 P HA 0.564 nan 4.420 nan 0.000 0.294 98 P C -0.530 176.581 177.300 -0.315 0.000 1.294 98 P CA -0.076 62.920 63.100 -0.174 0.000 0.827 98 P CB 2.049 33.678 31.700 -0.119 0.000 0.992 99 T N -1.771 112.605 114.554 -0.296 0.000 2.749 99 T HA 0.474 4.825 4.350 0.001 0.000 0.310 99 T C -0.171 174.428 174.700 -0.169 0.000 1.496 99 T CA -0.687 61.218 62.100 -0.324 0.000 1.006 99 T CB 0.536 69.093 68.868 -0.519 0.000 1.457 99 T HN 0.455 nan 8.240 nan 0.000 0.497 100 S N 0.572 116.218 115.700 -0.090 0.000 2.608 100 S HA 0.354 4.824 4.470 0.001 0.000 0.261 100 S C 1.533 176.120 174.600 -0.021 0.000 1.314 100 S CA 0.079 58.279 58.200 0.001 0.000 0.992 100 S CB 0.659 63.919 63.200 0.100 0.000 0.935 100 S HN 1.675 nan 8.310 nan 0.000 0.564 101 S N -0.283 115.399 115.700 -0.030 0.000 2.603 101 S HA 0.086 4.556 4.470 0.001 0.000 0.229 101 S C 0.260 174.638 174.600 -0.369 0.000 0.972 101 S CA -0.001 58.072 58.200 -0.213 0.000 0.935 101 S CB -0.878 62.136 63.200 -0.309 0.000 0.769 101 S HN 0.661 nan 8.310 nan 0.000 0.536 102 F N 2.232 122.167 119.950 -0.024 0.000 2.819 102 F HA 0.365 4.892 4.527 0.001 0.000 0.294 102 F C 0.326 176.098 175.800 -0.048 0.000 1.166 102 F CA -0.428 57.566 58.000 -0.010 0.000 1.374 102 F CB 0.254 39.212 39.000 -0.070 0.000 0.956 102 F HN 0.038 nan 8.300 nan 0.000 0.509 103 T N 1.442 116.040 114.554 0.073 0.000 2.934 103 T HA 0.293 4.643 4.350 0.001 0.000 0.328 103 T C -2.618 172.134 174.700 0.087 0.000 1.068 103 T CA -1.683 60.469 62.100 0.087 0.000 1.018 103 T CB 1.416 70.306 68.868 0.037 0.000 1.009 103 T HN -0.220 nan 8.240 nan 0.000 0.471 104 P HA 0.228 nan 4.420 nan 0.000 0.270 104 P C -0.160 177.240 177.300 0.167 0.000 1.223 104 P CA -0.513 62.665 63.100 0.130 0.000 0.785 104 P CB 0.465 32.264 31.700 0.165 0.000 0.923 105 E N 1.643 121.915 120.200 0.120 0.000 2.585 105 E HA 0.257 4.607 4.350 0.001 0.000 0.252 105 E C 1.363 178.131 176.600 0.280 0.000 0.981 105 E CA 1.932 58.384 56.400 0.087 0.000 0.943 105 E CB -0.812 28.835 29.700 -0.088 0.000 0.923 105 E HN 0.550 nan 8.360 nan 0.000 0.486 106 E N 0.655 121.129 120.200 0.456 0.000 4.233 106 E HA -0.224 4.126 4.350 0.001 0.000 0.400 106 E C 0.511 177.275 176.600 0.273 0.000 0.563 106 E CA 0.969 57.661 56.400 0.486 0.000 1.422 106 E CB -1.949 nan 29.700 nan 0.000 1.876 106 E HN 0.392 nan 8.360 nan 0.000 0.364 107 S N 1.972 117.914 115.700 0.404 0.000 2.592 107 S HA 0.549 5.019 4.470 0.001 0.000 0.271 107 S C -2.296 172.616 174.600 0.520 0.000 1.326 107 S CA -0.442 57.974 58.200 0.361 0.000 1.024 107 S CB 1.234 64.612 63.200 0.297 0.000 0.921 107 S HN 0.437 nan 8.310 nan 0.000 0.527 108 P HA 0.039 nan 4.420 nan 0.000 0.263 108 P C -0.663 176.907 177.300 0.449 0.000 1.195 108 P CA -0.041 63.333 63.100 0.456 0.000 0.762 108 P CB 0.243 32.022 31.700 0.132 0.000 0.799 109 D N 5.782 126.512 120.400 0.551 0.000 2.339 109 D HA 0.048 4.688 4.640 0.001 0.000 0.256 109 D C -1.281 175.188 176.300 0.281 0.000 1.214 109 D CA -2.058 52.138 54.000 0.327 0.000 0.877 109 D CB 0.792 41.733 40.800 0.236 0.000 1.111 109 D HN 0.181 nan 8.370 nan 0.000 0.478 110 P HA -0.059 nan 4.420 nan 0.000 0.221 110 P C 1.144 178.442 177.300 -0.004 0.000 1.145 110 P CA 0.642 63.665 63.100 -0.128 0.000 0.795 110 P CB 0.230 31.419 31.700 -0.851 0.000 0.775 111 G N -1.814 107.008 108.800 0.037 0.000 2.712 111 G HA2 -0.159 3.802 3.960 0.001 0.000 0.212 111 G HA3 -0.159 3.802 3.960 0.001 0.000 0.212 111 G C 1.101 176.119 174.900 0.197 0.000 1.142 111 G CA -0.070 45.078 45.100 0.080 0.000 0.789 111 G HN 0.219 nan 8.290 nan 0.000 0.535 112 F N -0.589 119.375 119.950 0.022 0.000 2.343 112 F HA 0.281 4.809 4.527 0.001 0.000 0.286 112 F C 2.049 177.834 175.800 -0.026 0.000 1.057 112 F CA 0.312 58.288 58.000 -0.039 0.000 1.365 112 F CB 0.009 38.816 39.000 -0.323 0.000 1.114 112 F HN 0.128 nan 8.300 nan 0.000 0.545 113 W N 0.273 121.580 121.300 0.013 0.000 2.443 113 W HA -0.024 4.637 4.660 0.001 0.000 0.296 113 W C 2.353 178.845 176.519 -0.044 0.000 1.202 113 W CA 1.577 58.849 57.345 -0.122 0.000 1.312 113 W CB -0.809 28.642 29.460 -0.016 0.000 1.120 113 W HN -0.232 nan 8.180 nan 0.000 0.536 114 V N 1.113 121.131 119.914 0.173 0.000 2.343 114 V HA -0.233 3.888 4.120 0.001 0.000 0.247 114 V C -0.664 175.382 176.094 -0.080 0.000 1.051 114 V CA 1.716 64.037 62.300 0.036 0.000 1.036 114 V CB -2.194 29.617 31.823 -0.020 0.000 0.654 114 V HN -0.007 nan 8.190 nan 0.000 0.451 115 P HA -0.056 nan 4.420 nan 0.000 0.225 115 P C 1.028 178.149 177.300 -0.299 0.000 1.148 115 P CA 1.018 63.978 63.100 -0.233 0.000 0.779 115 P CB -0.158 31.364 31.700 -0.297 0.000 0.780 116 N N -0.044 118.519 118.700 -0.227 0.000 2.370 116 N HA -0.033 4.708 4.740 0.001 0.000 0.198 116 N C -0.330 175.153 175.510 -0.045 0.000 1.156 116 N CA 0.480 53.448 53.050 -0.138 0.000 0.839 116 N CB -0.481 37.937 38.487 -0.116 0.000 0.989 116 N HN 0.027 nan 8.380 nan 0.000 0.468 117 D N 0.007 120.329 120.400 -0.131 0.000 2.746 117 D HA -0.216 4.424 4.640 0.001 0.000 0.236 117 D C -0.831 175.321 176.300 -0.246 0.000 1.129 117 D CA 0.943 54.784 54.000 -0.265 0.000 0.691 117 D CB -1.581 39.126 40.800 -0.156 0.000 1.077 117 D HN 0.367 nan 8.370 nan 0.000 0.432 118 Y N -1.369 118.887 120.300 -0.073 0.000 2.528 118 Y HA 0.567 5.117 4.550 0.001 0.000 0.335 118 Y C 0.886 176.744 175.900 -0.070 0.000 1.093 118 Y CA -0.955 57.161 58.100 0.028 0.000 1.134 118 Y CB 1.381 39.951 38.460 0.183 0.000 1.253 118 Y HN -0.215 nan 8.280 nan 0.000 0.478 119 V N 2.726 122.728 119.914 0.146 0.000 2.532 119 V HA 0.426 4.546 4.120 0.001 0.000 0.295 119 V C -0.622 175.510 176.094 0.063 0.000 1.041 119 V CA -0.822 61.480 62.300 0.004 0.000 0.926 119 V CB 1.506 33.297 31.823 -0.053 0.000 0.992 119 V HN 0.467 nan 8.190 nan 0.000 0.457 120 V N 5.164 125.119 119.914 0.069 0.000 2.448 120 V HA 0.468 4.588 4.120 0.001 0.000 0.295 120 V C -0.270 175.919 176.094 0.158 0.000 1.025 120 V CA -0.546 61.825 62.300 0.117 0.000 0.859 120 V CB 1.926 33.842 31.823 0.157 0.000 0.988 120 V HN 0.596 nan 8.190 nan 0.000 0.431 121 V N 4.576 124.577 119.914 0.144 0.000 2.417 121 V HA 0.510 4.631 4.120 0.001 0.000 0.291 121 V C -0.141 176.066 176.094 0.189 0.000 1.024 121 V CA -0.875 61.526 62.300 0.168 0.000 0.861 121 V CB 1.854 33.807 31.823 0.218 0.000 0.985 121 V HN 0.803 nan 8.190 nan 0.000 0.436 122 K N 4.178 124.696 120.400 0.196 0.000 2.293 122 K HA 0.591 4.911 4.320 0.001 0.000 0.267 122 K C -1.115 175.550 176.600 0.107 0.000 1.010 122 K CA -0.282 56.112 56.287 0.178 0.000 0.875 122 K CB 1.422 34.074 32.500 0.253 0.000 1.106 122 K HN 0.442 nan 8.250 nan 0.000 0.450 123 V N 3.543 123.491 119.914 0.056 0.000 2.394 123 V HA 0.582 4.702 4.120 0.001 0.000 0.282 123 V C -0.080 176.003 176.094 -0.018 0.000 1.031 123 V CA -1.040 61.255 62.300 -0.008 0.000 0.881 123 V CB 1.327 33.094 31.823 -0.094 0.000 0.982 123 V HN 0.876 nan 8.190 nan 0.000 0.451 124 A N 6.493 129.307 122.820 -0.010 0.000 2.391 124 A HA 0.646 4.967 4.320 0.001 0.000 0.316 124 A C -0.108 177.434 177.584 -0.070 0.000 1.381 124 A CA -0.345 51.675 52.037 -0.030 0.000 0.998 124 A CB -0.159 18.827 19.000 -0.022 0.000 1.147 124 A HN 0.829 nan 8.150 nan 0.000 0.545 125 L N 1.440 122.613 121.223 -0.083 0.000 2.475 125 L HA 0.260 4.600 4.340 0.001 0.000 0.250 125 L C 1.413 178.227 176.870 -0.094 0.000 1.224 125 L CA -0.530 54.267 54.840 -0.072 0.000 0.821 125 L CB 0.322 42.370 42.059 -0.019 0.000 1.141 125 L HN 0.768 nan 8.230 nan 0.000 0.494 126 R N 0.273 120.731 120.500 -0.069 0.000 2.538 126 R HA 0.074 4.415 4.340 0.001 0.000 0.282 126 R C 0.820 177.031 176.300 -0.149 0.000 1.009 126 R CA 1.102 57.146 56.100 -0.094 0.000 1.063 126 R CB -0.053 30.212 30.300 -0.059 0.000 0.945 126 R HN 0.869 nan 8.270 nan 0.000 0.414 127 G N 2.214 110.886 108.800 -0.213 0.000 2.175 127 G HA2 -0.309 3.651 3.960 0.001 0.000 0.244 127 G HA3 -0.309 3.651 3.960 0.001 0.000 0.244 127 G C -0.124 174.418 174.900 -0.597 0.000 0.982 127 G CA 0.337 45.257 45.100 -0.300 0.000 0.641 127 G HN 0.826 nan 8.290 nan 0.000 0.527 128 S N -0.442 114.851 115.700 -0.678 0.000 2.704 128 S HA 0.731 5.201 4.470 0.001 0.000 0.305 128 S C 0.249 174.203 174.600 -1.077 0.000 1.107 128 S CA 0.808 58.238 58.200 -1.285 0.000 0.993 128 S CB 2.966 65.809 63.200 -0.595 0.000 1.110 128 S HN 1.294 nan 8.310 nan 0.000 0.534 129 D N 0.804 120.295 120.400 -1.515 0.000 3.608 129 D HA -0.255 4.386 4.640 0.001 0.000 0.152 129 D C 0.572 176.477 176.300 -0.657 0.000 0.971 129 D CA 2.053 55.609 54.000 -0.740 0.000 1.072 129 D CB -0.855 39.764 40.800 -0.303 0.000 0.507 129 D HN 0.741 nan 8.370 nan 0.000 0.520 130 K N -0.488 119.517 120.400 -0.658 0.000 2.459 130 K HA 0.158 4.478 4.320 0.001 0.000 0.193 130 K C 0.200 176.531 176.600 -0.448 0.000 1.030 130 K CA 0.528 56.382 56.287 -0.723 0.000 1.026 130 K CB 0.143 31.901 32.500 -1.237 0.000 0.809 130 K HN 0.195 nan 8.250 nan 0.000 0.504 131 S N 1.379 116.914 115.700 -0.276 0.000 2.510 131 S HA 0.070 4.540 4.470 0.001 0.000 0.279 131 S C 0.436 174.898 174.600 -0.231 0.000 1.284 131 S CA -0.313 57.815 58.200 -0.121 0.000 1.059 131 S CB 0.427 63.581 63.200 -0.078 0.000 0.901 131 S HN 0.032 nan 8.310 nan 0.000 0.491 132 K N 4.024 124.334 120.400 -0.150 0.000 2.593 132 K HA 0.237 4.557 4.320 0.001 0.000 0.208 132 K C 0.889 177.421 176.600 -0.112 0.000 1.051 132 K CA -0.121 56.077 56.287 -0.148 0.000 1.111 132 K CB 0.400 32.838 32.500 -0.103 0.000 0.849 132 K HN 0.684 nan 8.250 nan 0.000 0.479 133 G N 0.409 109.144 108.800 -0.108 0.000 2.535 133 G HA2 0.236 4.197 3.960 0.001 0.000 0.282 133 G HA3 0.236 4.197 3.960 0.001 0.000 0.282 133 G C -0.184 174.660 174.900 -0.094 0.000 1.350 133 G CA -0.559 44.492 45.100 -0.082 0.000 1.039 133 G HN -0.023 nan 8.290 nan 0.000 0.509 134 V N 0.127 119.999 119.914 -0.071 0.000 2.617 134 V HA 0.051 4.172 4.120 0.001 0.000 0.304 134 V C 0.486 176.530 176.094 -0.082 0.000 1.040 134 V CA 0.371 62.630 62.300 -0.068 0.000 1.149 134 V CB 0.875 32.672 31.823 -0.043 0.000 0.914 134 V HN 0.463 nan 8.190 nan 0.000 0.487 135 L N 5.307 126.469 121.223 -0.101 0.000 2.313 135 L HA 0.456 4.796 4.340 0.001 0.000 0.273 135 L C 0.198 177.031 176.870 -0.062 0.000 1.028 135 L CA 0.160 54.940 54.840 -0.100 0.000 0.871 135 L CB 1.253 43.219 42.059 -0.155 0.000 1.242 135 L HN 0.686 nan 8.230 nan 0.000 0.434 136 S N 6.110 121.801 115.700 -0.015 0.000 2.406 136 S HA 0.487 4.958 4.470 0.001 0.000 0.224 136 S C -2.470 172.165 174.600 0.059 0.000 1.426 136 S CA -1.416 56.795 58.200 0.019 0.000 1.179 136 S CB 0.624 63.822 63.200 -0.003 0.000 1.042 136 S HN 0.344 nan 8.310 nan 0.000 0.479 137 P HA 0.041 nan 4.420 nan 0.000 0.264 137 P C -0.497 176.927 177.300 0.207 0.000 1.183 137 P CA 0.558 63.699 63.100 0.068 0.000 0.763 137 P CB 0.086 31.780 31.700 -0.009 0.000 0.807 138 W N 0.434 121.778 121.300 0.073 0.000 5.721 138 W HA -0.153 4.508 4.660 0.001 0.000 0.406 138 W C -0.076 176.356 176.519 -0.145 0.000 1.576 138 W CA 0.886 58.281 57.345 0.083 0.000 0.977 138 W CB -2.825 26.823 29.460 0.313 0.000 2.771 138 W HN 0.381 nan 8.180 nan 0.000 1.435 139 S N -2.158 113.297 115.700 -0.408 0.000 2.634 139 S HA 0.635 5.106 4.470 0.001 0.000 0.296 139 S C 0.882 174.707 174.600 -1.292 0.000 1.104 139 S CA -0.561 57.209 58.200 -0.717 0.000 0.920 139 S CB 2.862 65.891 63.200 -0.284 0.000 1.111 139 S HN 0.105 nan 8.310 nan 0.000 0.493 140 K N 0.881 120.562 120.400 -1.197 0.000 2.097 140 K HA -0.142 4.179 4.320 0.001 0.000 0.206 140 K C 2.220 178.646 176.600 -0.289 0.000 1.049 140 K CA 1.683 57.560 56.287 -0.683 0.000 0.933 140 K CB -0.214 32.157 32.500 -0.215 0.000 0.717 140 K HN 0.746 nan 8.250 nan 0.000 0.442 141 R N -0.034 120.325 120.500 -0.234 0.000 2.148 141 R HA -0.061 4.279 4.340 0.001 0.000 0.223 141 R C 2.068 178.330 176.300 -0.063 0.000 1.088 141 R CA 1.495 57.529 56.100 -0.110 0.000 0.985 141 R CB -0.351 29.895 30.300 -0.090 0.000 0.880 141 R HN 0.282 nan 8.270 nan 0.000 0.451 142 E N 1.320 121.467 120.200 -0.088 0.000 2.072 142 E HA -0.153 4.197 4.350 0.001 0.000 0.191 142 E C 1.993 178.661 176.600 0.113 0.000 0.985 142 E CA 1.166 57.574 56.400 0.013 0.000 0.801 142 E CB -0.118 29.602 29.700 0.034 0.000 0.750 142 E HN 0.475 nan 8.360 nan 0.000 0.452 143 A N 0.927 123.792 122.820 0.074 0.000 1.972 143 A HA -0.209 4.111 4.320 0.001 0.000 0.219 143 A C 1.871 179.612 177.584 0.262 0.000 1.169 143 A CA 1.536 53.722 52.037 0.248 0.000 0.635 143 A CB -0.442 18.719 19.000 0.268 0.000 0.810 143 A HN 0.332 nan 8.150 nan 0.000 0.446 144 E N -0.241 120.042 120.200 0.139 0.000 2.150 144 E HA -0.153 4.198 4.350 0.001 0.000 0.193 144 E C 1.198 177.899 176.600 0.168 0.000 0.985 144 E CA 1.003 57.465 56.400 0.104 0.000 0.814 144 E CB -0.097 29.602 29.700 -0.001 0.000 0.752 144 E HN 0.558 nan 8.360 nan 0.000 0.466 145 D N 0.141 120.636 120.400 0.157 0.000 2.103 145 D HA -0.161 4.480 4.640 0.001 0.000 0.199 145 D C 1.674 178.125 176.300 0.252 0.000 0.978 145 D CA 0.859 54.950 54.000 0.151 0.000 0.829 145 D CB -0.496 40.352 40.800 0.081 0.000 0.981 145 D HN 0.257 nan 8.370 nan 0.000 0.464 146 Y N 0.064 120.457 120.300 0.155 0.000 2.151 146 Y HA -0.390 4.160 4.550 0.001 0.000 0.284 146 Y C 2.504 178.533 175.900 0.215 0.000 1.166 146 Y CA 1.263 59.470 58.100 0.178 0.000 1.163 146 Y CB -0.113 38.467 38.460 0.200 0.000 0.974 146 Y HN -0.003 nan 8.280 nan 0.000 0.511 147 Y N 1.190 121.665 120.300 0.292 0.000 2.097 147 Y HA -0.326 4.224 4.550 0.001 0.000 0.282 147 Y C 2.354 178.368 175.900 0.191 0.000 1.152 147 Y CA 2.228 60.438 58.100 0.184 0.000 1.136 147 Y CB -0.367 38.175 38.460 0.137 0.000 0.975 147 Y HN 0.180 nan 8.280 nan 0.000 0.498 148 E N -0.672 119.815 120.200 0.477 0.000 2.118 148 E HA -0.216 4.135 4.350 0.001 0.000 0.195 148 E C 2.174 178.936 176.600 0.270 0.000 0.992 148 E CA 1.647 58.247 56.400 0.334 0.000 0.804 148 E CB -0.239 29.588 29.700 0.212 0.000 0.741 148 E HN 0.395 nan 8.360 nan 0.000 0.458 149 V N 1.343 121.411 119.914 0.255 0.000 2.453 149 V HA -0.217 3.904 4.120 0.001 0.000 0.247 149 V C 2.230 178.533 176.094 0.349 0.000 1.048 149 V CA 1.272 63.731 62.300 0.264 0.000 1.049 149 V CB -0.354 31.581 31.823 0.185 0.000 0.672 149 V HN 0.234 nan 8.190 nan 0.000 0.457 150 I N -0.104 120.635 120.570 0.283 0.000 2.252 150 I HA -0.162 4.008 4.170 0.001 0.000 0.245 150 I C 2.609 178.800 176.117 0.123 0.000 1.102 150 I CA 1.273 62.685 61.300 0.186 0.000 1.385 150 I CB -0.358 37.678 38.000 0.060 0.000 1.064 150 I HN 0.303 nan 8.210 nan 0.000 0.414 151 E N -0.167 120.094 120.200 0.101 0.000 2.152 151 E HA -0.244 4.107 4.350 0.001 0.000 0.192 151 E C 1.723 178.371 176.600 0.080 0.000 0.983 151 E CA 1.014 57.465 56.400 0.085 0.000 0.818 151 E CB -0.353 29.419 29.700 0.120 0.000 0.758 151 E HN 0.626 nan 8.360 nan 0.000 0.467 152 W N 1.998 123.294 121.300 -0.006 0.000 2.379 152 W HA -0.127 4.533 4.660 0.001 0.000 0.307 152 W C 2.409 178.876 176.519 -0.086 0.000 1.200 152 W CA 2.358 59.683 57.345 -0.033 0.000 1.297 152 W CB -0.348 29.119 29.460 0.011 0.000 1.140 152 W HN 0.035 nan 8.180 nan 0.000 0.507 153 A N 0.746 123.611 122.820 0.074 0.000 1.972 153 A HA -0.049 4.271 4.320 0.001 0.000 0.219 153 A C 2.044 179.402 177.584 -0.376 0.000 1.169 153 A CA 2.166 54.097 52.037 -0.177 0.000 0.635 153 A CB -1.511 17.678 19.000 0.315 0.000 0.810 153 A HN 0.473 nan 8.150 nan 0.000 0.446 154 A N -0.512 122.137 122.820 -0.285 0.000 2.125 154 A HA -0.106 4.214 4.320 0.001 0.000 0.219 154 A C 1.536 178.800 177.584 -0.533 0.000 1.156 154 A CA 1.331 53.113 52.037 -0.424 0.000 0.671 154 A CB -0.366 18.241 19.000 -0.656 0.000 0.794 154 A HN 0.573 nan 8.150 nan 0.000 0.459 155 N N -0.171 118.187 118.700 -0.570 0.000 2.235 155 N HA 0.063 4.804 4.740 0.001 0.000 0.231 155 N C -0.527 174.582 175.510 -0.668 0.000 1.177 155 N CA -0.019 52.711 53.050 -0.533 0.000 0.874 155 N CB 0.433 38.675 38.487 -0.408 0.000 1.097 155 N HN 0.436 nan 8.380 nan 0.000 0.518 156 Q N 0.237 119.473 119.800 -0.940 0.000 2.260 156 Q HA 0.226 4.566 4.340 0.001 0.000 0.238 156 Q C 1.349 176.779 176.000 -0.949 0.000 0.948 156 Q CA -0.115 54.972 55.803 -1.193 0.000 0.895 156 Q CB 1.092 28.534 28.738 -2.160 0.000 1.218 156 Q HN 0.136 nan 8.270 nan 0.000 0.470 157 S N -0.051 115.159 115.700 -0.815 0.000 2.447 157 S HA -0.078 4.392 4.470 0.001 0.000 0.233 157 S C 1.159 175.573 174.600 -0.311 0.000 1.006 157 S CA 0.792 58.725 58.200 -0.445 0.000 0.957 157 S CB -0.241 62.799 63.200 -0.266 0.000 0.773 157 S HN 0.803 nan 8.310 nan 0.000 0.507 158 W N 1.372 122.617 121.300 -0.091 0.000 3.290 158 W HA 0.535 5.196 4.660 0.001 0.000 0.287 158 W C 0.361 176.869 176.519 -0.017 0.000 1.288 158 W CA -0.439 56.899 57.345 -0.011 0.000 1.725 158 W CB -0.567 28.949 29.460 0.092 0.000 1.103 158 W HN 0.233 nan 8.180 nan 0.000 0.670 159 S N 2.930 118.592 115.700 -0.062 0.000 2.462 159 S HA 0.111 4.582 4.470 0.001 0.000 0.294 159 S C 0.991 175.519 174.600 -0.119 0.000 1.144 159 S CA -0.489 57.696 58.200 -0.025 0.000 1.088 159 S CB 0.671 63.706 63.200 -0.275 0.000 1.009 159 S HN 0.230 nan 8.310 nan 0.000 0.484 160 N N 3.585 122.246 118.700 -0.066 0.000 2.370 160 N HA 0.180 4.921 4.740 0.001 0.000 0.198 160 N C 1.146 176.605 175.510 -0.085 0.000 1.156 160 N CA 0.786 53.775 53.050 -0.102 0.000 0.839 160 N CB -0.119 38.309 38.487 -0.097 0.000 0.989 160 N HN 0.948 nan 8.380 nan 0.000 0.468 161 G N -0.471 108.269 108.800 -0.100 0.000 2.234 161 G HA2 -0.266 3.694 3.960 0.001 0.000 0.235 161 G HA3 -0.266 3.694 3.960 0.001 0.000 0.235 161 G C -0.458 174.457 174.900 0.026 0.000 0.997 161 G CA -0.124 44.928 45.100 -0.080 0.000 0.623 161 G HN 0.467 nan 8.290 nan 0.000 0.514 162 N N 0.811 119.515 118.700 0.007 0.000 2.426 162 N HA 0.605 5.346 4.740 0.001 0.000 0.257 162 N C -0.641 174.862 175.510 -0.012 0.000 1.002 162 N CA -0.102 52.953 53.050 0.007 0.000 0.942 162 N CB 1.319 39.790 38.487 -0.027 0.000 1.112 162 N HN 0.183 nan 8.380 nan 0.000 0.499 163 I N 0.912 121.481 120.570 -0.003 0.000 2.377 163 I HA 0.450 4.621 4.170 0.001 0.000 0.293 163 I C 0.954 177.002 176.117 -0.115 0.000 0.987 163 I CA -0.800 60.486 61.300 -0.023 0.000 1.185 163 I CB 1.554 39.583 38.000 0.048 0.000 1.341 163 I HN 0.425 nan 8.210 nan 0.000 0.455 164 G N 3.420 112.064 108.800 -0.261 0.000 2.530 164 G HA2 0.653 4.614 3.960 0.001 0.000 0.316 164 G HA3 0.653 4.614 3.960 0.001 0.000 0.316 164 G C -0.607 174.258 174.900 -0.059 0.000 1.298 164 G CA -0.509 44.370 45.100 -0.368 0.000 0.948 164 G HN 0.580 nan 8.290 nan 0.000 0.486 165 T N -0.191 114.470 114.554 0.178 0.000 2.929 165 T HA 0.712 5.062 4.350 0.001 0.000 0.284 165 T C -0.367 174.515 174.700 0.304 0.000 1.014 165 T CA -1.003 61.227 62.100 0.217 0.000 1.051 165 T CB 2.176 71.127 68.868 0.137 0.000 1.028 165 T HN 0.521 nan 8.240 nan 0.000 0.485 166 N N -0.432 118.404 118.700 0.227 0.000 2.555 166 N HA 0.598 5.338 4.740 0.001 0.000 0.265 166 N C -0.765 174.839 175.510 0.156 0.000 1.135 166 N CA 0.473 53.635 53.050 0.188 0.000 0.925 166 N CB 1.891 40.476 38.487 0.163 0.000 1.662 166 N HN 1.413 nan 8.380 nan 0.000 0.489 167 G N -0.043 108.804 108.800 0.077 0.000 2.353 167 G HA2 0.239 4.199 3.960 0.001 0.000 0.308 167 G HA3 0.239 4.199 3.960 0.001 0.000 0.308 167 G C -1.982 172.782 174.900 -0.227 0.000 1.418 167 G CA -0.484 44.546 45.100 -0.116 0.000 0.966 167 G HN 0.471 nan 8.290 nan 0.000 0.638 168 V N 0.779 120.518 119.914 -0.292 0.000 2.547 168 V HA 0.814 4.934 4.120 0.001 0.000 0.299 168 V C 1.285 177.393 176.094 0.023 0.000 1.040 168 V CA 1.038 63.210 62.300 -0.213 0.000 0.913 168 V CB 0.748 32.359 31.823 -0.354 0.000 0.992 168 V HN 2.570 nan 8.190 nan 0.000 0.449 169 S N 2.767 118.381 115.700 -0.143 0.000 4.142 169 S HA -0.364 4.106 4.470 0.001 0.000 0.624 169 S C 1.144 175.838 174.600 0.157 0.000 1.892 169 S CA 1.685 59.802 58.200 -0.139 0.000 4.236 169 S CB -1.677 61.764 63.200 0.401 0.000 0.204 169 S HN 1.068 nan 8.310 nan 0.000 0.486 170 Y N 1.916 122.504 120.300 0.481 0.000 2.102 170 Y HA -0.177 4.374 4.550 0.001 0.000 0.280 170 Y C 2.212 178.346 175.900 0.389 0.000 1.178 170 Y CA 2.556 61.055 58.100 0.664 0.000 1.146 170 Y CB -0.423 38.201 38.460 0.274 0.000 0.968 170 Y HN 0.456 nan 8.280 nan 0.000 0.504 171 L N -0.244 121.266 121.223 0.479 0.000 2.353 171 L HA -0.188 4.153 4.340 0.001 0.000 0.220 171 L C 2.414 179.400 176.870 0.193 0.000 1.133 171 L CA 1.660 56.693 54.840 0.321 0.000 0.798 171 L CB -1.033 41.155 42.059 0.215 0.000 0.922 171 L HN 0.335 nan 8.230 nan 0.000 0.445 172 A N -1.346 121.517 122.820 0.071 0.000 1.956 172 A HA 0.043 4.363 4.320 0.001 0.000 0.212 172 A C 2.257 179.740 177.584 -0.167 0.000 1.188 172 A CA 0.738 52.703 52.037 -0.119 0.000 0.675 172 A CB -0.483 18.398 19.000 -0.200 0.000 0.845 172 A HN 0.123 nan 8.150 nan 0.000 0.455 173 V N 1.203 121.068 119.914 -0.082 0.000 2.407 173 V HA -0.224 3.896 4.120 0.001 0.000 0.248 173 V C 2.869 179.052 176.094 0.149 0.000 1.055 173 V CA 2.396 64.623 62.300 -0.122 0.000 1.049 173 V CB -1.459 29.829 31.823 -0.893 0.000 0.662 173 V HN 0.789 nan 8.190 nan 0.000 0.455 174 T N -1.980 112.753 114.554 0.299 0.000 2.962 174 T HA -0.192 4.159 4.350 0.001 0.000 0.270 174 T C 1.701 176.653 174.700 0.420 0.000 1.088 174 T CA 1.167 63.584 62.100 0.528 0.000 1.127 174 T CB -0.229 69.047 68.868 0.679 0.000 0.883 174 T HN 0.555 nan 8.240 nan 0.000 0.493 175 Q N -0.114 119.789 119.800 0.173 0.000 2.096 175 Q HA 0.032 4.373 4.340 0.001 0.000 0.197 175 Q C 1.992 177.967 176.000 -0.042 0.000 0.964 175 Q CA 1.094 56.866 55.803 -0.051 0.000 0.838 175 Q CB -0.264 28.352 28.738 -0.203 0.000 0.906 175 Q HN 0.682 nan 8.270 nan 0.000 0.444 176 W N -0.264 121.061 121.300 0.041 0.000 2.338 176 W HA -0.226 4.434 4.660 0.001 0.000 0.304 176 W C 1.760 178.270 176.519 -0.015 0.000 1.212 176 W CA 0.275 57.593 57.345 -0.045 0.000 1.264 176 W CB -0.394 28.967 29.460 -0.165 0.000 1.142 176 W HN 0.237 nan 8.180 nan 0.000 0.512 177 W N -0.756 120.704 121.300 0.267 0.000 2.353 177 W HA -0.222 4.438 4.660 0.001 0.000 0.319 177 W C 2.586 179.193 176.519 0.146 0.000 1.207 177 W CA 1.461 58.929 57.345 0.204 0.000 1.291 177 W CB -1.175 28.420 29.460 0.224 0.000 1.159 177 W HN -0.356 nan 8.180 nan 0.000 0.478 178 V N 0.870 120.982 119.914 0.329 0.000 2.392 178 V HA -0.271 3.850 4.120 0.001 0.000 0.249 178 V C 2.005 178.171 176.094 0.120 0.000 1.059 178 V CA 2.387 64.765 62.300 0.130 0.000 1.051 178 V CB -0.890 30.703 31.823 -0.383 0.000 0.658 178 V HN 0.181 nan 8.190 nan 0.000 0.455 179 A N -0.095 122.779 122.820 0.090 0.000 2.015 179 A HA -0.136 4.185 4.320 0.001 0.000 0.219 179 A C 2.503 180.170 177.584 0.140 0.000 1.163 179 A CA 1.846 53.937 52.037 0.089 0.000 0.646 179 A CB -0.790 18.259 19.000 0.082 0.000 0.806 179 A HN 0.869 nan 8.150 nan 0.000 0.448 180 S N -0.274 115.534 115.700 0.179 0.000 2.442 180 S HA -0.030 4.440 4.470 0.001 0.000 0.236 180 S C 1.557 176.267 174.600 0.183 0.000 1.007 180 S CA 1.297 59.593 58.200 0.160 0.000 0.965 180 S CB -0.481 62.800 63.200 0.136 0.000 0.773 180 S HN 0.479 nan 8.310 nan 0.000 0.504 181 L N 0.706 122.068 121.223 0.231 0.000 2.567 181 L HA 0.237 4.578 4.340 0.001 0.000 0.225 181 L C 0.151 177.185 176.870 0.273 0.000 1.119 181 L CA -0.115 54.880 54.840 0.259 0.000 0.871 181 L CB -0.630 41.636 42.059 0.344 0.000 1.036 181 L HN 0.288 nan 8.230 nan 0.000 0.459 182 N N 0.334 119.148 118.700 0.189 0.000 2.681 182 N HA -0.096 4.645 4.740 0.001 0.000 0.259 182 N C -2.345 173.230 175.510 0.110 0.000 1.066 182 N CA 0.082 53.207 53.050 0.126 0.000 0.717 182 N CB -0.919 37.632 38.487 0.107 0.000 0.885 182 N HN 0.157 nan 8.380 nan 0.000 0.547 183 P HA 0.100 nan 4.420 nan 0.000 0.267 183 P C -1.553 175.631 177.300 -0.192 0.000 1.205 183 P CA -0.883 61.999 63.100 -0.362 0.000 0.765 183 P CB 0.344 31.752 31.700 -0.486 0.000 0.828 184 P HA -0.171 nan 4.420 nan 0.000 0.217 184 P C 0.604 177.638 177.300 -0.443 0.000 1.148 184 P CA 1.733 64.665 63.100 -0.280 0.000 0.828 184 P CB -0.136 31.373 31.700 -0.318 0.000 0.783 185 H N -2.939 116.073 119.070 -0.096 0.000 2.549 185 H HA 0.215 4.771 4.556 0.001 0.000 0.279 185 H C 0.242 175.529 175.328 -0.068 0.000 1.018 185 H CA -0.524 55.480 56.048 -0.073 0.000 1.175 185 H CB -0.210 29.508 29.762 -0.073 0.000 1.485 185 H HN -0.006 nan 8.280 nan 0.000 0.543 186 L N 2.099 123.306 121.223 -0.026 0.000 2.433 186 L HA 0.093 4.433 4.340 0.001 0.000 0.284 186 L C 0.487 177.347 176.870 -0.017 0.000 1.120 186 L CA 0.073 54.897 54.840 -0.027 0.000 0.879 186 L CB 0.373 42.401 42.059 -0.052 0.000 1.232 186 L HN -0.023 nan 8.230 nan 0.000 0.454 187 K N 3.873 124.266 120.400 -0.011 0.000 2.361 187 K HA 0.517 4.838 4.320 0.001 0.000 0.194 187 K C 0.211 176.809 176.600 -0.003 0.000 1.032 187 K CA 0.600 56.891 56.287 0.006 0.000 1.048 187 K CB 0.426 32.933 32.500 0.012 0.000 0.842 187 K HN 0.603 nan 8.250 nan 0.000 0.526 191 P HA -0.035 nan 4.420 nan 0.000 0.274 191 P C -0.454 176.729 177.300 -0.195 0.000 1.291 191 P CA 0.258 63.122 63.100 -0.394 0.000 0.815 191 P CB 0.426 31.463 31.700 -1.105 0.000 0.897 192 W N 6.031 127.183 121.300 -0.247 0.000 2.228 192 W HA 0.141 4.801 4.660 0.001 0.000 0.364 192 W C -0.372 175.988 176.519 -0.265 0.000 0.917 192 W CA 0.071 57.298 57.345 -0.196 0.000 1.513 192 W CB -0.274 29.109 29.460 -0.128 0.000 1.494 192 W HN 0.574 nan 8.180 nan 0.000 0.346 193 E N 1.996 122.039 120.200 -0.261 0.000 3.726 193 E HA -0.138 4.212 4.350 0.001 0.000 0.165 193 E C -0.096 176.274 176.600 -0.384 0.000 1.525 193 E CA 0.609 56.849 56.400 -0.267 0.000 0.867 193 E CB -1.293 28.268 29.700 -0.231 0.000 1.077 193 E HN 0.619 nan 8.360 nan 0.000 0.378 194 G N 1.822 110.525 108.800 -0.160 0.000 2.732 194 G HA2 0.565 4.526 3.960 0.001 0.000 0.295 194 G HA3 0.565 4.526 3.960 0.001 0.000 0.295 194 G C 0.073 175.091 174.900 0.197 0.000 1.456 194 G CA -0.824 44.197 45.100 -0.130 0.000 1.050 194 G HN 0.265 nan 8.290 nan 0.000 0.525 195 L N 0.705 122.050 121.223 0.202 0.000 2.456 195 L HA 0.535 4.876 4.340 0.001 0.000 0.266 195 L C 0.579 177.367 176.870 -0.136 0.000 1.258 195 L CA 0.058 54.891 54.840 -0.011 0.000 0.823 195 L CB 0.237 42.238 42.059 -0.095 0.000 1.100 195 L HN 0.650 nan 8.230 nan 0.000 0.531 196 N N -3.174 115.394 118.700 -0.220 0.000 2.127 196 N HA 0.232 4.973 4.740 0.001 0.000 0.229 196 N C -0.883 174.523 175.510 -0.173 0.000 1.374 196 N CA -0.288 52.603 53.050 -0.265 0.000 0.763 196 N CB -0.089 38.088 38.487 -0.517 0.000 1.269 196 N HN 0.806 nan 8.380 nan 0.000 0.516 200 R N 0.722 121.042 120.500 -0.301 0.000 2.200 200 R HA 0.086 4.426 4.340 0.001 0.000 0.208 200 R C 0.858 176.931 176.300 -0.379 0.000 1.033 200 R CA 1.650 57.524 56.100 -0.376 0.000 1.000 200 R CB 0.147 30.243 30.300 -0.340 0.000 0.906 200 R HN 0.475 nan 8.270 nan 0.000 0.462 201 E N -1.174 118.821 120.200 -0.342 0.000 2.421 201 E HA 0.035 4.385 4.350 0.001 0.000 0.209 201 E C 1.156 177.550 176.600 -0.344 0.000 0.871 201 E CA 0.119 56.355 56.400 -0.273 0.000 1.064 201 E CB 1.064 30.652 29.700 -0.186 0.000 1.075 201 E HN -0.033 nan 8.360 nan 0.000 0.513 202 V N -0.629 119.052 119.914 -0.387 0.000 3.161 202 V HA 0.266 4.386 4.120 0.001 0.000 0.228 202 V C 1.479 177.225 176.094 -0.581 0.000 1.415 202 V CA 0.970 63.095 62.300 -0.292 0.000 1.285 202 V CB 0.807 32.669 31.823 0.066 0.000 1.100 202 V HN 0.197 nan 8.190 nan 0.000 0.478 203 A N -0.098 122.230 122.820 -0.819 0.000 1.968 203 A HA 0.322 4.642 4.320 0.001 0.000 0.217 203 A C 0.616 177.267 177.584 -1.555 0.000 1.169 203 A CA 1.178 52.316 52.037 -1.499 0.000 0.638 203 A CB -0.219 18.039 19.000 -1.237 0.000 0.812 203 A HN 0.544 nan 8.150 nan 0.000 0.446 204 F N -2.867 116.438 119.950 -1.075 0.000 2.613 204 F HA 0.497 5.025 4.527 0.001 0.000 0.310 204 F C -0.557 174.566 175.800 -1.127 0.000 1.085 204 F CA -0.814 56.577 58.000 -1.015 0.000 0.945 204 F CB 1.518 39.783 39.000 -1.225 0.000 1.298 204 F HN 0.027 nan 8.300 nan 0.000 0.455 205 H N 0.015 118.802 119.070 -0.471 0.000 2.762 205 H HA 0.488 5.045 4.556 0.001 0.000 0.310 205 H C 0.498 175.573 175.328 -0.422 0.000 1.004 205 H CA -0.261 55.429 56.048 -0.597 0.000 1.267 205 H CB 1.458 30.479 29.762 -1.236 0.000 1.437 205 H HN 0.916 nan 8.280 nan 0.000 0.498 206 G N 2.174 110.865 108.800 -0.182 0.000 2.198 206 G HA2 -0.177 3.784 3.960 0.001 0.000 0.260 206 G HA3 -0.177 3.784 3.960 0.001 0.000 0.260 206 G C 1.127 175.963 174.900 -0.107 0.000 1.025 206 G CA 0.499 45.570 45.100 -0.048 0.000 0.769 206 G HN 1.424 nan 8.290 nan 0.000 0.507 207 G N -1.658 106.910 108.800 -0.387 0.000 2.195 207 G HA2 -0.230 3.730 3.960 0.001 0.000 0.246 207 G HA3 -0.230 3.730 3.960 0.001 0.000 0.246 207 G C 0.364 175.020 174.900 -0.407 0.000 0.984 207 G CA 0.376 45.105 45.100 -0.617 0.000 0.633 207 G HN 1.376 nan 8.290 nan 0.000 0.525 208 I N 2.962 123.392 120.570 -0.234 0.000 2.325 208 I HA 0.352 4.522 4.170 0.001 0.000 0.291 208 I C -2.045 174.082 176.117 0.016 0.000 1.019 208 I CA -2.419 58.833 61.300 -0.080 0.000 1.302 208 I CB 1.512 39.408 38.000 -0.174 0.000 1.401 208 I HN -0.143 nan 8.210 nan 0.000 0.485 209 P HA 0.016 nan 4.420 nan 0.000 0.271 209 P C -0.750 176.407 177.300 -0.239 0.000 1.226 209 P CA -0.248 62.670 63.100 -0.303 0.000 0.765 209 P CB 0.430 32.036 31.700 -0.156 0.000 0.835 210 D N 2.658 122.794 120.400 -0.441 0.000 2.342 210 D HA 0.013 4.654 4.640 0.001 0.000 0.260 210 D C 0.956 177.193 176.300 -0.106 0.000 1.278 210 D CA 0.159 53.967 54.000 -0.319 0.000 0.910 210 D CB 0.223 40.876 40.800 -0.244 0.000 1.079 210 D HN 0.267 nan 8.370 nan 0.000 0.496 211 T N 0.306 114.817 114.554 -0.072 0.000 3.129 211 T HA 0.240 4.590 4.350 0.001 0.000 0.251 211 T C 1.198 175.948 174.700 0.084 0.000 1.117 211 T CA 0.218 62.338 62.100 0.034 0.000 1.034 211 T CB 0.424 69.316 68.868 0.039 0.000 0.968 211 T HN 0.281 nan 8.240 nan 0.000 0.526 212 G N 0.715 109.582 108.800 0.112 0.000 2.992 212 G HA2 0.328 4.289 3.960 0.001 0.000 0.201 212 G HA3 0.328 4.289 3.960 0.001 0.000 0.201 212 G C 0.667 175.723 174.900 0.260 0.000 2.057 212 G CA -0.197 44.992 45.100 0.150 0.000 0.800 212 G HN 0.202 nan 8.290 nan 0.000 0.700 213 F N 0.232 120.310 119.950 0.213 0.000 2.085 213 F HA -0.255 4.273 4.527 0.001 0.000 0.299 213 F C 2.365 178.492 175.800 0.544 0.000 1.096 213 F CA 2.388 60.606 58.000 0.362 0.000 1.227 213 F CB -0.397 38.872 39.000 0.447 0.000 0.983 213 F HN 0.282 nan 8.300 nan 0.000 0.482 214 Y N 1.401 121.935 120.300 0.390 0.000 2.102 214 Y HA -0.297 4.254 4.550 0.001 0.000 0.280 214 Y C 2.518 178.602 175.900 0.308 0.000 1.178 214 Y CA 2.392 60.696 58.100 0.339 0.000 1.146 214 Y CB -0.550 38.033 38.460 0.206 0.000 0.968 214 Y HN 0.070 nan 8.280 nan 0.000 0.504 215 R N -1.325 119.272 120.500 0.163 0.000 2.062 215 R HA -0.102 4.239 4.340 0.001 0.000 0.226 215 R C 2.298 178.611 176.300 0.022 0.000 1.125 215 R CA 1.283 57.398 56.100 0.026 0.000 0.966 215 R CB -1.051 29.308 30.300 0.097 0.000 0.861 215 R HN 0.450 nan 8.270 nan 0.000 0.433 216 F N 0.941 120.840 119.950 -0.085 0.000 2.063 216 F HA -0.315 4.212 4.527 0.001 0.000 0.298 216 F C 2.207 177.909 175.800 -0.164 0.000 1.109 216 F CA 1.784 59.710 58.000 -0.123 0.000 1.212 216 F CB -0.473 38.465 39.000 -0.103 0.000 0.973 216 F HN 0.108 nan 8.300 nan 0.000 0.480 217 W N 1.753 122.832 121.300 -0.368 0.000 2.335 217 W HA -0.211 4.450 4.660 0.001 0.000 0.311 217 W C 2.389 178.730 176.519 -0.298 0.000 1.213 217 W CA 3.097 60.163 57.345 -0.464 0.000 1.274 217 W CB -0.900 28.242 29.460 -0.531 0.000 1.148 217 W HN 0.022 nan 8.180 nan 0.000 0.498 218 T N 0.992 115.312 114.554 -0.390 0.000 2.737 218 T HA -0.238 4.113 4.350 0.001 0.000 0.265 218 T C 1.733 176.263 174.700 -0.284 0.000 1.038 218 T CA 1.595 63.399 62.100 -0.493 0.000 1.144 218 T CB -0.576 68.104 68.868 -0.312 0.000 0.866 218 T HN 0.164 nan 8.240 nan 0.000 0.434 219 Q N 0.915 120.555 119.800 -0.267 0.000 2.077 219 Q HA -0.100 4.240 4.340 0.001 0.000 0.206 219 Q C 2.766 178.613 176.000 -0.256 0.000 0.989 219 Q CA 1.991 57.651 55.803 -0.238 0.000 0.853 219 Q CB -1.180 27.421 28.738 -0.228 0.000 0.907 219 Q HN 0.634 nan 8.270 nan 0.000 0.418 220 G N 0.631 109.174 108.800 -0.428 0.000 2.448 220 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 220 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 220 G C 1.535 176.191 174.900 -0.408 0.000 1.127 220 G CA 0.445 45.263 45.100 -0.471 0.000 0.766 220 G HN 0.277 nan 8.290 nan 0.000 0.552 221 I N -0.676 119.659 120.570 -0.392 0.000 2.333 221 I HA -0.015 4.156 4.170 0.001 0.000 0.246 221 I C 2.349 178.354 176.117 -0.187 0.000 1.106 221 I CA 0.525 61.633 61.300 -0.320 0.000 1.411 221 I CB -0.206 37.551 38.000 -0.404 0.000 1.082 221 I HN 0.061 nan 8.210 nan 0.000 0.420 222 F N 1.290 121.094 119.950 -0.244 0.000 2.069 222 F HA -0.240 4.288 4.527 0.001 0.000 0.298 222 F C 2.704 178.399 175.800 -0.174 0.000 1.113 222 F CA 1.687 59.595 58.000 -0.152 0.000 1.214 222 F CB -0.957 37.957 39.000 -0.143 0.000 0.978 222 F HN -0.002 nan 8.300 nan 0.000 0.474 223 A N -0.350 122.454 122.820 -0.027 0.000 2.032 223 A HA -0.284 4.037 4.320 0.001 0.000 0.221 223 A C 2.149 179.568 177.584 -0.276 0.000 1.165 223 A CA 2.079 54.030 52.037 -0.143 0.000 0.645 223 A CB -0.786 18.101 19.000 -0.187 0.000 0.807 223 A HN 0.314 nan 8.150 nan 0.000 0.453 224 R N -1.481 118.761 120.500 -0.431 0.000 2.092 224 R HA -0.101 4.239 4.340 0.001 0.000 0.231 224 R C -0.198 175.521 176.300 -0.969 0.000 1.119 224 R CA 1.149 56.757 56.100 -0.821 0.000 0.970 224 R CB -0.223 29.441 30.300 -1.060 0.000 0.864 224 R HN 0.643 nan 8.270 nan 0.000 0.440 225 W N 0.356 121.581 121.300 -0.125 0.000 2.148 225 W HA 0.248 4.909 4.660 0.001 0.000 0.288 225 W C 0.647 177.105 176.519 -0.101 0.000 0.920 225 W CA -0.396 56.877 57.345 -0.120 0.000 1.904 225 W CB 0.907 30.278 29.460 -0.149 0.000 2.083 225 W HN 0.020 nan 8.180 nan 0.000 0.398 226 T N -3.489 111.107 114.554 0.070 0.000 2.962 226 T HA -0.227 4.124 4.350 0.001 0.000 0.270 226 T C 1.075 175.809 174.700 0.056 0.000 1.088 226 T CA 1.618 63.746 62.100 0.046 0.000 1.127 226 T CB -0.051 68.820 68.868 0.005 0.000 0.883 226 T HN 0.311 nan 8.240 nan 0.000 0.493 227 D N 0.750 121.191 120.400 0.070 0.000 2.370 227 D HA 0.072 4.713 4.640 0.001 0.000 0.230 227 D C 0.093 176.409 176.300 0.026 0.000 1.143 227 D CA -0.386 53.639 54.000 0.042 0.000 0.834 227 D CB -0.511 40.311 40.800 0.037 0.000 0.944 227 D HN 0.331 nan 8.370 nan 0.000 0.504 228 N N 1.456 120.173 118.700 0.028 0.000 2.524 228 N HA 0.192 4.933 4.740 0.001 0.000 0.261 228 N C -2.491 172.997 175.510 -0.037 0.000 0.998 228 N CA -1.855 51.180 53.050 -0.026 0.000 0.915 228 N CB 2.178 40.630 38.487 -0.059 0.000 1.187 228 N HN -0.169 nan 8.380 nan 0.000 0.507 229 P HA 0.337 nan 4.420 nan 0.000 0.249 229 P C -0.624 176.667 177.300 -0.015 0.000 1.583 229 P CA 0.011 63.112 63.100 0.001 0.000 0.988 229 P CB 0.168 31.876 31.700 0.013 0.000 1.530 230 N N -0.105 118.555 118.700 -0.067 0.000 2.240 230 N HA 0.218 4.958 4.740 0.001 0.000 0.240 230 N C 0.185 175.620 175.510 -0.125 0.000 1.277 230 N CA -0.183 52.825 53.050 -0.070 0.000 0.873 230 N CB 0.884 39.331 38.487 -0.065 0.000 1.222 230 N HN 0.230 nan 8.380 nan 0.000 0.507 231 I N 0.966 121.389 120.570 -0.246 0.000 2.472 231 I HA 0.095 4.266 4.170 0.001 0.000 0.290 231 I C 1.011 176.975 176.117 -0.254 0.000 1.016 231 I CA -0.480 60.567 61.300 -0.420 0.000 1.348 231 I CB 1.177 38.590 38.000 -0.978 0.000 1.417 231 I HN -0.060 nan 8.210 nan 0.000 0.521 232 E N 4.612 124.739 120.200 -0.121 0.000 2.316 232 E HA -0.037 4.313 4.350 0.001 0.000 0.275 232 E C -0.643 176.099 176.600 0.237 0.000 1.029 232 E CA -0.542 55.902 56.400 0.074 0.000 0.871 232 E CB 0.691 30.450 29.700 0.099 0.000 1.022 232 E HN 0.401 nan 8.360 nan 0.000 0.418 233 D N 5.263 125.837 120.400 0.291 0.000 2.435 233 D HA 0.032 4.672 4.640 0.001 0.000 0.230 233 D C 0.683 177.108 176.300 0.209 0.000 1.215 233 D CA 0.148 54.316 54.000 0.281 0.000 0.947 233 D CB 0.355 41.252 40.800 0.162 0.000 1.048 233 D HN 0.562 nan 8.370 nan 0.000 0.512 234 L N 3.623 124.982 121.223 0.225 0.000 2.418 234 L HA -0.045 4.295 4.340 0.001 0.000 0.218 234 L C 1.823 178.889 176.870 0.328 0.000 1.125 234 L CA 0.020 55.039 54.840 0.299 0.000 0.835 234 L CB 0.136 42.373 42.059 0.297 0.000 0.953 234 L HN 0.448 nan 8.230 nan 0.000 0.454 235 I N -0.417 120.251 120.570 0.163 0.000 2.406 235 I HA -0.224 3.946 4.170 0.001 0.000 0.249 235 I C 2.464 178.685 176.117 0.173 0.000 1.122 235 I CA 1.197 62.606 61.300 0.180 0.000 1.431 235 I CB -1.059 36.962 38.000 0.036 0.000 1.087 235 I HN 0.390 nan 8.210 nan 0.000 0.424 236 Q N 1.286 121.151 119.800 0.108 0.000 2.096 236 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 236 Q C 2.286 178.336 176.000 0.083 0.000 0.982 236 Q CA 2.228 58.075 55.803 0.074 0.000 0.850 236 Q CB 0.030 28.791 28.738 0.039 0.000 0.901 236 Q HN 0.450 nan 8.270 nan 0.000 0.422 237 A N 0.778 123.657 122.820 0.099 0.000 1.933 237 A HA -0.271 4.049 4.320 0.001 0.000 0.218 237 A C 1.992 179.783 177.584 0.344 0.000 1.175 237 A CA 1.705 53.745 52.037 0.005 0.000 0.628 237 A CB -0.752 18.134 19.000 -0.190 0.000 0.814 237 A HN 0.632 nan 8.150 nan 0.000 0.444 238 Q N -0.918 119.198 119.800 0.527 0.000 2.084 238 Q HA -0.272 4.069 4.340 0.001 0.000 0.202 238 Q C 2.250 178.526 176.000 0.459 0.000 0.978 238 Q CA 1.944 58.096 55.803 0.582 0.000 0.844 238 Q CB -0.135 28.779 28.738 0.293 0.000 0.898 238 Q HN 0.810 nan 8.270 nan 0.000 0.426 239 Q N 0.094 120.056 119.800 0.269 0.000 2.083 239 Q HA -0.146 4.194 4.340 0.001 0.000 0.198 239 Q C 1.398 177.474 176.000 0.126 0.000 0.969 239 Q CA 1.560 57.470 55.803 0.178 0.000 0.838 239 Q CB 0.224 29.024 28.738 0.103 0.000 0.900 239 Q HN 0.402 nan 8.270 nan 0.000 0.436 240 E N -1.103 119.113 120.200 0.026 0.000 2.371 240 E HA -0.045 4.306 4.350 0.001 0.000 0.194 240 E C -0.185 176.219 176.600 -0.327 0.000 1.012 240 E CA 0.218 56.499 56.400 -0.198 0.000 0.860 240 E CB 0.423 29.894 29.700 -0.382 0.000 0.811 240 E HN 0.347 nan 8.360 nan 0.000 0.502 241 H N -0.273 118.929 119.070 0.219 0.000 2.348 241 H HA 0.150 4.707 4.556 0.001 0.000 0.232 241 H C -1.993 173.687 175.328 0.587 0.000 1.419 241 H CA -1.817 54.430 56.048 0.331 0.000 1.416 241 H CB 0.900 30.752 29.762 0.149 0.000 1.510 241 H HN 0.093 nan 8.280 nan 0.000 0.507 242 P HA -0.092 nan 4.420 nan 0.000 0.222 242 P C 0.464 177.860 177.300 0.160 0.000 1.147 242 P CA 0.983 64.261 63.100 0.296 0.000 0.790 242 P CB 0.841 32.689 31.700 0.247 0.000 0.780 243 L N -2.735 118.624 121.223 0.226 0.000 2.286 243 L HA 0.423 4.763 4.340 0.001 0.000 0.265 243 L C 0.143 176.921 176.870 -0.154 0.000 1.012 243 L CA -1.330 53.544 54.840 0.057 0.000 0.818 243 L CB 0.964 43.062 42.059 0.065 0.000 1.337 243 L HN -0.311 nan 8.230 nan 0.000 0.438 244 F N 2.708 122.283 119.950 -0.624 0.000 2.651 244 F HA 0.127 4.655 4.527 0.001 0.000 0.347 244 F C 0.196 175.948 175.800 -0.080 0.000 1.284 244 F CA -1.054 56.604 58.000 -0.570 0.000 1.175 244 F CB -0.861 37.818 39.000 -0.536 0.000 1.542 244 F HN 0.455 nan 8.300 nan 0.000 0.661 245 D N 1.213 121.529 120.400 -0.140 0.000 2.595 245 D HA 0.141 4.781 4.640 0.001 0.000 0.268 245 D C 0.692 176.875 176.300 -0.195 0.000 1.181 245 D CA -0.463 53.471 54.000 -0.110 0.000 1.085 245 D CB 0.219 41.070 40.800 0.085 0.000 1.186 245 D HN 0.137 nan 8.370 nan 0.000 0.621 246 D N -1.156 119.182 120.400 -0.103 0.000 2.219 246 D HA -0.089 4.552 4.640 0.001 0.000 0.205 246 D C 1.566 177.783 176.300 -0.137 0.000 0.970 246 D CA 0.525 54.454 54.000 -0.119 0.000 0.851 246 D CB -0.242 40.524 40.800 -0.057 0.000 0.943 246 D HN 0.298 nan 8.370 nan 0.000 0.488 247 F N -0.205 119.553 119.950 -0.320 0.000 2.095 247 F HA -0.195 4.332 4.527 0.001 0.000 0.298 247 F C 1.854 177.423 175.800 -0.385 0.000 1.104 247 F CA 1.578 59.265 58.000 -0.521 0.000 1.232 247 F CB -0.282 37.980 39.000 -1.231 0.000 0.987 247 F HN -0.047 nan 8.300 nan 0.000 0.475 248 W N 0.525 121.844 121.300 0.032 0.000 2.523 248 W HA 0.063 4.723 4.660 0.001 0.000 0.278 248 W C 2.321 178.877 176.519 0.061 0.000 1.236 248 W CA 0.309 57.751 57.345 0.161 0.000 1.306 248 W CB -0.256 29.437 29.460 0.389 0.000 1.101 248 W HN -0.226 nan 8.180 nan 0.000 0.577 249 K N 0.596 120.902 120.400 -0.157 0.000 2.152 249 K HA -0.233 4.088 4.320 0.001 0.000 0.206 249 K C 1.708 178.378 176.600 0.116 0.000 1.048 249 K CA 1.413 57.615 56.287 -0.141 0.000 0.933 249 K CB -0.329 31.966 32.500 -0.341 0.000 0.721 249 K HN 0.306 nan 8.250 nan 0.000 0.447 250 Q N -0.080 119.741 119.800 0.034 0.000 2.439 250 Q HA -0.066 4.275 4.340 0.001 0.000 0.211 250 Q C 0.947 177.138 176.000 0.320 0.000 0.978 250 Q CA 0.743 56.600 55.803 0.091 0.000 0.897 250 Q CB 0.293 28.959 28.738 -0.120 0.000 0.956 250 Q HN 0.075 nan 8.270 nan 0.000 0.483 251 R N -0.124 120.618 120.500 0.403 0.000 2.543 251 R HA 0.165 4.506 4.340 0.001 0.000 0.323 251 R C -0.311 176.358 176.300 0.614 0.000 1.002 251 R CA 0.039 56.515 56.100 0.626 0.000 1.106 251 R CB 0.553 31.207 30.300 0.589 0.000 1.280 251 R HN 0.218 nan 8.270 nan 0.000 0.549 252 Q N 1.294 121.358 119.800 0.440 0.000 2.314 252 Q HA 0.278 4.619 4.340 0.001 0.000 0.259 252 Q C -0.677 175.250 176.000 -0.122 0.000 0.951 252 Q CA -0.389 55.533 55.803 0.198 0.000 0.909 252 Q CB 1.639 30.573 28.738 0.327 0.000 1.236 252 Q HN -0.145 nan 8.270 nan 0.000 0.444 253 V N 6.737 126.333 119.914 -0.530 0.000 2.655 253 V HA 0.137 4.257 4.120 0.001 0.000 0.300 253 V C -1.917 173.953 176.094 -0.375 0.000 1.044 253 V CA -0.966 60.794 62.300 -0.901 0.000 1.095 253 V CB 0.739 32.016 31.823 -0.910 0.000 0.952 253 V HN 0.780 nan 8.190 nan 0.000 0.485 254 P HA 0.266 nan 4.420 nan 0.000 0.256 254 P C 0.627 177.867 177.300 -0.101 0.000 1.689 254 P CA -0.188 62.850 63.100 -0.104 0.000 1.124 254 P CB 0.600 32.287 31.700 -0.022 0.000 1.766 255 L N 1.983 123.125 121.223 -0.135 0.000 2.093 255 L HA -0.172 4.168 4.340 0.001 0.000 0.208 255 L C 2.489 179.319 176.870 -0.067 0.000 1.085 255 L CA 1.946 56.707 54.840 -0.131 0.000 0.755 255 L CB -0.853 41.071 42.059 -0.225 0.000 0.904 255 L HN 0.286 nan 8.230 nan 0.000 0.435 256 S N -0.874 114.785 115.700 -0.069 0.000 2.528 256 S HA -0.223 4.247 4.470 0.001 0.000 0.244 256 S C 1.698 176.287 174.600 -0.018 0.000 0.982 256 S CA 0.913 59.084 58.200 -0.050 0.000 0.953 256 S CB -0.343 62.822 63.200 -0.059 0.000 0.754 256 S HN 0.540 nan 8.310 nan 0.000 0.529 257 Q N 0.152 119.952 119.800 -0.001 0.000 2.389 257 Q HA 0.313 4.654 4.340 0.001 0.000 0.204 257 Q C 0.108 176.136 176.000 0.047 0.000 0.944 257 Q CA 0.164 55.983 55.803 0.027 0.000 0.908 257 Q CB -0.085 28.680 28.738 0.044 0.000 1.002 257 Q HN 0.614 nan 8.270 nan 0.000 0.493 258 I N 1.674 122.276 120.570 0.053 0.000 2.598 258 I HA -0.083 4.087 4.170 0.001 0.000 0.284 258 I C 0.830 176.986 176.117 0.065 0.000 1.140 258 I CA 0.760 62.110 61.300 0.083 0.000 1.420 258 I CB 0.669 38.750 38.000 0.136 0.000 1.387 258 I HN 0.035 nan 8.210 nan 0.000 0.553 259 K N 2.797 123.238 120.400 0.068 0.000 2.440 259 K HA 0.162 4.482 4.320 0.001 0.000 0.207 259 K C 0.094 176.736 176.600 0.071 0.000 1.112 259 K CA -0.027 56.295 56.287 0.058 0.000 1.036 259 K CB 0.755 33.284 32.500 0.049 0.000 0.935 259 K HN 0.541 nan 8.250 nan 0.000 0.564 260 T N 3.773 118.375 114.554 0.080 0.000 2.884 260 T HA 0.167 4.518 4.350 0.001 0.000 0.298 260 T C -2.607 172.153 174.700 0.099 0.000 0.998 260 T CA -1.323 60.822 62.100 0.075 0.000 1.124 260 T CB 0.953 69.863 68.868 0.069 0.000 0.931 260 T HN -0.128 nan 8.240 nan 0.000 0.531 261 P HA 0.154 nan 4.420 nan 0.000 0.264 261 P C -1.005 176.476 177.300 0.301 0.000 1.183 261 P CA -0.334 62.795 63.100 0.049 0.000 0.763 261 P CB 0.337 31.687 31.700 -0.583 0.000 0.807 262 L N 5.099 126.602 121.223 0.466 0.000 2.409 262 L HA 0.623 4.964 4.340 0.001 0.000 0.272 262 L C -1.675 175.333 176.870 0.231 0.000 0.980 262 L CA -0.817 54.238 54.840 0.358 0.000 0.826 262 L CB 1.725 43.962 42.059 0.296 0.000 1.268 262 L HN 0.119 nan 8.230 nan 0.000 0.407 263 L N 4.589 125.724 121.223 -0.147 0.000 2.342 263 L HA 0.707 5.048 4.340 0.001 0.000 0.276 263 L C -0.746 176.032 176.870 -0.152 0.000 0.997 263 L CA 0.294 54.947 54.840 -0.313 0.000 0.838 263 L CB 1.794 43.238 42.059 -1.025 0.000 1.224 263 L HN 0.712 nan 8.230 nan 0.000 0.416 264 T N 3.827 118.332 114.554 -0.082 0.000 2.824 264 T HA 0.413 4.763 4.350 0.001 0.000 0.280 264 T C -0.822 173.628 174.700 -0.416 0.000 0.995 264 T CA -0.317 61.688 62.100 -0.158 0.000 1.009 264 T CB 1.152 70.033 68.868 0.021 0.000 0.955 264 T HN 0.730 nan 8.240 nan 0.000 0.452 265 C N 3.322 122.239 119.300 -0.638 0.000 2.351 265 C HA 0.893 5.353 4.460 0.001 0.000 0.326 265 C C 0.121 174.631 174.990 -0.801 0.000 1.272 265 C CA -0.296 58.143 59.018 -0.964 0.000 1.650 265 C CB -1.059 25.445 27.740 -2.060 0.000 2.257 265 C HN 1.052 nan 8.230 nan 0.000 0.505 266 A N 3.995 126.268 122.820 -0.913 0.000 2.384 266 A HA 0.886 5.207 4.320 0.001 0.000 0.312 266 A C -0.634 176.353 177.584 -0.995 0.000 1.113 266 A CA -0.364 51.096 52.037 -0.962 0.000 0.779 266 A CB 1.716 19.762 19.000 -1.590 0.000 1.307 266 A HN 1.122 nan 8.150 nan 0.000 0.436 267 S N -0.695 114.547 115.700 -0.764 0.000 2.538 267 S HA 0.438 4.908 4.470 0.001 0.000 0.288 267 S C -0.046 174.331 174.600 -0.372 0.000 1.108 267 S CA -0.613 57.099 58.200 -0.813 0.000 0.971 267 S CB 0.480 63.266 63.200 -0.690 0.000 1.041 267 S HN 0.672 nan 8.310 nan 0.000 0.483 268 W N 2.491 123.637 121.300 -0.256 0.000 2.387 268 W HA -0.066 4.594 4.660 0.001 0.000 0.272 268 W C 1.858 178.321 176.519 -0.094 0.000 1.224 268 W CA 0.334 57.588 57.345 -0.150 0.000 1.210 268 W CB 0.043 29.381 29.460 -0.204 0.000 1.125 268 W HN 0.592 nan 8.180 nan 0.000 0.572 269 S N -1.081 114.672 115.700 0.088 0.000 2.575 269 S HA 0.002 4.473 4.470 0.001 0.000 0.215 269 S C 0.890 175.574 174.600 0.140 0.000 0.966 269 S CA 0.628 58.891 58.200 0.106 0.000 0.911 269 S CB 0.059 63.289 63.200 0.049 0.000 0.780 269 S HN 0.103 nan 8.310 nan 0.000 0.514 270 T N 1.880 116.488 114.554 0.089 0.000 3.296 270 T HA 0.217 4.568 4.350 0.001 0.000 0.285 270 T C -0.064 174.613 174.700 -0.040 0.000 1.014 270 T CA -0.340 61.794 62.100 0.056 0.000 0.920 270 T CB 0.148 69.008 68.868 -0.013 0.000 1.143 270 T HN 0.297 nan 8.240 nan 0.000 0.522 271 Q N 1.092 120.955 119.800 0.105 0.000 2.244 271 Q HA 0.407 4.747 4.340 0.001 0.000 0.278 271 Q C 1.274 177.377 176.000 0.171 0.000 1.093 271 Q CA 0.823 56.701 55.803 0.126 0.000 0.916 271 Q CB 0.460 29.294 28.738 0.160 0.000 1.159 271 Q HN 0.623 nan 8.270 nan 0.000 0.384 272 G N 1.653 110.479 108.800 0.043 0.000 2.316 272 G HA2 -0.223 3.737 3.960 0.001 0.000 0.203 272 G HA3 -0.223 3.737 3.960 0.001 0.000 0.203 272 G C -0.113 174.578 174.900 -0.349 0.000 0.999 272 G CA 0.195 45.269 45.100 -0.043 0.000 0.649 272 G HN 0.504 nan 8.290 nan 0.000 0.489 273 L N -1.065 119.730 121.223 -0.713 0.000 3.569 273 L HA 0.613 4.953 4.340 0.001 0.000 0.178 273 L C 1.828 178.365 176.870 -0.555 0.000 1.286 273 L CA 0.826 55.185 54.840 -0.800 0.000 0.952 273 L CB -0.366 40.891 42.059 -1.337 0.000 1.540 273 L HN 0.068 nan 8.230 nan 0.000 0.661 274 H N 0.091 119.006 119.070 -0.258 0.000 2.553 274 H HA 0.174 4.731 4.556 0.001 0.000 0.265 274 H C 1.442 176.682 175.328 -0.146 0.000 0.964 274 H CA 0.547 56.489 56.048 -0.177 0.000 1.156 274 H CB -0.047 29.622 29.762 -0.155 0.000 1.411 274 H HN 0.437 nan 8.280 nan 0.000 0.558 275 N N 2.111 120.792 118.700 -0.032 0.000 2.058 275 N HA -0.167 4.574 4.740 0.001 0.000 0.191 275 N C 2.063 177.658 175.510 0.141 0.000 1.037 275 N CA 0.970 54.046 53.050 0.043 0.000 0.848 275 N CB 0.106 38.651 38.487 0.096 0.000 1.021 275 N HN 0.295 nan 8.380 nan 0.000 0.422 276 R N -0.197 120.345 120.500 0.069 0.000 2.073 276 R HA -0.069 4.272 4.340 0.001 0.000 0.234 276 R C 2.301 178.614 176.300 0.023 0.000 1.134 276 R CA 1.778 57.913 56.100 0.059 0.000 0.952 276 R CB -0.702 29.578 30.300 -0.034 0.000 0.850 276 R HN 0.327 nan 8.270 nan 0.000 0.433 277 G N -0.761 108.001 108.800 -0.063 0.000 2.421 277 G HA2 -0.179 3.782 3.960 0.001 0.000 0.217 277 G HA3 -0.179 3.782 3.960 0.001 0.000 0.217 277 G C 1.399 176.176 174.900 -0.205 0.000 1.143 277 G CA 0.673 45.675 45.100 -0.163 0.000 0.784 277 G HN 0.320 nan 8.290 nan 0.000 0.541 278 S N 0.626 116.262 115.700 -0.106 0.000 2.368 278 S HA -0.065 4.405 4.470 0.001 0.000 0.225 278 S C 1.964 176.415 174.600 -0.248 0.000 1.030 278 S CA 1.022 59.139 58.200 -0.139 0.000 0.999 278 S CB -0.366 62.643 63.200 -0.319 0.000 0.844 278 S HN 0.344 nan 8.310 nan 0.000 0.459 279 F N 1.834 121.693 119.950 -0.152 0.000 2.146 279 F HA -0.006 4.521 4.527 0.001 0.000 0.298 279 F C 2.574 178.362 175.800 -0.019 0.000 1.096 279 F CA 0.826 58.750 58.000 -0.126 0.000 1.275 279 F CB -0.373 38.524 39.000 -0.171 0.000 1.008 279 F HN 0.079 nan 8.300 nan 0.000 0.480 280 E N 0.138 120.384 120.200 0.076 0.000 2.153 280 E HA -0.124 4.226 4.350 0.001 0.000 0.194 280 E C 2.558 179.028 176.600 -0.217 0.000 0.988 280 E CA 1.075 57.469 56.400 -0.011 0.000 0.811 280 E CB -0.970 28.714 29.700 -0.026 0.000 0.746 280 E HN 0.444 nan 8.360 nan 0.000 0.466 281 G N 0.647 109.136 108.800 -0.518 0.000 2.421 281 G HA2 -0.269 3.692 3.960 0.001 0.000 0.216 281 G HA3 -0.269 3.692 3.960 0.001 0.000 0.216 281 G C 1.489 176.210 174.900 -0.297 0.000 1.171 281 G CA 0.579 45.086 45.100 -0.988 0.000 0.775 281 G HN 0.267 nan 8.290 nan 0.000 0.543 282 F N 1.724 121.595 119.950 -0.131 0.000 2.095 282 F HA -0.006 4.521 4.527 0.001 0.000 0.298 282 F C 2.671 178.487 175.800 0.026 0.000 1.104 282 F CA 1.871 59.888 58.000 0.027 0.000 1.232 282 F CB -0.173 38.826 39.000 -0.001 0.000 0.987 282 F HN 0.035 nan 8.300 nan 0.000 0.475 283 K N -0.351 120.049 120.400 -0.001 0.000 2.026 283 K HA -0.186 4.135 4.320 0.001 0.000 0.208 283 K C 2.050 178.559 176.600 -0.152 0.000 1.048 283 K CA 1.973 58.229 56.287 -0.052 0.000 0.929 283 K CB -0.335 32.247 32.500 0.137 0.000 0.713 283 K HN 0.439 nan 8.250 nan 0.000 0.439 284 Q N 0.002 119.721 119.800 -0.134 0.000 2.398 284 Q HA 0.142 4.483 4.340 0.001 0.000 0.204 284 Q C 0.237 176.157 176.000 -0.133 0.000 0.932 284 Q CA -0.219 55.503 55.803 -0.136 0.000 0.916 284 Q CB 0.445 29.103 28.738 -0.133 0.000 1.024 284 Q HN 0.189 nan 8.270 nan 0.000 0.504 285 A N 0.983 123.725 122.820 -0.131 0.000 2.540 285 A HA 0.231 4.552 4.320 0.001 0.000 0.239 285 A C 1.062 178.600 177.584 -0.076 0.000 1.061 285 A CA 0.645 52.647 52.037 -0.058 0.000 0.758 285 A CB 0.228 19.245 19.000 0.030 0.000 0.991 285 A HN 0.394 nan 8.150 nan 0.000 0.502 286 A N 2.723 125.519 122.820 -0.040 0.000 2.235 286 A HA 0.271 4.591 4.320 0.001 0.000 0.208 286 A C 1.196 178.762 177.584 -0.030 0.000 1.172 286 A CA 0.596 52.608 52.037 -0.043 0.000 0.786 286 A CB -0.518 18.468 19.000 -0.023 0.000 0.804 286 A HN 0.796 nan 8.150 nan 0.000 0.479 287 S N 0.961 116.654 115.700 -0.011 0.000 2.544 287 S HA 0.021 4.491 4.470 0.001 0.000 0.290 287 S C 0.808 175.401 174.600 -0.012 0.000 1.276 287 S CA -0.048 58.165 58.200 0.021 0.000 1.075 287 S CB 0.713 63.953 63.200 0.068 0.000 0.849 287 S HN 0.592 nan 8.310 nan 0.000 0.494 288 E N 1.749 121.963 120.200 0.023 0.000 2.268 288 E HA -0.088 4.262 4.350 0.001 0.000 0.195 288 E C 0.017 176.617 176.600 0.001 0.000 0.995 288 E CA 0.804 57.209 56.400 0.008 0.000 0.836 288 E CB 0.212 29.945 29.700 0.055 0.000 0.763 288 E HN 0.656 nan 8.360 nan 0.000 0.491 289 E N 1.221 121.468 120.200 0.079 0.000 2.207 289 E HA 0.176 4.527 4.350 0.001 0.000 0.250 289 E C -0.795 175.856 176.600 0.084 0.000 0.890 289 E CA -0.343 56.130 56.400 0.122 0.000 0.749 289 E CB 1.121 31.131 29.700 0.517 0.000 1.193 289 E HN 0.028 nan 8.360 nan 0.000 0.423 290 K N 2.102 122.326 120.400 -0.292 0.000 2.523 290 K HA 0.478 4.798 4.320 0.001 0.000 0.257 290 K C -1.284 175.376 176.600 0.100 0.000 0.932 290 K CA -0.884 55.455 56.287 0.087 0.000 0.812 290 K CB 2.069 34.618 32.500 0.081 0.000 1.326 290 K HN 0.247 nan 8.250 nan 0.000 0.433 291 W N 2.623 124.247 121.300 0.539 0.000 2.864 291 W HA 0.534 5.195 4.660 0.001 0.000 0.343 291 W C -1.219 175.322 176.519 0.037 0.000 1.109 291 W CA -1.068 56.488 57.345 0.352 0.000 1.192 291 W CB 2.235 31.845 29.460 0.250 0.000 1.426 291 W HN 0.497 nan 8.180 nan 0.000 0.529 292 L N 2.929 124.101 121.223 -0.087 0.000 2.438 292 L HA 0.484 4.824 4.340 0.001 0.000 0.270 292 L C -1.930 174.816 176.870 -0.207 0.000 0.972 292 L CA -0.709 53.834 54.840 -0.495 0.000 0.831 292 L CB 1.635 42.860 42.059 -1.391 0.000 1.273 292 L HN 0.279 nan 8.230 nan 0.000 0.405 293 Y N 5.113 125.177 120.300 -0.393 0.000 2.341 293 Y HA 0.779 5.330 4.550 0.001 0.000 0.338 293 Y C -1.415 174.207 175.900 -0.463 0.000 0.965 293 Y CA -0.845 57.068 58.100 -0.313 0.000 1.108 293 Y CB 1.711 40.001 38.460 -0.283 0.000 1.180 293 Y HN 0.394 nan 8.280 nan 0.000 0.458 294 V N 7.135 126.505 119.914 -0.907 0.000 2.483 294 V HA 0.405 4.525 4.120 0.001 0.000 0.297 294 V C -0.955 174.551 176.094 -0.980 0.000 1.027 294 V CA -0.718 60.950 62.300 -1.053 0.000 0.855 294 V CB 1.272 32.471 31.823 -1.040 0.000 0.995 294 V HN 0.925 nan 8.190 nan 0.000 0.424 295 H N 1.275 119.807 119.070 -0.897 0.000 2.855 295 H HA 0.822 5.379 4.556 0.001 0.000 0.363 295 H C 0.486 175.546 175.328 -0.447 0.000 1.185 295 H CA -0.540 55.203 56.048 -0.508 0.000 1.174 295 H CB 2.148 31.814 29.762 -0.161 0.000 1.857 295 H HN 0.593 nan 8.280 nan 0.000 0.565 296 G N 0.612 109.399 108.800 -0.022 0.000 3.707 296 G HA2 0.183 4.144 3.960 0.001 0.000 0.286 296 G HA3 0.183 4.144 3.960 0.001 0.000 0.286 296 G C 0.019 174.900 174.900 -0.031 0.000 1.112 296 G CA -0.462 44.684 45.100 0.075 0.000 0.861 296 G HN 0.294 nan 8.290 nan 0.000 0.534 297 R N 0.225 120.798 120.500 0.122 0.000 2.936 297 R HA 0.538 4.879 4.340 0.001 0.000 0.218 297 R C -0.043 176.325 176.300 0.114 0.000 1.528 297 R CA -0.760 55.217 56.100 -0.205 0.000 1.005 297 R CB 0.012 30.089 30.300 -0.372 0.000 2.099 297 R HN 0.005 nan 8.270 nan 0.000 0.527 298 K N 1.171 121.668 120.400 0.162 0.000 2.118 298 K HA 0.093 4.414 4.320 0.001 0.000 0.264 298 K C 1.102 177.866 176.600 0.273 0.000 1.000 298 K CA -0.168 56.249 56.287 0.218 0.000 0.929 298 K CB 1.289 34.013 32.500 0.373 0.000 1.021 298 K HN 0.485 nan 8.250 nan 0.000 0.463 299 E N 2.335 122.689 120.200 0.256 0.000 1.999 299 E HA -0.154 4.197 4.350 0.001 0.000 0.194 299 E C 1.036 177.720 176.600 0.140 0.000 0.995 299 E CA 1.286 57.778 56.400 0.152 0.000 0.825 299 E CB 0.085 29.706 29.700 -0.132 0.000 0.777 299 E HN 0.633 nan 8.360 nan 0.000 0.459 300 W N 1.280 122.790 121.300 0.350 0.000 2.402 300 W HA -0.080 4.581 4.660 0.001 0.000 0.286 300 W C 2.151 178.841 176.519 0.285 0.000 1.221 300 W CA 0.891 58.404 57.345 0.281 0.000 1.257 300 W CB -0.537 29.087 29.460 0.273 0.000 1.120 300 W HN 0.445 nan 8.180 nan 0.000 0.551 301 E N 0.635 121.106 120.200 0.451 0.000 2.070 301 E HA -0.202 4.148 4.350 0.001 0.000 0.197 301 E C 2.093 178.798 176.600 0.176 0.000 1.004 301 E CA 2.148 58.726 56.400 0.297 0.000 0.805 301 E CB -0.166 29.699 29.700 0.275 0.000 0.744 301 E HN -0.059 nan 8.360 nan 0.000 0.451 302 S N -0.466 115.310 115.700 0.128 0.000 2.383 302 S HA -0.144 4.326 4.470 0.001 0.000 0.227 302 S C 1.536 176.102 174.600 -0.056 0.000 1.026 302 S CA 0.937 59.144 58.200 0.012 0.000 0.981 302 S CB -0.451 62.616 63.200 -0.221 0.000 0.818 302 S HN 0.435 nan 8.310 nan 0.000 0.472 303 Y N 1.080 121.199 120.300 -0.301 0.000 2.165 303 Y HA -0.194 4.356 4.550 0.001 0.000 0.286 303 Y C 1.328 176.712 175.900 -0.859 0.000 1.155 303 Y CA 1.415 58.902 58.100 -1.022 0.000 1.164 303 Y CB -0.307 37.522 38.460 -1.053 0.000 0.978 303 Y HN 0.290 nan 8.280 nan 0.000 0.513 304 Y N -0.179 119.905 120.300 -0.361 0.000 2.458 304 Y HA 0.483 5.034 4.550 0.001 0.000 0.256 304 Y C 1.173 176.851 175.900 -0.369 0.000 1.159 304 Y CA -0.330 57.517 58.100 -0.423 0.000 1.261 304 Y CB -0.653 37.697 38.460 -0.182 0.000 1.119 304 Y HN 0.086 nan 8.280 nan 0.000 0.524 305 A N 0.650 123.357 122.820 -0.187 0.000 2.511 305 A HA 0.116 4.436 4.320 0.001 0.000 0.242 305 A C 1.661 179.078 177.584 -0.279 0.000 1.069 305 A CA -0.301 51.633 52.037 -0.172 0.000 0.763 305 A CB 0.338 19.265 19.000 -0.123 0.000 1.001 305 A HN 0.420 nan 8.150 nan 0.000 0.498 306 R N 1.528 121.883 120.500 -0.242 0.000 2.103 306 R HA -0.227 4.114 4.340 0.001 0.000 0.242 306 R C 1.948 178.083 176.300 -0.275 0.000 1.142 306 R CA 2.641 58.570 56.100 -0.285 0.000 0.960 306 R CB -0.593 29.588 30.300 -0.198 0.000 0.858 306 R HN 0.953 nan 8.270 nan 0.000 0.439 307 E N -0.629 119.439 120.200 -0.219 0.000 2.118 307 E HA -0.222 4.128 4.350 0.001 0.000 0.195 307 E C 1.258 177.700 176.600 -0.263 0.000 0.992 307 E CA 1.634 57.908 56.400 -0.209 0.000 0.804 307 E CB -0.336 29.248 29.700 -0.194 0.000 0.741 307 E HN 0.328 nan 8.360 nan 0.000 0.458 308 N N 0.483 118.986 118.700 -0.328 0.000 2.333 308 N HA 0.008 4.748 4.740 0.001 0.000 0.178 308 N C 1.961 177.182 175.510 -0.482 0.000 1.018 308 N CA 0.736 53.556 53.050 -0.383 0.000 0.882 308 N CB -0.030 38.221 38.487 -0.393 0.000 0.984 308 N HN 0.265 nan 8.380 nan 0.000 0.434 309 L N 1.403 122.271 121.223 -0.593 0.000 2.046 309 L HA -0.117 4.224 4.340 0.001 0.000 0.208 309 L C 2.160 178.794 176.870 -0.393 0.000 1.077 309 L CA 1.066 55.446 54.840 -0.766 0.000 0.747 309 L CB -0.313 40.928 42.059 -1.363 0.000 0.896 309 L HN 0.054 nan 8.230 nan 0.000 0.432 310 E N -0.001 120.061 120.200 -0.229 0.000 2.118 310 E HA -0.247 4.104 4.350 0.001 0.000 0.195 310 E C 2.139 178.736 176.600 -0.005 0.000 0.992 310 E CA 0.983 57.360 56.400 -0.038 0.000 0.804 310 E CB -0.295 29.386 29.700 -0.032 0.000 0.741 310 E HN 0.418 nan 8.360 nan 0.000 0.458 311 R N 1.101 121.568 120.500 -0.055 0.000 2.066 311 R HA -0.147 4.194 4.340 0.001 0.000 0.232 311 R C 2.183 178.483 176.300 -0.000 0.000 1.131 311 R CA 1.480 57.606 56.100 0.044 0.000 0.955 311 R CB -0.075 30.210 30.300 -0.025 0.000 0.851 311 R HN 0.178 nan 8.270 nan 0.000 0.432 312 Q N 0.476 120.240 119.800 -0.060 0.000 2.061 312 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 312 Q C 2.193 178.250 176.000 0.095 0.000 0.984 312 Q CA 2.078 57.853 55.803 -0.046 0.000 0.846 312 Q CB -0.146 28.582 28.738 -0.017 0.000 0.902 312 Q HN 0.292 nan 8.270 nan 0.000 0.421 313 K N 0.155 120.635 120.400 0.134 0.000 2.063 313 K HA -0.172 4.148 4.320 0.001 0.000 0.208 313 K C 2.349 179.085 176.600 0.228 0.000 1.048 313 K CA 1.451 57.862 56.287 0.206 0.000 0.928 313 K CB -0.187 32.338 32.500 0.042 0.000 0.713 313 K HN 0.076 nan 8.250 nan 0.000 0.442 314 S N -0.208 115.569 115.700 0.128 0.000 2.383 314 S HA -0.150 4.320 4.470 0.001 0.000 0.227 314 S C 1.732 176.326 174.600 -0.010 0.000 1.026 314 S CA 0.938 59.228 58.200 0.150 0.000 0.981 314 S CB -0.404 62.953 63.200 0.261 0.000 0.818 314 S HN 0.444 nan 8.310 nan 0.000 0.472 315 F N 1.207 120.769 119.950 -0.647 0.000 2.146 315 F HA 0.067 4.595 4.527 0.001 0.000 0.298 315 F C 1.664 177.442 175.800 -0.037 0.000 1.096 315 F CA 1.312 58.650 58.000 -1.103 0.000 1.275 315 F CB -0.514 37.593 39.000 -1.490 0.000 1.008 315 F HN 0.240 nan 8.300 nan 0.000 0.480 316 F N 1.210 121.091 119.950 -0.116 0.000 2.206 316 F HA -0.101 4.427 4.527 0.001 0.000 0.298 316 F C 2.273 178.176 175.800 0.171 0.000 1.090 316 F CA 1.161 59.173 58.000 0.019 0.000 1.323 316 F CB -1.269 37.834 39.000 0.170 0.000 1.028 316 F HN 0.014 nan 8.300 nan 0.000 0.492 317 D N -0.612 120.024 120.400 0.394 0.000 2.149 317 D HA -0.225 4.416 4.640 0.001 0.000 0.198 317 D C 2.152 178.512 176.300 0.099 0.000 0.990 317 D CA 1.041 55.194 54.000 0.255 0.000 0.839 317 D CB -0.621 40.312 40.800 0.221 0.000 0.948 317 D HN 0.249 nan 8.370 nan 0.000 0.460 318 F N -0.571 119.315 119.950 -0.107 0.000 2.187 318 F HA -0.128 4.399 4.527 0.001 0.000 0.295 318 F C 1.706 177.247 175.800 -0.431 0.000 1.091 318 F CA 1.121 58.949 58.000 -0.287 0.000 1.308 318 F CB -0.015 38.747 39.000 -0.397 0.000 1.030 318 F HN -0.080 nan 8.300 nan 0.000 0.487 319 Y N -0.701 119.541 120.300 -0.096 0.000 2.503 319 Y HA 0.134 4.684 4.550 0.001 0.000 0.277 319 Y C 1.920 177.721 175.900 -0.164 0.000 1.102 319 Y CA 0.642 58.649 58.100 -0.155 0.000 1.261 319 Y CB -0.056 38.267 38.460 -0.229 0.000 1.096 319 Y HN -0.023 nan 8.280 nan 0.000 0.546 320 L N -0.836 120.379 121.223 -0.013 0.000 2.269 320 L HA 0.036 4.377 4.340 0.001 0.000 0.200 320 L C 1.726 178.556 176.870 -0.067 0.000 1.069 320 L CA 0.777 55.583 54.840 -0.057 0.000 0.804 320 L CB -0.227 41.777 42.059 -0.091 0.000 0.987 320 L HN -0.021 nan 8.230 nan 0.000 0.468 321 K N 0.417 120.779 120.400 -0.063 0.000 2.361 321 K HA 0.029 4.350 4.320 0.001 0.000 0.196 321 K C -0.229 176.285 176.600 -0.143 0.000 1.039 321 K CA 0.090 56.310 56.287 -0.112 0.000 1.001 321 K CB 0.308 32.742 32.500 -0.111 0.000 0.795 321 K HN 0.154 nan 8.250 nan 0.000 0.495 322 E N 1.343 121.415 120.200 -0.213 0.000 2.340 322 E HA -0.206 4.144 4.350 0.001 0.000 0.240 322 E C -0.646 175.767 176.600 -0.312 0.000 1.154 322 E CA 0.278 56.473 56.400 -0.341 0.000 0.717 322 E CB -1.197 28.357 29.700 -0.242 0.000 1.250 322 E HN 0.361 nan 8.360 nan 0.000 0.386 323 E N 0.784 120.826 120.200 -0.263 0.000 2.301 323 E HA 0.160 4.510 4.350 0.001 0.000 0.275 323 E C 0.133 176.688 176.600 -0.075 0.000 1.030 323 E CA -0.615 55.714 56.400 -0.119 0.000 0.852 323 E CB 0.641 30.331 29.700 -0.018 0.000 1.060 323 E HN 0.104 nan 8.360 nan 0.000 0.401 324 N N 3.525 122.220 118.700 -0.010 0.000 2.971 324 N HA -0.020 4.720 4.740 0.001 0.000 0.294 324 N C -1.076 174.518 175.510 0.139 0.000 1.210 324 N CA -0.117 52.975 53.050 0.070 0.000 1.157 324 N CB -0.528 37.982 38.487 0.038 0.000 1.450 324 N HN 0.459 nan 8.380 nan 0.000 0.527 325 N N -0.374 118.472 118.700 0.244 0.000 2.823 325 N HA 0.285 5.026 4.740 0.001 0.000 0.324 325 N C -0.290 175.345 175.510 0.209 0.000 1.336 325 N CA -0.366 52.813 53.050 0.215 0.000 0.861 325 N CB 0.387 39.004 38.487 0.217 0.000 1.157 325 N HN -0.099 nan 8.380 nan 0.000 0.585 326 D N -1.413 119.071 120.400 0.140 0.000 2.462 326 D HA 0.041 4.681 4.640 0.001 0.000 0.221 326 D C 0.689 176.962 176.300 -0.044 0.000 1.173 326 D CA -0.264 53.764 54.000 0.046 0.000 0.831 326 D CB -0.158 40.658 40.800 0.027 0.000 1.001 326 D HN 0.512 nan 8.370 nan 0.000 0.499 327 W N 2.436 123.606 121.300 -0.217 0.000 2.321 327 W HA -0.212 4.448 4.660 0.001 0.000 0.306 327 W C 1.121 177.378 176.519 -0.438 0.000 1.217 327 W CA 1.010 58.141 57.345 -0.357 0.000 1.257 327 W CB 0.144 29.329 29.460 -0.458 0.000 1.145 327 W HN -0.051 nan 8.180 nan 0.000 0.509 328 K N 0.012 120.099 120.400 -0.521 0.000 2.442 328 K HA -0.162 4.159 4.320 0.001 0.000 0.198 328 K C 1.226 177.723 176.600 -0.171 0.000 1.044 328 K CA 1.358 57.485 56.287 -0.268 0.000 0.948 328 K CB -0.297 32.155 32.500 -0.080 0.000 0.762 328 K HN 0.023 nan 8.250 nan 0.000 0.472 329 D N 0.804 121.066 120.400 -0.230 0.000 2.219 329 D HA -0.065 4.575 4.640 0.001 0.000 0.205 329 D C 0.171 176.331 176.300 -0.234 0.000 0.970 329 D CA 0.781 54.685 54.000 -0.159 0.000 0.851 329 D CB -0.250 40.478 40.800 -0.120 0.000 0.943 329 D HN 0.043 nan 8.370 nan 0.000 0.488 330 T N 3.285 117.533 114.554 -0.510 0.000 2.866 330 T HA 0.067 4.418 4.350 0.001 0.000 0.293 330 T C -2.348 172.232 174.700 -0.200 0.000 1.005 330 T CA -0.867 60.897 62.100 -0.561 0.000 1.162 330 T CB 0.786 68.811 68.868 -1.405 0.000 0.968 330 T HN -0.021 nan 8.240 nan 0.000 0.530 331 P HA 0.014 nan 4.420 nan 0.000 0.265 331 P C 1.017 178.366 177.300 0.083 0.000 1.187 331 P CA -0.102 63.012 63.100 0.025 0.000 0.766 331 P CB 0.392 32.129 31.700 0.063 0.000 0.820 332 H N 0.485 119.650 119.070 0.158 0.000 2.456 332 H HA -0.003 4.553 4.556 0.001 0.000 0.296 332 H C 0.389 175.794 175.328 0.127 0.000 1.079 332 H CA 1.161 57.248 56.048 0.066 0.000 1.322 332 H CB 0.225 29.958 29.762 -0.047 0.000 1.388 332 H HN 0.115 nan 8.280 nan 0.000 0.538 333 V N 1.869 121.919 119.914 0.227 0.000 2.483 333 V HA 0.283 4.403 4.120 0.001 0.000 0.297 333 V C -0.083 176.166 176.094 0.257 0.000 1.027 333 V CA -0.534 61.869 62.300 0.171 0.000 0.855 333 V CB 2.470 34.412 31.823 0.198 0.000 0.995 333 V HN 0.011 nan 8.190 nan 0.000 0.424 334 I N 6.233 126.934 120.570 0.218 0.000 2.378 334 I HA 0.591 4.762 4.170 0.001 0.000 0.291 334 I C -0.948 175.293 176.117 0.208 0.000 0.992 334 I CA -0.632 60.803 61.300 0.225 0.000 1.154 334 I CB 1.424 39.586 38.000 0.271 0.000 1.315 334 I HN 0.786 nan 8.210 nan 0.000 0.448 335 Y N 2.746 123.103 120.300 0.095 0.000 2.504 335 Y HA 0.548 5.098 4.550 0.001 0.000 0.344 335 Y C -0.660 175.169 175.900 -0.118 0.000 1.023 335 Y CA -1.340 56.737 58.100 -0.038 0.000 1.020 335 Y CB 0.890 39.393 38.460 0.071 0.000 1.282 335 Y HN 0.520 nan 8.280 nan 0.000 0.454 336 E N 2.410 122.418 120.200 -0.319 0.000 2.290 336 E HA 0.391 4.742 4.350 0.001 0.000 0.277 336 E C -1.219 175.392 176.600 0.019 0.000 1.035 336 E CA -0.609 55.405 56.400 -0.643 0.000 0.873 336 E CB 0.949 30.146 29.700 -0.839 0.000 1.029 336 E HN 0.657 nan 8.360 nan 0.000 0.419 337 V N 6.766 126.580 119.914 -0.166 0.000 2.322 337 V HA 0.211 4.332 4.120 0.001 0.000 0.258 337 V C 0.284 176.264 176.094 -0.189 0.000 1.074 337 V CA -0.375 61.862 62.300 -0.104 0.000 0.909 337 V CB 0.230 32.019 31.823 -0.056 0.000 1.090 337 V HN 0.657 nan 8.190 nan 0.000 0.486 338 R N 2.582 122.926 120.500 -0.260 0.000 2.438 338 R HA 0.192 4.533 4.340 0.001 0.000 0.287 338 R C 0.565 176.796 176.300 -0.114 0.000 1.077 338 R CA -0.330 55.640 56.100 -0.217 0.000 1.034 338 R CB 0.924 30.951 30.300 -0.455 0.000 0.993 338 R HN 0.645 nan 8.270 nan 0.000 0.459 339 D N 0.867 121.313 120.400 0.077 0.000 2.525 339 D HA 0.027 4.668 4.640 0.001 0.000 0.248 339 D C -0.111 176.338 176.300 0.248 0.000 1.000 339 D CA 1.181 55.242 54.000 0.102 0.000 0.923 339 D CB 0.874 41.693 40.800 0.033 0.000 1.101 339 D HN 0.390 nan 8.370 nan 0.000 0.493 340 Q N -0.948 119.011 119.800 0.265 0.000 2.685 340 Q HA 0.151 4.492 4.340 0.001 0.000 0.301 340 Q C -1.195 174.909 176.000 0.173 0.000 0.924 340 Q CA -0.924 54.899 55.803 0.033 0.000 0.755 340 Q CB 1.066 29.820 28.738 0.027 0.000 1.470 340 Q HN 0.146 nan 8.270 nan 0.000 0.434 341 F N 1.437 121.354 119.950 -0.055 0.000 2.569 341 F HA -0.072 4.455 4.527 0.001 0.000 0.395 341 F C 0.193 176.174 175.800 0.300 0.000 1.028 341 F CA 0.962 59.052 58.000 0.151 0.000 1.158 341 F CB -0.137 38.910 39.000 0.080 0.000 1.023 341 F HN 0.618 nan 8.300 nan 0.000 0.547 342 Y N 2.477 122.598 120.300 -0.298 0.000 4.079 342 Y HA -0.327 4.223 4.550 0.001 0.000 0.223 342 Y C 0.364 176.290 175.900 0.043 0.000 1.155 342 Y CA 1.360 59.367 58.100 -0.154 0.000 1.805 342 Y CB -1.047 37.301 38.460 -0.187 0.000 1.571 342 Y HN 0.601 nan 8.280 nan 0.000 0.654 343 K N 0.566 121.053 120.400 0.144 0.000 2.541 343 K HA 0.683 5.003 4.320 0.001 0.000 0.250 343 K C -0.017 176.624 176.600 0.068 0.000 0.950 343 K CA 0.041 56.399 56.287 0.120 0.000 0.805 343 K CB 1.629 34.206 32.500 0.127 0.000 1.166 343 K HN 0.223 nan 8.250 nan 0.000 0.430 344 G N 2.092 110.912 108.800 0.034 0.000 2.441 344 G HA2 0.163 4.124 3.960 0.001 0.000 0.294 344 G HA3 0.163 4.124 3.960 0.001 0.000 0.294 344 G C -1.909 172.963 174.900 -0.046 0.000 1.393 344 G CA -0.667 44.407 45.100 -0.042 0.000 0.796 344 G HN 0.510 nan 8.290 nan 0.000 0.494 345 E N -0.500 119.628 120.200 -0.120 0.000 2.171 345 E HA 0.606 4.956 4.350 0.001 0.000 0.271 345 E C -1.177 175.291 176.600 -0.220 0.000 0.916 345 E CA -0.696 55.663 56.400 -0.069 0.000 0.774 345 E CB 1.291 30.959 29.700 -0.053 0.000 1.128 345 E HN 0.228 nan 8.360 nan 0.000 0.403 346 F N 3.393 123.291 119.950 -0.087 0.000 2.411 346 F HA 0.362 4.889 4.527 0.001 0.000 0.350 346 F C 0.730 176.382 175.800 -0.246 0.000 1.114 346 F CA -0.212 57.695 58.000 -0.155 0.000 1.135 346 F CB 1.051 40.014 39.000 -0.063 0.000 1.120 346 F HN 0.198 nan 8.300 nan 0.000 0.495 347 K N 1.105 121.256 120.400 -0.414 0.000 2.331 347 K HA 0.754 5.075 4.320 0.001 0.000 0.238 347 K C -0.804 175.539 176.600 -0.428 0.000 1.058 347 K CA -1.048 54.966 56.287 -0.455 0.000 0.871 347 K CB 2.127 34.283 32.500 -0.572 0.000 1.292 347 K HN 0.604 nan 8.250 nan 0.000 0.470 348 S N -0.718 114.912 115.700 -0.117 0.000 2.599 348 S HA 0.888 5.359 4.470 0.001 0.000 0.287 348 S C -1.088 173.696 174.600 0.308 0.000 1.105 348 S CA -0.750 57.522 58.200 0.119 0.000 0.899 348 S CB 2.124 65.374 63.200 0.085 0.000 1.100 348 S HN 0.760 nan 8.310 nan 0.000 0.482 349 A N 0.735 123.757 122.820 0.336 0.000 2.529 349 A HA 0.831 5.151 4.320 0.001 0.000 0.296 349 A C 0.356 178.073 177.584 0.223 0.000 1.205 349 A CA -0.130 52.067 52.037 0.266 0.000 0.671 349 A CB 0.491 19.654 19.000 0.273 0.000 1.301 349 A HN 1.675 nan 8.150 nan 0.000 0.450 350 S N -1.151 114.659 115.700 0.184 0.000 2.523 350 S HA 0.624 5.094 4.470 0.001 0.000 0.217 350 S C 0.436 175.151 174.600 0.191 0.000 0.996 350 S CA 0.827 59.143 58.200 0.194 0.000 0.921 350 S CB 0.084 63.362 63.200 0.131 0.000 0.829 350 S HN 2.318 nan 8.310 nan 0.000 0.495 351 A N 0.650 123.593 122.820 0.205 0.000 2.586 351 A HA 0.697 5.017 4.320 0.001 0.000 0.291 351 A C -2.057 175.719 177.584 0.319 0.000 1.062 351 A CA -0.753 51.444 52.037 0.268 0.000 0.666 351 A CB 0.629 19.700 19.000 0.117 0.000 1.281 351 A HN 0.464 nan 8.150 nan 0.000 0.421 352 F N 1.281 121.412 119.950 0.303 0.000 2.540 352 F HA 0.722 5.249 4.527 0.001 0.000 0.317 352 F C -2.363 173.558 175.800 0.201 0.000 1.104 352 F CA -1.964 56.168 58.000 0.220 0.000 0.913 352 F CB 1.883 41.060 39.000 0.295 0.000 1.170 352 F HN 0.408 nan 8.300 nan 0.000 0.450 353 P HA 0.061 nan 4.420 nan 0.000 0.266 353 P C -0.717 176.385 177.300 -0.330 0.000 1.193 353 P CA 0.029 62.613 63.100 -0.861 0.000 0.770 353 P CB 0.457 31.877 31.700 -0.467 0.000 0.836 354 L N 4.686 125.730 121.223 -0.298 0.000 2.462 354 L HA 0.046 4.387 4.340 0.001 0.000 0.272 354 L C -1.158 175.627 176.870 -0.142 0.000 1.166 354 L CA -1.271 53.482 54.840 -0.144 0.000 0.880 354 L CB 0.155 42.111 42.059 -0.171 0.000 1.142 354 L HN 0.334 nan 8.230 nan 0.000 0.473 355 P HA -0.154 nan 4.420 nan 0.000 0.218 355 P C 0.932 178.168 177.300 -0.107 0.000 1.148 355 P CA 1.154 64.208 63.100 -0.077 0.000 0.822 355 P CB 0.016 31.697 31.700 -0.032 0.000 0.784 356 N N -0.758 117.884 118.700 -0.096 0.000 2.461 356 N HA 0.038 4.779 4.740 0.001 0.000 0.188 356 N C 0.375 175.782 175.510 -0.172 0.000 1.134 356 N CA 0.025 53.013 53.050 -0.103 0.000 0.878 356 N CB -0.325 38.132 38.487 -0.050 0.000 0.972 356 N HN -0.051 nan 8.380 nan 0.000 0.456 357 A N 1.077 123.736 122.820 -0.268 0.000 2.462 357 A HA 0.132 4.452 4.320 0.001 0.000 0.243 357 A C 0.120 177.390 177.584 -0.524 0.000 1.076 357 A CA -0.069 51.721 52.037 -0.411 0.000 0.773 357 A CB 0.249 18.909 19.000 -0.566 0.000 1.010 357 A HN 0.304 nan 8.150 nan 0.000 0.493 358 E N 1.974 121.921 120.200 -0.422 0.000 2.102 358 E HA 0.263 4.613 4.350 0.001 0.000 0.263 358 E C -1.606 174.819 176.600 -0.292 0.000 0.894 358 E CA -0.265 55.944 56.400 -0.319 0.000 0.746 358 E CB 1.033 30.643 29.700 -0.150 0.000 1.129 358 E HN 0.585 nan 8.360 nan 0.000 0.416 359 Y N 1.344 121.593 120.300 -0.086 0.000 2.393 359 Y HA 0.142 4.692 4.550 0.001 0.000 0.338 359 Y C 0.654 176.497 175.900 -0.095 0.000 1.029 359 Y CA -0.114 57.924 58.100 -0.103 0.000 1.239 359 Y CB 0.977 39.371 38.460 -0.109 0.000 1.170 359 Y HN 0.156 nan 8.280 nan 0.000 0.515 360 T N 6.648 121.221 114.554 0.033 0.000 2.847 360 T HA 0.339 4.689 4.350 0.001 0.000 0.291 360 T C -2.778 171.844 174.700 -0.130 0.000 0.998 360 T CA -1.794 60.287 62.100 -0.033 0.000 0.967 360 T CB 1.437 70.290 68.868 -0.026 0.000 0.954 360 T HN 0.188 nan 8.240 nan 0.000 0.441 361 P HA 0.326 nan 4.420 nan 0.000 0.271 361 P C -0.876 176.117 177.300 -0.513 0.000 1.216 361 P CA -0.343 62.505 63.100 -0.420 0.000 0.771 361 P CB 0.555 31.918 31.700 -0.562 0.000 0.864 362 L N 4.265 125.150 121.223 -0.563 0.000 2.372 362 L HA 0.377 4.718 4.340 0.001 0.000 0.273 362 L C -0.527 176.086 176.870 -0.428 0.000 0.989 362 L CA -0.876 53.667 54.840 -0.494 0.000 0.841 362 L CB 0.901 42.650 42.059 -0.518 0.000 1.225 362 L HN 0.356 nan 8.230 nan 0.000 0.414 363 Y N 3.264 123.489 120.300 -0.126 0.000 2.335 363 Y HA 0.232 4.782 4.550 0.001 0.000 0.331 363 Y C 0.218 176.067 175.900 -0.085 0.000 1.094 363 Y CA -0.459 57.593 58.100 -0.080 0.000 1.253 363 Y CB 0.799 39.239 38.460 -0.034 0.000 1.203 363 Y HN 0.341 nan 8.280 nan 0.000 0.508 364 L N 3.789 125.002 121.223 -0.017 0.000 2.397 364 L HA 0.165 4.506 4.340 0.001 0.000 0.271 364 L C 0.029 176.908 176.870 0.015 0.000 1.148 364 L CA 0.181 54.922 54.840 -0.165 0.000 0.825 364 L CB 0.155 41.882 42.059 -0.555 0.000 1.117 364 L HN 0.602 nan 8.230 nan 0.000 0.456 365 N N 1.133 119.926 118.700 0.156 0.000 2.504 365 N HA 0.451 5.192 4.740 0.001 0.000 0.280 365 N C 0.195 175.904 175.510 0.331 0.000 1.052 365 N CA -0.116 53.067 53.050 0.222 0.000 0.887 365 N CB 1.861 40.459 38.487 0.185 0.000 1.323 365 N HN 0.602 nan 8.380 nan 0.000 0.509 366 A N 2.791 125.779 122.820 0.280 0.000 2.119 366 A HA -0.072 4.248 4.320 0.001 0.000 0.217 366 A C 1.732 179.295 177.584 -0.035 0.000 1.153 366 A CA 1.192 53.290 52.037 0.101 0.000 0.692 366 A CB -0.425 18.651 19.000 0.127 0.000 0.799 366 A HN 0.849 nan 8.150 nan 0.000 0.458 367 E N 1.417 121.587 120.200 -0.050 0.000 2.031 367 E HA -0.262 4.088 4.350 0.001 0.000 0.193 367 E C 1.159 177.767 176.600 0.013 0.000 0.994 367 E CA 1.780 58.050 56.400 -0.218 0.000 0.800 367 E CB -0.242 29.291 29.700 -0.279 0.000 0.752 367 E HN 0.678 nan 8.360 nan 0.000 0.447 368 N N -1.234 117.529 118.700 0.105 0.000 2.177 368 N HA 0.017 4.758 4.740 0.001 0.000 0.218 368 N C -0.837 174.806 175.510 0.222 0.000 1.182 368 N CA 0.263 53.391 53.050 0.130 0.000 0.882 368 N CB 0.074 38.602 38.487 0.068 0.000 1.052 368 N HN 0.184 nan 8.380 nan 0.000 0.519 369 H N -0.569 118.467 119.070 -0.057 0.000 2.756 369 H HA -0.137 4.420 4.556 0.001 0.000 0.315 369 H C -0.482 174.864 175.328 0.029 0.000 1.210 369 H CA 0.868 56.795 56.048 -0.202 0.000 1.150 369 H CB -2.441 27.084 29.762 -0.395 0.000 1.463 369 H HN 0.636 nan 8.280 nan 0.000 0.427 370 T N -2.218 112.498 114.554 0.271 0.000 2.942 370 T HA 0.774 5.125 4.350 0.001 0.000 0.289 370 T C 0.241 175.093 174.700 0.253 0.000 1.044 370 T CA -1.258 60.974 62.100 0.220 0.000 1.023 370 T CB 2.575 71.525 68.868 0.137 0.000 1.123 370 T HN 0.214 nan 8.240 nan 0.000 0.512 371 L N 1.687 123.015 121.223 0.175 0.000 2.334 371 L HA 0.625 4.965 4.340 0.001 0.000 0.273 371 L C -0.200 176.729 176.870 0.099 0.000 1.013 371 L CA -1.019 53.868 54.840 0.079 0.000 0.816 371 L CB 1.523 43.575 42.059 -0.012 0.000 1.278 371 L HN 0.699 nan 8.230 nan 0.000 0.431 372 N N 0.347 119.062 118.700 0.025 0.000 2.369 372 N HA 0.213 4.953 4.740 0.001 0.000 0.287 372 N C 0.121 175.673 175.510 0.070 0.000 1.067 372 N CA -0.680 52.425 53.050 0.092 0.000 0.888 372 N CB 1.856 40.433 38.487 0.150 0.000 1.616 372 N HN 0.611 nan 8.380 nan 0.000 0.482 373 H N 0.458 119.618 119.070 0.150 0.000 2.489 373 H HA 0.017 4.573 4.556 0.001 0.000 0.293 373 H C 0.519 176.003 175.328 0.261 0.000 1.066 373 H CA 0.869 57.002 56.048 0.142 0.000 1.305 373 H CB 0.569 30.389 29.762 0.097 0.000 1.386 373 H HN 0.548 nan 8.280 nan 0.000 0.551 374 A N 0.868 123.864 122.820 0.293 0.000 2.355 374 A HA 0.394 4.715 4.320 0.001 0.000 0.324 374 A C 0.009 177.490 177.584 -0.173 0.000 1.117 374 A CA -0.715 51.366 52.037 0.073 0.000 0.785 374 A CB 1.612 20.638 19.000 0.043 0.000 1.254 374 A HN 0.090 nan 8.150 nan 0.000 0.453 375 K N 0.835 120.877 120.400 -0.597 0.000 2.494 375 K HA 0.132 4.452 4.320 0.001 0.000 0.273 375 K C -0.382 176.080 176.600 -0.230 0.000 0.970 375 K CA 0.446 56.338 56.287 -0.659 0.000 0.963 375 K CB 0.216 32.354 32.500 -0.604 0.000 0.913 375 K HN 0.478 nan 8.250 nan 0.000 0.502 376 I N 2.168 122.658 120.570 -0.133 0.000 2.359 376 I HA 0.021 4.191 4.170 0.001 0.000 0.294 376 I C 1.209 177.295 176.117 -0.052 0.000 0.987 376 I CA 0.192 61.473 61.300 -0.031 0.000 1.225 376 I CB 1.560 39.590 38.000 0.050 0.000 1.366 376 I HN 0.674 nan 8.210 nan 0.000 0.466 377 S N 3.670 119.346 115.700 -0.039 0.000 2.355 377 S HA -0.041 4.430 4.470 0.001 0.000 0.222 377 S C 0.867 175.430 174.600 -0.063 0.000 1.031 377 S CA 0.886 59.052 58.200 -0.056 0.000 0.993 377 S CB 0.125 63.302 63.200 -0.040 0.000 0.859 377 S HN 0.723 nan 8.310 nan 0.000 0.453 378 S N 1.322 116.994 115.700 -0.045 0.000 2.462 378 S HA 0.680 5.150 4.470 0.001 0.000 0.294 378 S C -0.121 174.400 174.600 -0.131 0.000 1.144 378 S CA -0.830 57.309 58.200 -0.102 0.000 1.088 378 S CB 1.540 64.671 63.200 -0.116 0.000 1.009 378 S HN 0.508 nan 8.310 nan 0.000 0.484 379 A N 3.577 126.322 122.820 -0.125 0.000 2.462 379 A HA 0.482 4.803 4.320 0.001 0.000 0.243 379 A C -0.006 177.457 177.584 -0.202 0.000 1.076 379 A CA 0.204 52.242 52.037 0.001 0.000 0.773 379 A CB 0.068 19.173 19.000 0.176 0.000 1.010 379 A HN 0.875 nan 8.150 nan 0.000 0.493 380 H N -0.470 118.684 119.070 0.139 0.000 2.990 380 H HA 0.621 5.178 4.556 0.001 0.000 0.343 380 H C -1.336 174.028 175.328 0.060 0.000 1.270 380 H CA -0.482 55.622 56.048 0.094 0.000 1.118 380 H CB 1.824 31.634 29.762 0.081 0.000 1.861 380 H HN 0.558 nan 8.280 nan 0.000 0.544 381 V N 0.523 120.541 119.914 0.174 0.000 2.735 381 V HA 0.783 4.904 4.120 0.001 0.000 0.310 381 V C -0.819 175.257 176.094 -0.031 0.000 1.061 381 V CA -0.359 61.902 62.300 -0.066 0.000 0.913 381 V CB 1.539 33.249 31.823 -0.188 0.000 1.005 381 V HN 0.949 nan 8.190 nan 0.000 0.428 382 A N 5.008 127.791 122.820 -0.063 0.000 2.354 382 A HA 0.920 5.240 4.320 0.001 0.000 0.321 382 A C -0.887 176.695 177.584 -0.004 0.000 1.125 382 A CA -0.667 51.370 52.037 0.001 0.000 0.799 382 A CB 2.020 21.026 19.000 0.009 0.000 1.293 382 A HN 0.789 nan 8.150 nan 0.000 0.452 383 Q N -0.473 119.363 119.800 0.060 0.000 2.359 383 Q HA 0.601 4.941 4.340 0.001 0.000 0.274 383 Q C -2.086 173.998 176.000 0.140 0.000 1.074 383 Q CA -0.608 55.206 55.803 0.019 0.000 0.810 383 Q CB 2.627 31.358 28.738 -0.013 0.000 1.342 383 Q HN 0.804 nan 8.270 nan 0.000 0.427 384 Y N -1.522 118.795 120.300 0.029 0.000 2.544 384 Y HA 0.426 4.976 4.550 0.001 0.000 0.342 384 Y C -1.070 174.818 175.900 -0.020 0.000 1.062 384 Y CA -1.404 56.701 58.100 0.009 0.000 1.023 384 Y CB 1.160 39.631 38.460 0.019 0.000 1.308 384 Y HN 0.411 nan 8.280 nan 0.000 0.457 385 D N 2.152 122.578 120.400 0.044 0.000 2.344 385 D HA 0.045 4.685 4.640 0.001 0.000 0.253 385 D C 1.185 177.483 176.300 -0.003 0.000 1.255 385 D CA 0.820 54.797 54.000 -0.038 0.000 0.894 385 D CB 1.306 42.103 40.800 -0.005 0.000 1.067 385 D HN 0.779 nan 8.370 nan 0.000 0.492 386 S N 3.071 118.641 115.700 -0.217 0.000 2.419 386 S HA -0.189 4.282 4.470 0.001 0.000 0.235 386 S C 1.168 175.715 174.600 -0.088 0.000 1.019 386 S CA 0.947 58.996 58.200 -0.252 0.000 0.982 386 S CB -0.139 62.541 63.200 -0.867 0.000 0.789 386 S HN 0.608 nan 8.310 nan 0.000 0.490 387 E N 0.751 120.909 120.200 -0.069 0.000 2.479 387 E HA 0.136 4.487 4.350 0.001 0.000 0.193 387 E C -0.330 176.259 176.600 -0.018 0.000 1.049 387 E CA 0.047 56.427 56.400 -0.033 0.000 0.870 387 E CB 0.129 29.815 29.700 -0.024 0.000 0.944 387 E HN 0.428 nan 8.360 nan 0.000 0.492 388 D N 1.151 121.546 120.400 -0.008 0.000 2.412 388 D HA 0.083 4.723 4.640 0.001 0.000 0.224 388 D C 0.328 176.621 176.300 -0.012 0.000 1.093 388 D CA -0.217 53.781 54.000 -0.004 0.000 0.850 388 D CB 0.863 41.667 40.800 0.007 0.000 1.046 388 D HN -0.163 nan 8.370 nan 0.000 0.507 389 K N 1.741 122.126 120.400 -0.026 0.000 2.519 389 K HA -0.093 4.228 4.320 0.001 0.000 0.196 389 K C 1.011 177.590 176.600 -0.036 0.000 1.041 389 K CA 0.761 57.022 56.287 -0.042 0.000 0.954 389 K CB 0.386 32.864 32.500 -0.038 0.000 0.774 389 K HN 0.383 nan 8.250 nan 0.000 0.480 390 Q N 0.097 119.884 119.800 -0.022 0.000 2.282 390 Q HA 0.114 4.454 4.340 0.001 0.000 0.206 390 Q C -0.103 175.885 176.000 -0.019 0.000 0.878 390 Q CA 0.388 56.178 55.803 -0.021 0.000 0.944 390 Q CB 0.889 29.617 28.738 -0.015 0.000 1.100 390 Q HN 0.347 nan 8.270 nan 0.000 0.509 391 Q N 1.448 121.243 119.800 -0.010 0.000 2.316 391 Q HA 0.324 4.664 4.340 0.001 0.000 0.264 391 Q C -1.113 174.868 176.000 -0.031 0.000 0.987 391 Q CA -0.363 55.447 55.803 0.011 0.000 0.852 391 Q CB 1.545 30.323 28.738 0.067 0.000 1.287 391 Q HN 0.119 nan 8.270 nan 0.000 0.448 392 D N -0.615 119.741 120.400 -0.074 0.000 2.643 392 D HA 0.505 5.146 4.640 0.001 0.000 0.283 392 D C -1.019 175.202 176.300 -0.132 0.000 1.242 392 D CA -0.731 53.124 54.000 -0.241 0.000 0.863 392 D CB 0.830 41.504 40.800 -0.212 0.000 1.382 392 D HN 0.257 nan 8.370 nan 0.000 0.444 393 V N -1.976 117.830 119.914 -0.180 0.000 2.769 393 V HA 0.959 5.079 4.120 0.001 0.000 0.312 393 V C -0.345 175.703 176.094 -0.076 0.000 1.058 393 V CA -0.364 61.903 62.300 -0.054 0.000 0.952 393 V CB 1.193 33.027 31.823 0.020 0.000 1.019 393 V HN 1.079 nan 8.190 nan 0.000 0.445 394 S N 2.483 118.088 115.700 -0.157 0.000 2.541 394 S HA 0.844 5.315 4.470 0.001 0.000 0.271 394 S C -1.324 173.089 174.600 -0.312 0.000 1.133 394 S CA -0.614 57.528 58.200 -0.097 0.000 0.876 394 S CB 1.569 64.757 63.200 -0.021 0.000 1.105 394 S HN 0.710 nan 8.310 nan 0.000 0.470 395 F N 1.039 121.014 119.950 0.042 0.000 2.520 395 F HA 0.667 5.194 4.527 0.001 0.000 0.322 395 F C 0.424 176.245 175.800 0.034 0.000 1.103 395 F CA -0.694 57.329 58.000 0.039 0.000 0.926 395 F CB 2.298 41.292 39.000 -0.011 0.000 1.154 395 F HN 0.494 nan 8.300 nan 0.000 0.453 396 K N 1.730 122.239 120.400 0.182 0.000 2.385 396 K HA 0.557 4.878 4.320 0.001 0.000 0.248 396 K C -2.000 174.660 176.600 0.100 0.000 0.955 396 K CA -1.155 55.197 56.287 0.109 0.000 0.816 396 K CB 2.820 35.354 32.500 0.057 0.000 1.250 396 K HN 0.631 nan 8.250 nan 0.000 0.434 397 Y N 0.331 120.557 120.300 -0.124 0.000 2.401 397 Y HA 0.266 4.817 4.550 0.001 0.000 0.330 397 Y C -1.388 174.304 175.900 -0.347 0.000 1.071 397 Y CA -0.447 57.488 58.100 -0.276 0.000 1.049 397 Y CB 1.965 40.153 38.460 -0.454 0.000 1.239 397 Y HN 0.481 nan 8.280 nan 0.000 0.437 398 T N 7.216 121.292 114.554 -0.797 0.000 2.758 398 T HA 0.408 4.758 4.350 0.001 0.000 0.285 398 T C -0.760 173.562 174.700 -0.630 0.000 0.981 398 T CA -0.285 61.528 62.100 -0.478 0.000 0.965 398 T CB -0.002 68.728 68.868 -0.230 0.000 0.927 398 T HN 0.372 nan 8.240 nan 0.000 0.448 399 F N 2.092 121.976 119.950 -0.111 0.000 2.456 399 F HA 0.194 4.721 4.527 0.000 0.000 0.358 399 F C 1.539 177.346 175.800 0.011 0.000 1.095 399 F CA -0.466 57.555 58.000 0.035 0.000 1.216 399 F CB 0.640 39.743 39.000 0.172 0.000 1.125 399 F HN 0.541 nan 8.300 nan 0.000 0.549 400 D N 1.269 121.779 120.400 0.184 0.000 2.234 400 D HA -0.041 4.600 4.640 0.001 0.000 0.205 400 D C 0.448 176.834 176.300 0.143 0.000 0.962 400 D CA 1.097 55.167 54.000 0.117 0.000 0.855 400 D CB 0.177 41.032 40.800 0.092 0.000 0.951 400 D HN 0.568 nan 8.370 nan 0.000 0.500 401 K N -0.236 120.286 120.400 0.204 0.000 2.509 401 K HA 0.351 4.672 4.320 0.001 0.000 0.266 401 K C -1.272 175.420 176.600 0.152 0.000 0.987 401 K CA -0.873 55.504 56.287 0.150 0.000 0.868 401 K CB 1.389 33.956 32.500 0.112 0.000 1.421 401 K HN -0.420 nan 8.250 nan 0.000 0.444 402 D N 1.772 122.223 120.400 0.085 0.000 2.581 402 D HA 0.083 4.723 4.640 0.001 0.000 0.238 402 D C -0.772 175.533 176.300 0.009 0.000 1.145 402 D CA 0.927 54.947 54.000 0.035 0.000 0.866 402 D CB 0.471 41.286 40.800 0.025 0.000 1.151 402 D HN 0.468 nan 8.370 nan 0.000 0.500 403 T N 2.531 117.034 114.554 -0.085 0.000 2.916 403 T HA 0.378 4.728 4.350 0.001 0.000 0.298 403 T C -0.250 174.386 174.700 -0.107 0.000 1.031 403 T CA -0.909 61.124 62.100 -0.111 0.000 0.993 403 T CB 1.651 70.409 68.868 -0.184 0.000 1.045 403 T HN 0.159 nan 8.240 nan 0.000 0.454 404 E N 2.071 122.242 120.200 -0.048 0.000 2.145 404 E HA 0.444 4.795 4.350 0.001 0.000 0.270 404 E C -1.165 175.412 176.600 -0.037 0.000 0.906 404 E CA -0.890 55.493 56.400 -0.028 0.000 0.761 404 E CB 1.450 31.151 29.700 0.001 0.000 1.116 404 E HN 0.188 nan 8.360 nan 0.000 0.408 405 L N 3.503 124.709 121.223 -0.030 0.000 2.280 405 L HA 0.354 4.695 4.340 0.001 0.000 0.287 405 L C -0.811 175.973 176.870 -0.143 0.000 1.023 405 L CA -0.685 54.116 54.840 -0.064 0.000 0.819 405 L CB 1.641 43.694 42.059 -0.011 0.000 1.212 405 L HN 0.311 nan 8.230 nan 0.000 0.420 406 V N 2.960 122.782 119.914 -0.153 0.000 2.509 406 V HA 0.953 5.074 4.120 0.001 0.000 0.289 406 V C 0.263 176.283 176.094 -0.123 0.000 1.026 406 V CA -0.096 62.088 62.300 -0.193 0.000 0.872 406 V CB 0.971 32.689 31.823 -0.175 0.000 1.017 406 V HN 0.947 nan 8.190 nan 0.000 0.436 407 G N 4.216 112.959 108.800 -0.095 0.000 2.325 407 G HA2 -0.016 3.944 3.960 0.001 0.000 0.285 407 G HA3 -0.016 3.944 3.960 0.001 0.000 0.285 407 G C -1.037 173.822 174.900 -0.068 0.000 1.303 407 G CA -0.793 44.300 45.100 -0.012 0.000 0.970 407 G HN 0.485 nan 8.290 nan 0.000 0.490 411 L N 3.066 124.215 121.223 -0.123 0.000 2.259 411 L HA 0.512 4.853 4.340 0.001 0.000 0.288 411 L C 0.128 176.933 176.870 -0.108 0.000 1.051 411 L CA -0.223 54.544 54.840 -0.122 0.000 0.824 411 L CB 0.351 42.342 42.059 -0.114 0.000 1.206 411 L HN 0.526 nan 8.230 nan 0.000 0.429 412 K N 5.923 126.257 120.400 -0.110 0.000 2.211 412 K HA 0.691 5.012 4.320 0.001 0.000 0.275 412 K C -1.645 174.913 176.600 -0.069 0.000 1.024 412 K CA -0.432 55.794 56.287 -0.101 0.000 0.887 412 K CB 0.676 33.127 32.500 -0.081 0.000 1.084 412 K HN 0.682 nan 8.250 nan 0.000 0.463 413 L N 4.083 125.249 121.223 -0.096 0.000 2.388 413 L HA 0.528 4.869 4.340 0.001 0.000 0.264 413 L C -1.283 175.559 176.870 -0.048 0.000 0.998 413 L CA -1.025 53.813 54.840 -0.003 0.000 0.817 413 L CB 1.683 43.742 42.059 0.001 0.000 1.338 413 L HN 0.674 nan 8.230 nan 0.000 0.414 414 W N 2.898 124.256 121.300 0.096 0.000 2.429 414 W HA 0.652 5.312 4.660 0.001 0.000 0.314 414 W C -0.339 176.306 176.519 0.210 0.000 1.062 414 W CA -0.512 56.926 57.345 0.155 0.000 1.211 414 W CB 1.875 31.482 29.460 0.245 0.000 1.305 414 W HN 0.235 nan 8.180 nan 0.000 0.476 415 V N 0.982 121.113 119.914 0.362 0.000 3.114 415 V HA 0.938 5.058 4.120 0.001 0.000 0.308 415 V C -0.497 175.750 176.094 0.256 0.000 1.168 415 V CA -1.073 61.380 62.300 0.255 0.000 1.015 415 V CB 1.642 33.502 31.823 0.063 0.000 1.050 415 V HN 0.571 nan 8.190 nan 0.000 0.433 416 S N 0.641 116.463 115.700 0.203 0.000 2.565 416 S HA 0.810 5.281 4.470 0.001 0.000 0.269 416 S C -0.824 173.799 174.600 0.039 0.000 1.153 416 S CA -0.078 58.212 58.200 0.149 0.000 0.835 416 S CB 1.830 65.201 63.200 0.286 0.000 1.122 416 S HN 1.885 nan 8.310 nan 0.000 0.462 417 T N 0.239 114.815 114.554 0.036 0.000 2.912 417 T HA 0.519 4.870 4.350 0.001 0.000 0.299 417 T C 0.260 174.997 174.700 0.061 0.000 1.052 417 T CA -0.596 61.535 62.100 0.051 0.000 0.996 417 T CB 1.829 70.734 68.868 0.063 0.000 1.070 417 T HN 0.857 nan 8.240 nan 0.000 0.465 418 K N 1.822 122.257 120.400 0.058 0.000 2.202 418 K HA 0.102 4.423 4.320 0.001 0.000 0.201 418 K C 0.315 176.942 176.600 0.046 0.000 1.051 418 K CA 0.767 57.083 56.287 0.049 0.000 0.977 418 K CB 0.282 32.806 32.500 0.040 0.000 0.792 418 K HN 0.475 nan 8.250 nan 0.000 0.469 419 D N 0.304 120.734 120.400 0.050 0.000 2.368 419 D HA 0.079 4.720 4.640 0.001 0.000 0.218 419 D C -0.211 176.123 176.300 0.055 0.000 1.112 419 D CA 0.153 54.181 54.000 0.046 0.000 0.834 419 D CB 1.099 41.921 40.800 0.037 0.000 0.953 419 D HN 0.008 nan 8.370 nan 0.000 0.505 420 S N 0.135 115.874 115.700 0.066 0.000 2.671 420 S HA 0.311 4.781 4.470 0.001 0.000 0.277 420 S C -1.116 173.522 174.600 0.063 0.000 1.165 420 S CA -0.685 57.557 58.200 0.071 0.000 0.822 420 S CB 1.457 64.715 63.200 0.097 0.000 1.150 420 S HN -0.010 nan 8.310 nan 0.000 0.479 421 D N 0.580 121.018 120.400 0.062 0.000 2.440 421 D HA 0.358 4.998 4.640 0.001 0.000 0.216 421 D C -0.078 176.256 176.300 0.057 0.000 1.150 421 D CA 0.048 54.081 54.000 0.054 0.000 0.832 421 D CB 0.212 41.042 40.800 0.050 0.000 0.992 421 D HN 0.312 nan 8.370 nan 0.000 0.502 425 L N 1.843 123.136 121.223 0.117 0.000 2.289 425 L HA 0.539 4.879 4.340 0.001 0.000 0.285 425 L C -0.378 176.455 176.870 -0.062 0.000 1.049 425 L CA -0.644 54.293 54.840 0.161 0.000 0.804 425 L CB 0.744 42.840 42.059 0.062 0.000 1.195 425 L HN 0.225 nan 8.230 nan 0.000 0.428 426 F N 2.325 122.281 119.950 0.009 0.000 2.375 426 F HA 0.580 5.107 4.527 0.001 0.000 0.361 426 F C 0.514 176.191 175.800 -0.205 0.000 1.117 426 F CA -0.594 57.321 58.000 -0.141 0.000 1.037 426 F CB 1.554 40.505 39.000 -0.083 0.000 1.192 426 F HN 0.460 nan 8.300 nan 0.000 0.452 427 A N 2.506 125.196 122.820 -0.216 0.000 2.312 427 A HA 0.931 5.251 4.320 0.001 0.000 0.328 427 A C -0.071 177.363 177.584 -0.250 0.000 1.158 427 A CA -0.427 51.498 52.037 -0.187 0.000 0.821 427 A CB 1.101 19.992 19.000 -0.183 0.000 1.170 427 A HN 0.873 nan 8.150 nan 0.000 0.490 428 G N 0.173 108.886 108.800 -0.144 0.000 2.704 428 G HA2 0.561 4.522 3.960 0.001 0.000 0.293 428 G HA3 0.561 4.522 3.960 0.001 0.000 0.293 428 G C -1.342 173.528 174.900 -0.051 0.000 1.421 428 G CA -0.460 44.568 45.100 -0.121 0.000 0.870 428 G HN 0.485 nan 8.290 nan 0.000 0.492 429 I N 0.655 121.209 120.570 -0.026 0.000 2.474 429 I HA 0.483 4.654 4.170 0.001 0.000 0.294 429 I C -0.145 176.028 176.117 0.093 0.000 1.005 429 I CA -0.764 60.557 61.300 0.036 0.000 1.113 429 I CB 1.827 39.842 38.000 0.026 0.000 1.289 429 I HN 0.362 nan 8.210 nan 0.000 0.436 430 K N 4.269 124.756 120.400 0.145 0.000 2.259 430 K HA 0.450 4.771 4.320 0.001 0.000 0.249 430 K C -0.516 176.261 176.600 0.295 0.000 0.942 430 K CA -0.917 55.480 56.287 0.183 0.000 0.816 430 K CB 2.979 35.555 32.500 0.127 0.000 1.155 430 K HN 0.416 nan 8.250 nan 0.000 0.428 431 K N 3.185 123.757 120.400 0.287 0.000 2.213 431 K HA 0.281 4.601 4.320 0.001 0.000 0.270 431 K C -1.215 175.494 176.600 0.182 0.000 1.002 431 K CA -0.668 55.801 56.287 0.304 0.000 0.868 431 K CB 0.657 33.229 32.500 0.119 0.000 1.093 431 K HN 0.255 nan 8.250 nan 0.000 0.454 432 L N 4.677 126.025 121.223 0.208 0.000 2.296 432 L HA 0.225 4.566 4.340 0.001 0.000 0.286 432 L C -0.024 176.917 176.870 0.120 0.000 1.023 432 L CA -0.435 54.481 54.840 0.127 0.000 0.812 432 L CB 1.214 43.343 42.059 0.116 0.000 1.223 432 L HN 0.796 nan 8.230 nan 0.000 0.421 433 D N 1.949 122.386 120.400 0.062 0.000 2.393 433 D HA 0.054 4.694 4.640 0.001 0.000 0.246 433 D C 0.906 177.242 176.300 0.060 0.000 1.275 433 D CA -0.239 53.792 54.000 0.052 0.000 0.979 433 D CB 0.596 41.405 40.800 0.015 0.000 1.101 433 D HN 0.358 nan 8.370 nan 0.000 0.505 434 R N -1.262 119.270 120.500 0.053 0.000 2.249 434 R HA -0.049 4.291 4.340 0.001 0.000 0.230 434 R C 1.337 177.656 176.300 0.032 0.000 1.121 434 R CA 1.107 57.236 56.100 0.048 0.000 0.997 434 R CB -0.118 30.206 30.300 0.041 0.000 0.867 434 R HN 0.381 nan 8.270 nan 0.000 0.465 435 R N -1.358 119.156 120.500 0.024 0.000 2.509 435 R HA 0.189 4.529 4.340 0.001 0.000 0.300 435 R C 0.791 177.098 176.300 0.012 0.000 0.985 435 R CA 0.451 56.560 56.100 0.014 0.000 1.092 435 R CB 1.231 31.535 30.300 0.008 0.000 1.237 435 R HN 0.283 nan 8.270 nan 0.000 0.546 436 G N 0.929 109.742 108.800 0.022 0.000 2.205 436 G HA2 -0.287 3.673 3.960 0.001 0.000 0.261 436 G HA3 -0.287 3.673 3.960 0.001 0.000 0.261 436 G C -0.267 174.644 174.900 0.018 0.000 0.980 436 G CA -0.093 45.020 45.100 0.022 0.000 0.632 436 G HN 0.299 nan 8.290 nan 0.000 0.533 437 N N 1.192 119.899 118.700 0.010 0.000 2.520 437 N HA 0.402 5.142 4.740 0.001 0.000 0.273 437 N C 0.242 175.754 175.510 0.003 0.000 1.155 437 N CA -0.119 52.931 53.050 0.001 0.000 0.967 437 N CB 1.024 39.505 38.487 -0.011 0.000 1.092 437 N HN 0.619 nan 8.380 nan 0.000 0.457 438 E N 0.990 121.190 120.200 0.000 0.000 2.414 438 E HA 0.045 4.395 4.350 0.001 0.000 0.263 438 E C -0.832 175.740 176.600 -0.048 0.000 1.000 438 E CA -0.212 56.189 56.400 0.001 0.000 0.914 438 E CB 0.566 30.272 29.700 0.009 0.000 0.948 438 E HN 0.195 nan 8.360 nan 0.000 0.444 439 V N 5.589 125.455 119.914 -0.080 0.000 2.348 439 V HA 0.125 4.246 4.120 0.001 0.000 0.270 439 V C -0.230 175.628 176.094 -0.394 0.000 1.037 439 V CA -0.482 61.676 62.300 -0.237 0.000 0.872 439 V CB 0.695 32.349 31.823 -0.281 0.000 1.002 439 V HN 0.676 nan 8.190 nan 0.000 0.464 440 N N 4.269 122.769 118.700 -0.333 0.000 2.530 440 N HA 0.644 5.384 4.740 0.001 0.000 0.277 440 N C -0.952 174.329 175.510 -0.381 0.000 1.168 440 N CA -0.216 52.702 53.050 -0.220 0.000 0.979 440 N CB 0.966 39.422 38.487 -0.052 0.000 1.141 440 N HN 0.465 nan 8.380 nan 0.000 0.459 441 F N 0.144 120.208 119.950 0.190 0.000 2.631 441 F HA 0.513 5.041 4.527 0.001 0.000 0.328 441 F C -2.106 173.862 175.800 0.279 0.000 1.067 441 F CA -2.362 55.770 58.000 0.220 0.000 0.969 441 F CB 1.014 40.063 39.000 0.081 0.000 1.332 441 F HN 0.253 nan 8.300 nan 0.000 0.490 442 P HA 0.112 nan 4.420 nan 0.000 0.265 442 P C -1.067 176.395 177.300 0.269 0.000 1.193 442 P CA 0.503 63.801 63.100 0.330 0.000 0.765 442 P CB 0.590 32.395 31.700 0.176 0.000 0.823 443 D N 1.107 121.656 120.400 0.248 0.000 2.677 443 D HA 0.341 4.982 4.640 0.001 0.000 0.298 443 D C -1.498 174.958 176.300 0.259 0.000 1.250 443 D CA -0.578 53.573 54.000 0.252 0.000 0.888 443 D CB 1.104 42.056 40.800 0.255 0.000 1.397 443 D HN 0.044 nan 8.370 nan 0.000 0.461 444 F N 1.683 121.711 119.950 0.129 0.000 2.384 444 F HA 0.394 4.922 4.527 0.001 0.000 0.338 444 F C 0.219 176.025 175.800 0.009 0.000 1.103 444 F CA -0.554 57.498 58.000 0.087 0.000 1.157 444 F CB 0.668 39.737 39.000 0.114 0.000 1.167 444 F HN 0.033 nan 8.300 nan 0.000 0.529 445 N N 4.048 122.272 118.700 -0.794 0.000 2.485 445 N HA 0.163 4.903 4.740 0.001 0.000 0.243 445 N C -0.939 174.717 175.510 0.243 0.000 0.987 445 N CA -0.140 52.500 53.050 -0.683 0.000 0.940 445 N CB -0.507 37.372 38.487 -1.013 0.000 1.122 445 N HN 0.687 nan 8.380 nan 0.000 0.509 446 H N 0.591 119.788 119.070 0.213 0.000 2.604 446 H HA -0.200 4.356 4.556 0.001 0.000 0.321 446 H C 0.073 175.571 175.328 0.284 0.000 1.132 446 H CA 1.102 57.315 56.048 0.276 0.000 1.129 446 H CB -1.493 28.398 29.762 0.215 0.000 1.526 446 H HN 0.545 nan 8.280 nan 0.000 0.415 447 I N -2.817 117.908 120.570 0.259 0.000 2.498 447 I HA 0.334 4.505 4.170 0.001 0.000 0.301 447 I C 0.886 177.166 176.117 0.271 0.000 0.984 447 I CA -0.605 60.829 61.300 0.224 0.000 1.204 447 I CB 1.885 39.967 38.000 0.136 0.000 1.362 447 I HN 0.136 nan 8.210 nan 0.000 0.471 448 E N 2.521 122.865 120.200 0.239 0.000 2.498 448 E HA 0.017 4.367 4.350 0.001 0.000 0.203 448 E C -0.194 176.497 176.600 0.152 0.000 1.013 448 E CA 0.038 56.607 56.400 0.281 0.000 0.927 448 E CB 0.126 29.897 29.700 0.118 0.000 1.012 448 E HN 0.766 nan 8.360 nan 0.000 0.482 449 N N 0.630 119.402 118.700 0.120 0.000 2.538 449 N HA 0.076 4.817 4.740 0.001 0.000 0.291 449 N C 0.206 175.785 175.510 0.115 0.000 1.323 449 N CA -0.237 52.858 53.050 0.075 0.000 0.934 449 N CB 0.422 38.930 38.487 0.036 0.000 1.255 449 N HN -0.058 nan 8.380 nan 0.000 0.509 450 G N 0.244 109.152 108.800 0.181 0.000 2.563 450 G HA2 0.393 4.353 3.960 0.001 0.000 0.283 450 G HA3 0.393 4.353 3.960 0.001 0.000 0.283 450 G C -0.000 175.028 174.900 0.214 0.000 1.309 450 G CA -0.432 44.791 45.100 0.206 0.000 1.022 450 G HN 0.496 nan 8.290 nan 0.000 0.501 451 Q N -2.213 117.722 119.800 0.224 0.000 3.106 451 Q HA 0.542 4.882 4.340 0.001 0.000 0.247 451 Q C 0.706 176.865 176.000 0.265 0.000 1.033 451 Q CA -0.766 55.178 55.803 0.235 0.000 0.888 451 Q CB 1.058 29.880 28.738 0.139 0.000 1.586 451 Q HN 0.176 nan 8.270 nan 0.000 0.482 452 V N -0.583 119.433 119.914 0.170 0.000 2.331 452 V HA 0.199 4.319 4.120 0.001 0.000 0.242 452 V C 0.647 176.692 176.094 -0.082 0.000 1.034 452 V CA 1.565 63.852 62.300 -0.021 0.000 1.027 452 V CB -0.004 31.839 31.823 0.033 0.000 0.667 452 V HN 0.764 nan 8.190 nan 0.000 0.457 453 A N -1.299 121.496 122.820 -0.041 0.000 2.587 453 A HA 0.753 5.074 4.320 0.001 0.000 0.293 453 A C -0.673 176.841 177.584 -0.118 0.000 1.087 453 A CA -0.309 51.677 52.037 -0.085 0.000 0.692 453 A CB 1.888 20.819 19.000 -0.116 0.000 1.291 453 A HN 0.150 nan 8.150 nan 0.000 0.407 454 T N -0.268 114.166 114.554 -0.200 0.000 2.916 454 T HA 0.809 5.160 4.350 0.001 0.000 0.305 454 T C -0.134 174.195 174.700 -0.619 0.000 1.119 454 T CA -0.021 61.823 62.100 -0.427 0.000 1.008 454 T CB 2.056 70.656 68.868 -0.447 0.000 1.129 454 T HN 1.759 nan 8.240 nan 0.000 0.480 455 G N 0.560 108.820 108.800 -0.900 0.000 2.660 455 G HA2 0.694 4.655 3.960 0.001 0.000 0.290 455 G HA3 0.694 4.655 3.960 0.001 0.000 0.290 455 G C -2.216 172.167 174.900 -0.862 0.000 1.432 455 G CA -0.760 43.915 45.100 -0.708 0.000 0.807 455 G HN 0.560 nan 8.290 nan 0.000 0.485 456 W N -0.723 120.411 121.300 -0.277 0.000 3.118 456 W HA 0.706 5.366 4.660 0.001 0.000 0.328 456 W C -1.624 174.711 176.519 -0.307 0.000 1.239 456 W CA -0.726 56.377 57.345 -0.403 0.000 1.176 456 W CB 2.415 31.537 29.460 -0.563 0.000 1.433 456 W HN 0.647 nan 8.180 nan 0.000 0.562 457 L N 1.729 122.896 121.223 -0.093 0.000 2.705 457 L HA 0.357 4.697 4.340 0.001 0.000 0.260 457 L C -0.809 175.974 176.870 -0.146 0.000 0.921 457 L CA -0.428 54.325 54.840 -0.144 0.000 0.948 457 L CB 1.871 43.824 42.059 -0.177 0.000 1.427 457 L HN 0.479 nan 8.230 nan 0.000 0.432 458 R N 3.753 124.165 120.500 -0.147 0.000 2.216 458 R HA 0.469 4.810 4.340 0.001 0.000 0.332 458 R C 0.160 176.441 176.300 -0.031 0.000 1.056 458 R CA -0.315 55.726 56.100 -0.098 0.000 0.901 458 R CB 1.223 31.401 30.300 -0.204 0.000 1.039 458 R HN 0.655 nan 8.270 nan 0.000 0.456 459 V N 3.202 123.104 119.914 -0.020 0.000 2.720 459 V HA -0.223 3.897 4.120 0.001 0.000 0.256 459 V C 1.998 178.101 176.094 0.015 0.000 1.082 459 V CA 2.169 64.451 62.300 -0.030 0.000 1.101 459 V CB -0.242 31.554 31.823 -0.045 0.000 0.693 459 V HN 0.956 nan 8.190 nan 0.000 0.479 460 S N -1.132 114.620 115.700 0.087 0.000 2.474 460 S HA -0.165 4.305 4.470 0.001 0.000 0.235 460 S C 1.522 176.177 174.600 0.092 0.000 0.997 460 S CA 0.961 59.225 58.200 0.107 0.000 0.949 460 S CB -0.553 62.735 63.200 0.147 0.000 0.766 460 S HN 0.775 nan 8.310 nan 0.000 0.517 461 H N 1.262 120.303 119.070 -0.049 0.000 2.517 461 H HA 0.222 4.779 4.556 0.001 0.000 0.282 461 H C 2.006 177.187 175.328 -0.246 0.000 1.023 461 H CA 0.190 56.190 56.048 -0.081 0.000 1.169 461 H CB 0.216 30.003 29.762 0.042 0.000 1.454 461 H HN 0.621 nan 8.280 nan 0.000 0.556 462 R N 1.271 121.711 120.500 -0.100 0.000 2.285 462 R HA -0.022 4.319 4.340 0.001 0.000 0.213 462 R C 0.559 176.875 176.300 0.028 0.000 1.068 462 R CA 0.316 56.340 56.100 -0.126 0.000 1.004 462 R CB -0.090 30.154 30.300 -0.092 0.000 0.873 462 R HN 0.188 nan 8.270 nan 0.000 0.467 463 E N 1.865 122.058 120.200 -0.011 0.000 2.415 463 E HA 0.006 4.357 4.350 0.001 0.000 0.260 463 E C -0.798 175.830 176.600 0.046 0.000 1.016 463 E CA -0.108 56.295 56.400 0.004 0.000 0.924 463 E CB 0.535 30.219 29.700 -0.028 0.000 0.961 463 E HN 0.258 nan 8.360 nan 0.000 0.459 464 L N 4.230 125.463 121.223 0.017 0.000 2.326 464 L HA 0.126 4.467 4.340 0.001 0.000 0.278 464 L C 0.540 177.399 176.870 -0.019 0.000 1.092 464 L CA -0.424 54.399 54.840 -0.027 0.000 0.810 464 L CB 0.812 42.829 42.059 -0.070 0.000 1.153 464 L HN 0.515 nan 8.230 nan 0.000 0.439 465 D N 3.088 123.491 120.400 0.006 0.000 2.374 465 D HA -0.009 4.632 4.640 0.001 0.000 0.240 465 D C 0.874 177.135 176.300 -0.065 0.000 1.229 465 D CA -0.100 53.896 54.000 -0.007 0.000 0.895 465 D CB 1.092 41.914 40.800 0.036 0.000 1.046 465 D HN 0.447 nan 8.370 nan 0.000 0.498 466 Q N 2.799 122.559 119.800 -0.067 0.000 2.112 466 Q HA -0.201 4.140 4.340 0.001 0.000 0.206 466 Q C 1.320 177.257 176.000 -0.105 0.000 0.987 466 Q CA 1.533 57.290 55.803 -0.078 0.000 0.858 466 Q CB 0.098 28.799 28.738 -0.062 0.000 0.905 466 Q HN 0.586 nan 8.270 nan 0.000 0.420 467 E N 0.282 120.408 120.200 -0.123 0.000 2.106 467 E HA -0.095 4.256 4.350 0.001 0.000 0.192 467 E C 1.793 178.262 176.600 -0.218 0.000 0.984 467 E CA 0.997 57.306 56.400 -0.151 0.000 0.806 467 E CB 0.047 29.659 29.700 -0.146 0.000 0.750 467 E HN 0.234 nan 8.360 nan 0.000 0.458 468 K N 0.081 120.299 120.400 -0.303 0.000 2.314 468 K HA 0.168 4.488 4.320 0.001 0.000 0.198 468 K C 0.284 176.726 176.600 -0.263 0.000 1.045 468 K CA 0.075 56.068 56.287 -0.490 0.000 0.988 468 K CB 0.419 32.261 32.500 -1.097 0.000 0.783 468 K HN -0.057 nan 8.250 nan 0.000 0.484 469 S N 1.426 117.050 115.700 -0.127 0.000 2.564 469 S HA 0.119 4.589 4.470 0.001 0.000 0.278 469 S C 0.178 174.717 174.600 -0.101 0.000 1.333 469 S CA -0.651 57.514 58.200 -0.058 0.000 1.048 469 S CB 1.237 64.388 63.200 -0.080 0.000 0.900 469 S HN 0.275 nan 8.310 nan 0.000 0.505 470 S N 1.500 117.135 115.700 -0.108 0.000 2.715 470 S HA 0.515 4.986 4.470 0.001 0.000 0.307 470 S C 0.964 175.437 174.600 -0.213 0.000 1.119 470 S CA -0.842 57.263 58.200 -0.159 0.000 0.937 470 S CB 0.483 63.579 63.200 -0.175 0.000 1.150 470 S HN 0.455 nan 8.310 nan 0.000 0.521 471 I N 1.089 121.498 120.570 -0.268 0.000 2.143 471 I HA -0.175 3.995 4.170 0.001 0.000 0.245 471 I C 1.987 177.872 176.117 -0.386 0.000 1.068 471 I CA 2.491 63.603 61.300 -0.313 0.000 1.326 471 I CB -1.160 36.632 38.000 -0.347 0.000 1.028 471 I HN 0.848 nan 8.210 nan 0.000 0.412 472 A N -1.055 121.433 122.820 -0.553 0.000 2.220 472 A HA 0.172 4.493 4.320 0.001 0.000 0.211 472 A C 1.262 178.674 177.584 -0.287 0.000 1.176 472 A CA 0.175 51.911 52.037 -0.502 0.000 0.834 472 A CB -0.198 18.340 19.000 -0.770 0.000 0.868 472 A HN 0.582 nan 8.150 nan 0.000 0.488 473 Q N 0.826 120.488 119.800 -0.230 0.000 2.589 473 Q HA 0.276 4.617 4.340 0.001 0.000 0.245 473 Q C -3.090 172.848 176.000 -0.102 0.000 0.931 473 Q CA -2.150 53.573 55.803 -0.135 0.000 0.730 473 Q CB 2.548 31.241 28.738 -0.075 0.000 1.315 473 Q HN 0.171 nan 8.270 nan 0.000 0.469 474 P HA 0.108 nan 4.420 nan 0.000 0.274 474 P C -1.052 176.116 177.300 -0.220 0.000 1.237 474 P CA -0.216 62.763 63.100 -0.201 0.000 0.793 474 P CB 0.747 32.287 31.700 -0.267 0.000 0.977 475 W N 3.171 124.184 121.300 -0.478 0.000 2.715 475 W HA 0.267 4.927 4.660 0.001 0.000 0.331 475 W C -1.355 174.863 176.519 -0.502 0.000 1.031 475 W CA -0.353 56.756 57.345 -0.392 0.000 1.237 475 W CB 0.981 30.310 29.460 -0.218 0.000 1.378 475 W HN 0.526 nan 8.180 nan 0.000 0.454 476 H N 3.984 123.012 119.070 -0.069 0.000 2.473 476 H HA 0.211 4.767 4.556 0.001 0.000 0.327 476 H C 1.287 176.569 175.328 -0.077 0.000 1.105 476 H CA -0.107 55.829 56.048 -0.186 0.000 1.280 476 H CB 2.380 31.824 29.762 -0.531 0.000 1.450 476 H HN 0.253 nan 8.280 nan 0.000 0.492 477 K N 0.837 121.276 120.400 0.065 0.000 2.063 477 K HA -0.156 4.165 4.320 0.001 0.000 0.208 477 K C -0.083 176.618 176.600 0.169 0.000 1.048 477 K CA 0.939 57.305 56.287 0.132 0.000 0.928 477 K CB 0.009 32.556 32.500 0.079 0.000 0.713 477 K HN 0.740 nan 8.250 nan 0.000 0.442 478 H N -0.200 118.934 119.070 0.106 0.000 2.655 478 H HA -0.182 4.374 4.556 0.001 0.000 0.313 478 H C 0.960 176.273 175.328 -0.026 0.000 1.141 478 H CA 1.242 57.305 56.048 0.026 0.000 1.138 478 H CB -1.346 28.480 29.762 0.107 0.000 1.446 478 H HN 0.585 nan 8.280 nan 0.000 0.415 479 E N 0.189 120.415 120.200 0.043 0.000 2.251 479 E HA 0.033 4.384 4.350 0.001 0.000 0.194 479 E C -0.079 176.506 176.600 -0.025 0.000 0.964 479 E CA 0.814 57.233 56.400 0.032 0.000 0.868 479 E CB 0.834 30.564 29.700 0.049 0.000 0.828 479 E HN 0.263 nan 8.360 nan 0.000 0.481 480 T N 0.459 114.968 114.554 -0.075 0.000 2.916 480 T HA 0.294 4.644 4.350 0.001 0.000 0.305 480 T C -1.319 173.293 174.700 -0.146 0.000 1.119 480 T CA -0.708 61.346 62.100 -0.076 0.000 1.008 480 T CB 2.043 70.884 68.868 -0.045 0.000 1.129 480 T HN -0.009 nan 8.240 nan 0.000 0.480 481 E N 1.973 122.107 120.200 -0.110 0.000 2.134 481 E HA 0.346 4.696 4.350 0.001 0.000 0.278 481 E C -0.661 175.920 176.600 -0.031 0.000 0.959 481 E CA -0.426 55.915 56.400 -0.098 0.000 0.783 481 E CB 1.118 30.807 29.700 -0.018 0.000 1.095 481 E HN 0.402 nan 8.360 nan 0.000 0.399 482 L N 4.923 126.132 121.223 -0.022 0.000 2.407 482 L HA 0.242 4.582 4.340 0.001 0.000 0.261 482 L C 0.316 177.196 176.870 0.016 0.000 1.108 482 L CA -0.595 54.242 54.840 -0.005 0.000 0.995 482 L CB -0.000 42.049 42.059 -0.016 0.000 1.349 482 L HN 0.198 nan 8.230 nan 0.000 0.423 483 K N 2.587 123.002 120.400 0.026 0.000 2.230 483 K HA 0.461 4.781 4.320 0.001 0.000 0.253 483 K C -0.284 176.333 176.600 0.029 0.000 1.008 483 K CA -0.247 56.062 56.287 0.037 0.000 0.910 483 K CB 1.308 33.833 32.500 0.042 0.000 0.994 483 K HN 0.329 nan 8.250 nan 0.000 0.495 484 L N 0.386 121.629 121.223 0.033 0.000 2.342 484 L HA 0.306 4.647 4.340 0.001 0.000 0.271 484 L C 0.611 177.500 176.870 0.033 0.000 1.008 484 L CA -0.817 54.041 54.840 0.030 0.000 0.818 484 L CB 1.773 43.849 42.059 0.028 0.000 1.296 484 L HN 0.653 nan 8.230 nan 0.000 0.427 485 S N 0.255 115.974 115.700 0.031 0.000 2.645 485 S HA 0.213 4.683 4.470 0.001 0.000 0.266 485 S C -0.276 174.346 174.600 0.036 0.000 1.258 485 S CA -0.758 57.462 58.200 0.032 0.000 0.990 485 S CB 1.198 64.415 63.200 0.028 0.000 0.967 485 S HN 0.699 nan 8.310 nan 0.000 0.556 486 Q N 1.304 121.125 119.800 0.035 0.000 2.441 486 Q HA 0.246 4.587 4.340 0.001 0.000 0.234 486 Q C -1.640 174.382 176.000 0.037 0.000 1.078 486 Q CA -0.448 55.379 55.803 0.039 0.000 0.907 486 Q CB -0.359 28.401 28.738 0.036 0.000 1.269 486 Q HN 0.775 nan 8.270 nan 0.000 0.502 487 D N 2.925 123.350 120.400 0.041 0.000 2.323 487 D HA 0.078 4.719 4.640 0.001 0.000 0.242 487 D C -0.625 175.705 176.300 0.050 0.000 1.347 487 D CA -0.566 53.465 54.000 0.052 0.000 0.988 487 D CB 0.444 41.284 40.800 0.067 0.000 1.314 487 D HN 0.624 nan 8.370 nan 0.000 0.564 488 E N 1.437 121.663 120.200 0.043 0.000 2.373 488 E HA 0.351 4.702 4.350 0.001 0.000 0.263 488 E C -0.515 176.116 176.600 0.052 0.000 1.073 488 E CA -0.709 55.715 56.400 0.039 0.000 0.894 488 E CB 1.278 31.002 29.700 0.039 0.000 1.008 488 E HN 0.434 nan 8.360 nan 0.000 0.420 489 I N 3.178 123.776 120.570 0.046 0.000 2.337 489 I HA 0.160 4.330 4.170 0.001 0.000 0.285 489 I C -0.183 176.061 176.117 0.211 0.000 1.041 489 I CA -0.984 60.361 61.300 0.074 0.000 1.199 489 I CB 1.181 39.087 38.000 -0.156 0.000 1.370 489 I HN 0.402 nan 8.210 nan 0.000 0.470 490 V N 5.041 125.041 119.914 0.143 0.000 2.630 490 V HA 0.711 4.832 4.120 0.001 0.000 0.305 490 V C -2.605 173.366 176.094 -0.206 0.000 1.046 490 V CA -2.413 59.900 62.300 0.021 0.000 0.934 490 V CB 1.472 33.277 31.823 -0.031 0.000 1.003 490 V HN 0.425 nan 8.190 nan 0.000 0.451 491 P HA 0.398 nan 4.420 nan 0.000 0.286 491 P C -0.517 176.494 177.300 -0.481 0.000 1.269 491 P CA -0.065 62.414 63.100 -1.035 0.000 0.787 491 P CB 1.492 32.321 31.700 -1.451 0.000 0.920 492 V N 0.559 120.255 119.914 -0.363 0.000 2.864 492 V HA 0.645 4.765 4.120 0.001 0.000 0.314 492 V C -0.505 175.500 176.094 -0.149 0.000 1.073 492 V CA -1.003 61.183 62.300 -0.189 0.000 0.956 492 V CB 2.391 34.136 31.823 -0.129 0.000 1.023 492 V HN 0.390 nan 8.190 nan 0.000 0.435 493 E N 3.015 123.191 120.200 -0.040 0.000 2.199 493 E HA 0.603 4.953 4.350 0.001 0.000 0.265 493 E C -1.284 175.351 176.600 0.058 0.000 0.882 493 E CA -0.562 55.826 56.400 -0.021 0.000 0.759 493 E CB 2.536 32.207 29.700 -0.048 0.000 1.148 493 E HN 0.705 nan 8.360 nan 0.000 0.412 494 I N 2.151 122.713 120.570 -0.013 0.000 2.354 494 I HA 0.153 4.323 4.170 0.001 0.000 0.292 494 I C 0.317 176.414 176.117 -0.033 0.000 0.989 494 I CA -0.523 60.770 61.300 -0.012 0.000 1.188 494 I CB 1.305 39.263 38.000 -0.071 0.000 1.342 494 I HN 0.469 nan 8.210 nan 0.000 0.457 495 E N 7.326 127.530 120.200 0.006 0.000 2.029 495 E HA 0.239 4.589 4.350 0.001 0.000 0.276 495 E C -1.026 175.529 176.600 -0.076 0.000 1.163 495 E CA -0.492 55.884 56.400 -0.040 0.000 0.909 495 E CB 0.568 30.255 29.700 -0.021 0.000 1.046 495 E HN 0.501 nan 8.360 nan 0.000 0.406 496 L N 5.723 126.881 121.223 -0.108 0.000 2.319 496 L HA 0.233 4.573 4.340 0.001 0.000 0.280 496 L C 0.321 177.128 176.870 -0.105 0.000 1.099 496 L CA -0.354 54.406 54.840 -0.134 0.000 0.828 496 L CB 0.688 42.664 42.059 -0.139 0.000 1.150 496 L HN 0.472 nan 8.230 nan 0.000 0.442 497 L N 4.785 125.955 121.223 -0.089 0.000 2.464 497 L HA 0.252 4.592 4.340 0.001 0.000 0.264 497 L C -1.956 174.876 176.870 -0.065 0.000 1.199 497 L CA -1.827 52.987 54.840 -0.044 0.000 0.818 497 L CB 0.241 42.312 42.059 0.019 0.000 1.102 497 L HN 0.337 nan 8.230 nan 0.000 0.473 498 P HA -0.008 nan 4.420 nan 0.000 0.262 498 P C -1.061 176.211 177.300 -0.048 0.000 1.182 498 P CA 0.217 63.241 63.100 -0.127 0.000 0.761 498 P CB 0.596 31.968 31.700 -0.546 0.000 0.795 499 S N 1.687 117.128 115.700 -0.433 0.000 2.564 499 S HA 0.815 5.285 4.470 0.001 0.000 0.274 499 S C -0.567 173.038 174.600 -1.659 0.000 1.124 499 S CA -0.921 56.658 58.200 -1.035 0.000 0.869 499 S CB 1.940 64.805 63.200 -0.558 0.000 1.105 499 S HN 0.430 nan 8.310 nan 0.000 0.472 500 G N 0.972 108.304 108.800 -2.447 0.000 2.675 500 G HA2 0.621 4.581 3.960 0.001 0.000 0.297 500 G HA3 0.621 4.581 3.960 0.001 0.000 0.297 500 G C -1.045 173.304 174.900 -0.918 0.000 1.399 500 G CA -0.602 43.685 45.100 -1.355 0.000 0.981 500 G HN 0.796 nan 8.290 nan 0.000 0.519 501 T N 1.455 115.678 114.554 -0.551 0.000 2.916 501 T HA 0.486 4.837 4.350 0.001 0.000 0.305 501 T C -1.186 173.319 174.700 -0.324 0.000 1.119 501 T CA -0.574 61.216 62.100 -0.518 0.000 1.008 501 T CB 2.049 70.566 68.868 -0.585 0.000 1.129 501 T HN 0.535 nan 8.240 nan 0.000 0.480 502 L N 2.305 123.316 121.223 -0.354 0.000 2.295 502 L HA 0.734 5.074 4.340 0.001 0.000 0.285 502 L C -1.688 174.938 176.870 -0.408 0.000 1.035 502 L CA -0.467 54.233 54.840 -0.233 0.000 0.806 502 L CB 0.184 42.157 42.059 -0.143 0.000 1.214 502 L HN 0.617 nan 8.230 nan 0.000 0.426 503 F N 4.467 124.238 119.950 -0.299 0.000 2.347 503 F HA 0.474 5.001 4.527 0.001 0.000 0.366 503 F C 0.511 176.155 175.800 -0.260 0.000 1.107 503 F CA -0.770 57.026 58.000 -0.339 0.000 1.058 503 F CB 0.976 39.488 39.000 -0.814 0.000 1.236 503 F HN 0.389 nan 8.300 nan 0.000 0.456 504 K N 1.768 122.179 120.400 0.018 0.000 2.319 504 K HA 0.026 4.346 4.320 0.001 0.000 0.265 504 K C 0.231 176.901 176.600 0.117 0.000 1.000 504 K CA -0.446 55.869 56.287 0.046 0.000 0.943 504 K CB 0.486 33.011 32.500 0.040 0.000 0.950 504 K HN 0.599 nan 8.250 nan 0.000 0.485 505 Q N 0.622 120.490 119.800 0.113 0.000 2.618 505 Q HA -0.181 4.160 4.340 0.001 0.000 0.344 505 Q C 0.671 176.749 176.000 0.130 0.000 1.073 505 Q CA 1.404 57.290 55.803 0.138 0.000 1.105 505 Q CB -0.182 28.612 28.738 0.093 0.000 1.028 505 Q HN 0.852 nan 8.270 nan 0.000 0.397 506 G N 2.978 111.868 108.800 0.151 0.000 2.234 506 G HA2 -0.238 3.722 3.960 0.001 0.000 0.235 506 G HA3 -0.238 3.722 3.960 0.001 0.000 0.235 506 G C -0.125 174.861 174.900 0.144 0.000 0.997 506 G CA 0.195 45.361 45.100 0.110 0.000 0.623 506 G HN 0.642 nan 8.290 nan 0.000 0.514 507 E N 0.386 120.720 120.200 0.224 0.000 2.312 507 E HA 0.589 4.939 4.350 0.001 0.000 0.259 507 E C -0.431 176.430 176.600 0.436 0.000 1.122 507 E CA 0.085 56.655 56.400 0.283 0.000 0.922 507 E CB 0.950 30.814 29.700 0.273 0.000 1.109 507 E HN 0.134 nan 8.360 nan 0.000 0.442 508 T N 1.194 116.010 114.554 0.437 0.000 2.886 508 T HA 0.358 4.709 4.350 0.001 0.000 0.292 508 T C -0.799 174.192 174.700 0.485 0.000 1.012 508 T CA -0.655 61.663 62.100 0.363 0.000 0.982 508 T CB 0.935 69.905 68.868 0.170 0.000 1.018 508 T HN 0.281 nan 8.240 nan 0.000 0.451 509 L N 2.878 124.307 121.223 0.343 0.000 2.289 509 L HA 0.660 5.001 4.340 0.001 0.000 0.285 509 L C -0.167 176.794 176.870 0.151 0.000 1.049 509 L CA -0.406 54.569 54.840 0.225 0.000 0.804 509 L CB 0.909 42.923 42.059 -0.075 0.000 1.195 509 L HN 0.705 nan 8.230 nan 0.000 0.428 510 E N 4.310 124.609 120.200 0.164 0.000 2.224 510 E HA 0.451 4.801 4.350 0.001 0.000 0.265 510 E C -1.775 174.889 176.600 0.105 0.000 0.878 510 E CA -0.795 55.679 56.400 0.124 0.000 0.759 510 E CB 2.021 31.788 29.700 0.111 0.000 1.164 510 E HN 0.480 nan 8.360 nan 0.000 0.414 511 V N 4.538 124.520 119.914 0.113 0.000 2.394 511 V HA 0.372 4.493 4.120 0.001 0.000 0.282 511 V C -0.272 175.902 176.094 0.133 0.000 1.031 511 V CA -0.734 61.621 62.300 0.092 0.000 0.881 511 V CB 1.406 33.264 31.823 0.058 0.000 0.982 511 V HN 0.514 nan 8.190 nan 0.000 0.451 512 V N 5.405 125.357 119.914 0.063 0.000 2.448 512 V HA 0.554 4.674 4.120 0.001 0.000 0.295 512 V C -0.240 175.852 176.094 -0.005 0.000 1.025 512 V CA -0.595 61.723 62.300 0.030 0.000 0.859 512 V CB 1.934 33.754 31.823 -0.006 0.000 0.988 512 V HN 0.603 nan 8.190 nan 0.000 0.431 513 V N 4.615 124.511 119.914 -0.030 0.000 2.555 513 V HA 0.703 4.824 4.120 0.001 0.000 0.302 513 V C -0.191 175.682 176.094 -0.368 0.000 1.038 513 V CA -0.613 61.635 62.300 -0.087 0.000 0.887 513 V CB 1.893 33.738 31.823 0.036 0.000 0.991 513 V HN 0.949 nan 8.190 nan 0.000 0.434 514 K N 1.839 122.078 120.400 -0.268 0.000 2.579 514 K HA 0.566 4.886 4.320 0.001 0.000 0.284 514 K C 0.591 177.232 176.600 0.068 0.000 0.990 514 K CA -0.133 55.927 56.287 -0.379 0.000 0.880 514 K CB 2.053 34.425 32.500 -0.214 0.000 1.488 514 K HN 0.681 nan 8.250 nan 0.000 0.425 515 G N 0.223 109.103 108.800 0.134 0.000 3.088 515 G HA2 0.135 4.095 3.960 0.001 0.000 0.217 515 G HA3 0.135 4.095 3.960 0.001 0.000 0.217 515 G C -0.155 174.668 174.900 -0.128 0.000 1.159 515 G CA 0.547 45.798 45.100 0.250 0.000 0.760 515 G HN 0.599 nan 8.290 nan 0.000 0.550 516 S N -1.167 114.187 115.700 -0.576 0.000 2.776 516 S HA 0.529 4.999 4.470 0.001 0.000 0.292 516 S C -1.025 172.859 174.600 -1.193 0.000 1.187 516 S CA -0.787 56.700 58.200 -1.189 0.000 0.834 516 S CB 1.842 64.775 63.200 -0.445 0.000 1.199 516 S HN -0.061 nan 8.310 nan 0.000 0.514 517 E N 0.297 120.047 120.200 -0.750 0.000 2.608 517 E HA 0.144 4.494 4.350 0.001 0.000 0.259 517 E C 0.571 177.142 176.600 -0.048 0.000 0.951 517 E CA 0.386 56.724 56.400 -0.103 0.000 0.945 517 E CB -0.008 29.805 29.700 0.189 0.000 0.916 517 E HN 0.535 nan 8.360 nan 0.000 0.477 518 I N 2.912 123.508 120.570 0.044 0.000 2.188 518 I HA -0.123 4.048 4.170 0.001 0.000 0.237 518 I C 0.368 176.513 176.117 0.047 0.000 1.073 518 I CA 0.450 61.760 61.300 0.018 0.000 1.359 518 I CB 0.054 38.063 38.000 0.014 0.000 1.083 518 I HN 0.272 nan 8.210 nan 0.000 0.412 519 V N 2.791 122.764 119.914 0.098 0.000 2.488 519 V HA 0.136 4.256 4.120 0.001 0.000 0.277 519 V C -0.238 175.923 176.094 0.111 0.000 1.046 519 V CA -0.113 62.247 62.300 0.100 0.000 0.986 519 V CB 1.252 33.153 31.823 0.129 0.000 0.989 519 V HN 0.103 nan 8.190 nan 0.000 0.475 520 I N 4.104 124.715 120.570 0.068 0.000 2.474 520 I HA 0.889 5.060 4.170 0.001 0.000 0.294 520 I C 0.312 176.451 176.117 0.038 0.000 1.005 520 I CA 0.902 62.237 61.300 0.058 0.000 1.113 520 I CB 1.424 39.441 38.000 0.028 0.000 1.289 520 I HN 0.961 nan 8.210 nan 0.000 0.436 521 G N 5.010 113.828 108.800 0.030 0.000 2.655 521 G HA2 -0.038 3.923 3.960 0.001 0.000 0.680 521 G HA3 -0.038 3.923 3.960 0.001 0.000 0.680 521 G C -1.352 173.532 174.900 -0.027 0.000 1.302 521 G CA -0.205 44.894 45.100 -0.002 0.000 0.872 521 G HN 1.206 nan 8.290 nan 0.000 0.540 522 N N -2.695 115.970 118.700 -0.058 0.000 3.283 522 N HA 0.717 5.457 4.740 0.001 0.000 0.338 522 N C 0.834 176.308 175.510 -0.059 0.000 1.517 522 N CA 0.376 53.370 53.050 -0.094 0.000 0.733 522 N CB 0.808 39.184 38.487 -0.185 0.000 1.797 522 N HN 1.294 nan 8.380 nan 0.000 0.637 523 S N -2.751 112.914 115.700 -0.058 0.000 2.557 523 S HA 0.182 4.653 4.470 0.001 0.000 0.223 523 S C -0.137 174.396 174.600 -0.111 0.000 0.969 523 S CA 0.217 58.430 58.200 0.023 0.000 0.927 523 S CB -1.200 62.152 63.200 0.253 0.000 0.806 523 S HN 0.853 nan 8.310 nan 0.000 0.489 524 T N -0.617 113.789 114.554 -0.247 0.000 3.583 524 T HA 0.437 4.787 4.350 0.001 0.000 0.266 524 T C -3.250 171.317 174.700 -0.221 0.000 1.296 524 T CA -1.531 60.372 62.100 -0.329 0.000 1.668 524 T CB 0.263 68.750 68.868 -0.635 0.000 0.832 524 T HN -0.085 nan 8.240 nan 0.000 0.649 525 P HA 0.378 nan 4.420 nan 0.000 0.258 525 P C 1.008 178.252 177.300 -0.094 0.000 1.172 525 P CA 1.614 64.657 63.100 -0.096 0.000 0.762 525 P CB -0.138 31.526 31.700 -0.060 0.000 0.764 529 T N -2.372 111.709 114.554 -0.789 0.000 3.067 529 T HA 0.049 4.399 4.350 0.001 0.000 0.257 529 T C 0.934 175.447 174.700 -0.311 0.000 1.105 529 T CA 0.219 61.899 62.100 -0.701 0.000 1.104 529 T CB 0.299 68.651 68.868 -0.861 0.000 0.925 529 T HN 0.264 nan 8.240 nan 0.000 0.498 530 R N 0.682 120.962 120.500 -0.367 0.000 2.596 530 R HA 0.464 4.804 4.340 0.001 0.000 0.267 530 R C -0.495 175.757 176.300 -0.081 0.000 1.026 530 R CA -1.136 54.668 56.100 -0.493 0.000 1.087 530 R CB 0.555 30.537 30.300 -0.531 0.000 1.132 530 R HN 0.392 nan 8.270 nan 0.000 0.531 531 Y N -0.253 120.259 120.300 0.353 0.000 2.607 531 Y HA 0.196 4.746 4.550 0.001 0.000 0.348 531 Y C -0.474 175.478 175.900 0.087 0.000 1.261 531 Y CA -0.275 57.972 58.100 0.245 0.000 1.480 531 Y CB 0.197 38.790 38.460 0.223 0.000 1.358 531 Y HN 0.472 nan 8.280 nan 0.000 0.630 532 E N 0.178 120.473 120.200 0.159 0.000 2.408 532 E HA 0.320 4.670 4.350 0.001 0.000 0.275 532 E C -1.648 174.849 176.600 -0.173 0.000 0.935 532 E CA -1.049 55.423 56.400 0.120 0.000 0.775 532 E CB 1.721 31.476 29.700 0.092 0.000 1.277 532 E HN 0.781 nan 8.360 nan 0.000 0.455 533 H N 0.664 119.893 119.070 0.265 0.000 2.616 533 H HA 0.134 4.690 4.556 0.001 0.000 0.229 533 H C 0.037 175.488 175.328 0.205 0.000 1.418 533 H CA -0.109 56.086 56.048 0.245 0.000 1.248 533 H CB 0.612 30.624 29.762 0.416 0.000 1.822 533 H HN 0.344 nan 8.280 nan 0.000 0.522 534 E N 0.751 121.063 120.200 0.187 0.000 2.150 534 E HA -0.072 4.279 4.350 0.001 0.000 0.193 534 E C 0.020 176.704 176.600 0.139 0.000 0.985 534 E CA 0.680 57.164 56.400 0.141 0.000 0.814 534 E CB 0.283 30.038 29.700 0.091 0.000 0.752 534 E HN 0.644 nan 8.360 nan 0.000 0.466 535 E N 0.748 121.032 120.200 0.141 0.000 2.129 535 E HA 0.145 4.496 4.350 0.001 0.000 0.283 535 E C -0.453 176.243 176.600 0.159 0.000 1.080 535 E CA 0.088 56.564 56.400 0.128 0.000 0.867 535 E CB 1.049 30.813 29.700 0.106 0.000 1.056 535 E HN -0.177 nan 8.360 nan 0.000 0.404 536 T N 1.215 115.858 114.554 0.147 0.000 2.906 536 T HA 0.266 4.617 4.350 0.001 0.000 0.295 536 T C 0.518 175.301 174.700 0.138 0.000 1.061 536 T CA -0.776 61.425 62.100 0.167 0.000 1.000 536 T CB 1.337 70.317 68.868 0.186 0.000 1.103 536 T HN 0.262 nan 8.240 nan 0.000 0.486 537 V N 1.009 121.011 119.914 0.147 0.000 3.647 537 V HA 0.462 4.582 4.120 0.001 0.000 0.279 537 V C 0.585 176.768 176.094 0.149 0.000 1.314 537 V CA -0.356 62.023 62.300 0.131 0.000 1.125 537 V CB -0.703 31.193 31.823 0.122 0.000 0.907 537 V HN 0.607 nan 8.190 nan 0.000 0.434 538 N N 3.214 122.017 118.700 0.172 0.000 2.468 538 N HA 0.317 5.058 4.740 0.001 0.000 0.265 538 N C -0.390 175.175 175.510 0.092 0.000 1.199 538 N CA 0.576 53.730 53.050 0.173 0.000 0.928 538 N CB 0.636 39.208 38.487 0.142 0.000 1.059 538 N HN 0.530 nan 8.380 nan 0.000 0.467 539 K N 1.200 121.655 120.400 0.091 0.000 2.482 539 K HA 0.540 4.860 4.320 0.001 0.000 0.251 539 K C -0.014 176.595 176.600 0.015 0.000 0.936 539 K CA -0.630 55.681 56.287 0.040 0.000 0.791 539 K CB 2.086 34.617 32.500 0.051 0.000 1.213 539 K HN 0.741 nan 8.250 nan 0.000 0.428 545 Y N 4.210 124.520 120.300 0.016 0.000 2.323 545 Y HA 0.697 5.247 4.550 0.001 0.000 0.331 545 Y C 1.194 177.113 175.900 0.032 0.000 1.092 545 Y CA -0.351 57.676 58.100 -0.122 0.000 1.150 545 Y CB 1.841 39.938 38.460 -0.606 0.000 1.200 545 Y HN 0.637 nan 8.280 nan 0.000 0.472 546 T N -0.803 113.876 114.554 0.209 0.000 2.887 546 T HA 0.844 5.194 4.350 0.001 0.000 0.292 546 T C -0.014 174.826 174.700 0.234 0.000 1.087 546 T CA -0.477 61.751 62.100 0.214 0.000 1.009 546 T CB 1.544 70.501 68.868 0.149 0.000 1.203 546 T HN 1.437 nan 8.240 nan 0.000 0.518 547 G N -0.814 108.080 108.800 0.157 0.000 2.755 547 G HA2 0.357 4.317 3.960 0.001 0.000 0.686 547 G HA3 0.357 4.317 3.960 0.001 0.000 0.686 547 G C 0.747 175.644 174.900 -0.005 0.000 1.427 547 G CA 0.235 45.384 45.100 0.081 0.000 0.873 547 G HN 2.472 nan 8.290 nan 0.000 0.580 548 G N 0.905 109.653 108.800 -0.087 0.000 2.685 548 G HA2 -0.336 3.625 3.960 0.001 0.000 0.329 548 G HA3 -0.336 3.625 3.960 0.001 0.000 0.329 548 G C 1.526 176.233 174.900 -0.321 0.000 1.271 548 G CA 2.101 47.091 45.100 -0.183 0.000 1.003 548 G HN 2.045 nan 8.290 nan 0.000 0.549 549 K N -0.573 119.495 120.400 -0.554 0.000 2.113 549 K HA -0.112 4.209 4.320 0.001 0.000 0.208 549 K C 0.942 176.851 176.600 -1.152 0.000 1.047 549 K CA 1.879 57.647 56.287 -0.866 0.000 0.928 549 K CB -0.281 31.534 32.500 -1.141 0.000 0.716 549 K HN 0.503 nan 8.250 nan 0.000 0.446 550 Y N 2.358 122.252 120.300 -0.677 0.000 2.636 550 Y HA 0.093 4.643 4.550 0.001 0.000 0.334 550 Y C -0.415 175.281 175.900 -0.341 0.000 1.286 550 Y CA -1.395 56.080 58.100 -1.041 0.000 1.688 550 Y CB -0.199 37.941 38.460 -0.534 0.000 1.662 550 Y HN 0.150 nan 8.280 nan 0.000 0.465 551 D N -0.561 119.835 120.400 -0.006 0.000 2.982 551 D HA -0.005 4.635 4.640 0.001 0.000 0.238 551 D C -0.135 176.398 176.300 0.389 0.000 1.168 551 D CA -0.118 54.025 54.000 0.240 0.000 0.947 551 D CB -0.261 40.676 40.800 0.228 0.000 1.147 551 D HN 0.098 nan 8.370 nan 0.000 0.450 552 S N 1.028 116.962 115.700 0.390 0.000 2.552 552 S HA 0.202 4.673 4.470 0.001 0.000 0.289 552 S C 0.318 174.962 174.600 0.073 0.000 1.304 552 S CA -0.223 58.123 58.200 0.243 0.000 1.063 552 S CB 0.405 63.701 63.200 0.160 0.000 0.848 552 S HN 0.657 nan 8.310 nan 0.000 0.499 553 Q N 1.151 120.923 119.800 -0.047 0.000 2.594 553 Q HA 0.587 4.927 4.340 0.001 0.000 0.278 553 Q C -1.953 173.919 176.000 -0.213 0.000 0.961 553 Q CA -1.037 54.657 55.803 -0.181 0.000 0.844 553 Q CB 0.983 29.544 28.738 -0.294 0.000 1.475 553 Q HN 0.446 nan 8.270 nan 0.000 0.389 554 L N 2.436 123.501 121.223 -0.263 0.000 2.305 554 L HA 0.503 4.844 4.340 0.001 0.000 0.284 554 L C -1.291 175.431 176.870 -0.248 0.000 1.013 554 L CA -0.729 53.974 54.840 -0.228 0.000 0.819 554 L CB 1.348 43.281 42.059 -0.210 0.000 1.227 554 L HN 0.654 nan 8.230 nan 0.000 0.417 555 I N 6.815 127.263 120.570 -0.203 0.000 2.352 555 I HA 0.269 4.439 4.170 0.001 0.000 0.290 555 I C 0.230 176.270 176.117 -0.128 0.000 1.036 555 I CA -0.144 61.051 61.300 -0.174 0.000 1.336 555 I CB 0.579 38.478 38.000 -0.168 0.000 1.407 555 I HN 0.621 nan 8.210 nan 0.000 0.497 556 I N 6.281 126.789 120.570 -0.103 0.000 2.530 556 I HA 0.593 4.763 4.170 0.001 0.000 0.297 556 I C -2.615 173.503 176.117 0.002 0.000 1.011 556 I CA -2.270 58.985 61.300 -0.076 0.000 1.107 556 I CB 2.621 40.543 38.000 -0.130 0.000 1.285 556 I HN 0.251 nan 8.210 nan 0.000 0.436 557 P HA 0.406 nan 4.420 nan 0.000 0.245 557 P C -0.537 176.698 177.300 -0.109 0.000 1.740 557 P CA -0.087 62.995 63.100 -0.030 0.000 1.125 557 P CB 0.410 32.116 31.700 0.010 0.000 1.747 558 I N 4.155 124.657 120.570 -0.113 0.000 2.396 558 I HA 0.179 4.349 4.170 0.001 0.000 0.289 558 I C 1.148 177.199 176.117 -0.111 0.000 1.056 558 I CA -0.371 60.878 61.300 -0.084 0.000 1.365 558 I CB 1.108 39.083 38.000 -0.042 0.000 1.407 558 I HN 0.151 nan 8.210 nan 0.000 0.509 559 V N 0.000 119.867 119.914 -0.079 0.000 2.409 559 V HA 0.000 4.120 4.120 0.001 0.000 0.244 559 V CA 0.000 62.256 62.300 -0.074 0.000 1.235 559 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 559 V HN 0.000 nan 8.190 nan 0.000 0.556