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 2wdx_1_D DATA FIRST_RESID 26 DATA SEQUENCE CLPPAGPVKV TPDDPRYLNL KLRGANSRFN GEPDYIHLVG STQQVADAVE DATA SEQUENCE ETVRTGKRVA VRSGGHCFED FVDNPDVKVI IDMSLLTEIA YDPSMNAFLI DATA SEQUENCE EPGNTLSEVY EKLYLGWNVT IPGGVCGGVG VGGHICGGGY GPLSRQFGSV DATA SEQUENCE VDYLYAVEVV VVNKQGKARV IVATRERDDP HHDLWWAHTG GGGGNFGVVT DATA SEQUENCE KYWMRVPEDV GRNPERLLPK PPATLLTSTV TFDWAGMTEA AFSRLLRNHG DATA SEQUENCE EWYERNSGPD SPYTGLWSQL MIGNEVPGMG ESGFMMPIQV DATRPDARRL DATA SEQUENCE LDAHIEAVID GVPPAEVPEP IEQRWLASTP GRGGRGPASK TKAGYLRKRL DATA SEQUENCE TDRQIQAVYE NMTHMDGIDY GAVWLIGYGG KVNTVDPAAT ALPQRDAILK DATA SEQUENCE VNYITGWANP GNEAKHLTWV RKLYADVYAE TGGVPVPNDV SDGAYINYPD DATA SEQUENCE SDLADPGLNT SGVPWHDLYY KGNHPRLRKV KAAYDPRNHF HHALSIRP 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 26 C HA 0.000 nan 4.460 nan 0.000 0.325 26 C C 0.000 175.006 174.990 0.027 0.000 1.270 26 C CA 0.000 59.036 59.018 0.030 0.000 1.963 26 C CB 0.000 27.759 27.740 0.031 0.000 2.134 27 L N 6.646 127.885 121.223 0.027 0.000 2.325 27 L HA 0.599 4.948 4.340 0.015 0.000 0.279 27 L C -1.303 175.582 176.870 0.025 0.000 1.054 27 L CA -1.184 53.671 54.840 0.025 0.000 0.804 27 L CB 1.148 43.221 42.059 0.023 0.000 1.200 27 L HN 0.566 nan 8.230 nan 0.000 0.436 28 P HA 0.129 nan 4.420 nan 0.000 0.267 28 P C -2.461 174.853 177.300 0.024 0.000 1.201 28 P CA -0.727 62.387 63.100 0.023 0.000 0.775 28 P CB -0.489 31.224 31.700 0.021 0.000 0.854 29 P HA 0.208 nan 4.420 nan 0.000 0.274 29 P C -0.609 176.707 177.300 0.027 0.000 1.237 29 P CA -0.446 62.670 63.100 0.026 0.000 0.793 29 P CB 0.519 32.235 31.700 0.027 0.000 0.977 30 A N 1.734 124.571 122.820 0.028 0.000 2.540 30 A HA 0.456 4.785 4.320 0.015 0.000 0.239 30 A C 0.995 178.601 177.584 0.036 0.000 1.061 30 A CA 0.448 52.502 52.037 0.029 0.000 0.758 30 A CB -0.678 18.339 19.000 0.028 0.000 0.991 30 A HN 0.688 nan 8.150 nan 0.000 0.502 31 G N 1.538 110.359 108.800 0.036 0.000 2.557 31 G HA2 0.585 4.554 3.960 0.015 0.000 0.292 31 G HA3 0.585 4.554 3.960 0.015 0.000 0.292 31 G C -2.591 172.345 174.900 0.060 0.000 1.237 31 G CA -1.386 43.739 45.100 0.042 0.000 0.978 31 G HN 0.622 nan 8.290 nan 0.000 0.498 32 P HA 0.275 nan 4.420 nan 0.000 0.276 32 P C -0.742 176.593 177.300 0.058 0.000 1.230 32 P CA -0.166 63.011 63.100 0.129 0.000 0.776 32 P CB 1.466 33.279 31.700 0.188 0.000 0.888 33 V N 4.062 123.997 119.914 0.035 0.000 2.443 33 V HA 0.306 4.435 4.120 0.015 0.000 0.293 33 V C 0.431 176.412 176.094 -0.188 0.000 1.021 33 V CA -0.707 61.563 62.300 -0.050 0.000 0.848 33 V CB 1.630 33.452 31.823 -0.002 0.000 0.998 33 V HN 0.443 nan 8.190 nan 0.000 0.424 34 K N 3.627 123.846 120.400 -0.302 0.000 2.273 34 K HA 0.482 4.811 4.320 0.015 0.000 0.287 34 K C -0.762 175.762 176.600 -0.126 0.000 1.089 34 K CA -0.321 55.723 56.287 -0.404 0.000 0.909 34 K CB 1.035 33.216 32.500 -0.531 0.000 1.123 34 K HN 0.570 nan 8.250 nan 0.000 0.473 35 V N 5.079 125.019 119.914 0.044 0.000 2.320 35 V HA 0.074 4.204 4.120 0.015 0.000 0.265 35 V C 0.549 176.788 176.094 0.242 0.000 1.048 35 V CA -0.701 61.684 62.300 0.141 0.000 0.865 35 V CB 0.362 32.290 31.823 0.175 0.000 1.043 35 V HN 0.856 nan 8.190 nan 0.000 0.474 36 T N 2.935 117.544 114.554 0.091 0.000 2.899 36 T HA 0.367 4.727 4.350 0.015 0.000 0.284 36 T C -1.721 172.809 174.700 -0.283 0.000 1.004 36 T CA -2.041 60.050 62.100 -0.016 0.000 1.043 36 T CB 1.690 70.525 68.868 -0.055 0.000 1.013 36 T HN 0.342 nan 8.240 nan 0.000 0.518 37 P HA -0.065 nan 4.420 nan 0.000 0.223 37 P C 1.040 178.011 177.300 -0.548 0.000 1.144 37 P CA 0.904 63.191 63.100 -1.356 0.000 0.783 37 P CB -0.005 31.171 31.700 -0.873 0.000 0.771 38 D N -2.339 117.902 120.400 -0.264 0.000 2.350 38 D HA -0.046 4.604 4.640 0.015 0.000 0.213 38 D C 0.350 176.625 176.300 -0.042 0.000 1.031 38 D CA 0.044 53.977 54.000 -0.112 0.000 0.861 38 D CB -0.494 40.254 40.800 -0.086 0.000 0.926 38 D HN 0.116 nan 8.370 nan 0.000 0.520 39 D N 2.134 122.521 120.400 -0.021 0.000 2.414 39 D HA -0.005 4.644 4.640 0.015 0.000 0.242 39 D C -1.173 175.175 176.300 0.079 0.000 1.129 39 D CA -1.318 52.705 54.000 0.037 0.000 0.885 39 D CB 2.188 43.027 40.800 0.064 0.000 1.198 39 D HN -0.072 nan 8.370 nan 0.000 0.437 40 P HA -0.101 nan 4.420 nan 0.000 0.220 40 P C 0.837 178.181 177.300 0.072 0.000 1.148 40 P CA 0.960 64.095 63.100 0.057 0.000 0.803 40 P CB 0.231 31.951 31.700 0.033 0.000 0.782 41 R N -2.096 118.451 120.500 0.078 0.000 2.299 41 R HA -0.028 4.321 4.340 0.015 0.000 0.197 41 R C 2.308 178.655 176.300 0.079 0.000 0.971 41 R CA 0.232 56.370 56.100 0.063 0.000 1.030 41 R CB -0.786 29.544 30.300 0.050 0.000 0.932 41 R HN 0.209 nan 8.270 nan 0.000 0.477 42 Y N 1.572 121.877 120.300 0.009 0.000 2.145 42 Y HA -0.197 4.362 4.550 0.015 0.000 0.286 42 Y C 1.762 177.667 175.900 0.009 0.000 1.145 42 Y CA 1.542 59.650 58.100 0.014 0.000 1.148 42 Y CB -0.118 38.353 38.460 0.018 0.000 0.981 42 Y HN -0.068 nan 8.280 nan 0.000 0.507 43 L N 0.101 121.330 121.223 0.010 0.000 2.083 43 L HA -0.252 4.097 4.340 0.015 0.000 0.209 43 L C 2.186 178.981 176.870 -0.125 0.000 1.083 43 L CA 1.217 56.000 54.840 -0.095 0.000 0.752 43 L CB -0.707 41.365 42.059 0.021 0.000 0.899 43 L HN 0.265 nan 8.230 nan 0.000 0.433 44 N N 0.074 118.730 118.700 -0.073 0.000 2.036 44 N HA -0.195 4.554 4.740 0.015 0.000 0.195 44 N C 1.725 177.175 175.510 -0.101 0.000 1.037 44 N CA 1.306 54.314 53.050 -0.069 0.000 0.855 44 N CB -0.410 38.055 38.487 -0.037 0.000 1.033 44 N HN 0.094 nan 8.380 nan 0.000 0.423 45 L N 1.536 122.684 121.223 -0.125 0.000 2.093 45 L HA -0.036 4.313 4.340 0.015 0.000 0.208 45 L C 2.170 178.928 176.870 -0.187 0.000 1.085 45 L CA 1.439 56.200 54.840 -0.130 0.000 0.755 45 L CB -0.786 41.210 42.059 -0.104 0.000 0.904 45 L HN 0.193 nan 8.230 nan 0.000 0.435 46 K N -0.596 119.615 120.400 -0.316 0.000 2.148 46 K HA -0.086 4.244 4.320 0.015 0.000 0.204 46 K C 1.474 177.968 176.600 -0.177 0.000 1.050 46 K CA 1.004 57.099 56.287 -0.320 0.000 0.942 46 K CB 0.073 32.257 32.500 -0.526 0.000 0.724 46 K HN 0.295 nan 8.250 nan 0.000 0.446 47 L N 0.949 122.082 121.223 -0.150 0.000 2.769 47 L HA 0.176 4.525 4.340 0.015 0.000 0.240 47 L C 1.580 178.391 176.870 -0.098 0.000 1.163 47 L CA -0.206 54.571 54.840 -0.105 0.000 0.962 47 L CB 0.204 42.209 42.059 -0.090 0.000 1.258 47 L HN 0.118 nan 8.230 nan 0.000 0.513 48 R N 0.144 120.585 120.500 -0.099 0.000 2.310 48 R HA 0.165 4.514 4.340 0.015 0.000 0.202 48 R C 0.962 177.195 176.300 -0.112 0.000 0.933 48 R CA 0.169 56.213 56.100 -0.094 0.000 1.054 48 R CB -0.268 29.987 30.300 -0.075 0.000 0.985 48 R HN 0.096 nan 8.270 nan 0.000 0.489 49 G N 0.362 109.097 108.800 -0.109 0.000 2.474 49 G HA2 0.208 4.177 3.960 0.015 0.000 0.233 49 G HA3 0.208 4.177 3.960 0.015 0.000 0.233 49 G C 0.804 175.585 174.900 -0.199 0.000 1.278 49 G CA 0.023 45.043 45.100 -0.134 0.000 0.861 49 G HN 0.313 nan 8.290 nan 0.000 0.567 50 A N 2.034 124.657 122.820 -0.328 0.000 1.929 50 A HA -0.005 4.324 4.320 0.015 0.000 0.216 50 A C 1.461 178.872 177.584 -0.288 0.000 1.176 50 A CA 1.019 52.797 52.037 -0.432 0.000 0.628 50 A CB -0.261 18.194 19.000 -0.909 0.000 0.816 50 A HN 0.695 nan 8.150 nan 0.000 0.444 51 N N 0.098 118.661 118.700 -0.229 0.000 2.462 51 N HA 0.228 4.978 4.740 0.015 0.000 0.242 51 N C 0.902 176.218 175.510 -0.324 0.000 1.010 51 N CA 0.373 53.263 53.050 -0.267 0.000 0.939 51 N CB 0.703 39.060 38.487 -0.217 0.000 1.127 51 N HN 0.264 nan 8.380 nan 0.000 0.509 52 S N 3.068 118.570 115.700 -0.330 0.000 2.595 52 S HA -0.055 4.425 4.470 0.015 0.000 0.235 52 S C 1.602 176.016 174.600 -0.309 0.000 0.974 52 S CA 0.241 58.278 58.200 -0.271 0.000 0.942 52 S CB -0.045 63.011 63.200 -0.240 0.000 0.766 52 S HN 0.595 nan 8.310 nan 0.000 0.536 53 R N 0.035 120.215 120.500 -0.533 0.000 2.152 53 R HA 0.096 4.445 4.340 0.015 0.000 0.232 53 R C -0.385 175.695 176.300 -0.367 0.000 1.117 53 R CA 0.804 56.576 56.100 -0.545 0.000 0.981 53 R CB -0.138 29.587 30.300 -0.957 0.000 0.870 53 R HN 0.519 nan 8.270 nan 0.000 0.451 54 F N 0.010 119.929 119.950 -0.052 0.000 2.469 54 F HA 0.342 4.878 4.527 0.016 0.000 0.332 54 F C -0.191 175.577 175.800 -0.053 0.000 1.103 54 F CA -1.214 56.757 58.000 -0.050 0.000 0.979 54 F CB 1.671 40.627 39.000 -0.073 0.000 1.137 54 F HN -0.205 nan 8.300 nan 0.000 0.463 55 N N 0.492 119.287 118.700 0.159 0.000 2.264 55 N HA 0.662 5.412 4.740 0.015 0.000 0.288 55 N C -0.752 174.788 175.510 0.050 0.000 1.094 55 N CA -0.694 52.396 53.050 0.068 0.000 0.817 55 N CB 2.307 40.819 38.487 0.042 0.000 1.604 55 N HN 0.784 nan 8.380 nan 0.000 0.473 56 G N -0.112 108.699 108.800 0.020 0.000 2.630 56 G HA2 0.573 4.542 3.960 0.015 0.000 0.296 56 G HA3 0.573 4.542 3.960 0.015 0.000 0.296 56 G C -1.165 173.750 174.900 0.025 0.000 1.285 56 G CA -0.411 44.697 45.100 0.012 0.000 0.958 56 G HN 0.372 nan 8.290 nan 0.000 0.479 57 E N 0.957 121.182 120.200 0.043 0.000 3.386 57 E HA 0.249 4.608 4.350 0.015 0.000 0.236 57 E C -2.521 174.143 176.600 0.106 0.000 1.227 57 E CA -1.288 55.171 56.400 0.098 0.000 0.970 57 E CB 1.469 31.221 29.700 0.087 0.000 1.343 57 E HN 0.239 nan 8.360 nan 0.000 0.397 58 P HA 0.113 nan 4.420 nan 0.000 0.272 58 P C 0.733 178.105 177.300 0.120 0.000 1.223 58 P CA -0.258 62.879 63.100 0.061 0.000 0.784 58 P CB 1.180 32.890 31.700 0.016 0.000 0.923 59 D N 0.089 120.499 120.400 0.016 0.000 2.144 59 D HA -0.089 4.560 4.640 0.015 0.000 0.199 59 D C 0.442 176.852 176.300 0.184 0.000 0.984 59 D CA 1.969 56.009 54.000 0.067 0.000 0.834 59 D CB -0.074 40.772 40.800 0.076 0.000 0.955 59 D HN 0.574 nan 8.370 nan 0.000 0.465 60 Y N -2.182 118.192 120.300 0.123 0.000 2.592 60 Y HA 0.522 5.081 4.550 0.016 0.000 0.334 60 Y C -1.459 174.542 175.900 0.169 0.000 1.136 60 Y CA -1.301 56.888 58.100 0.148 0.000 1.042 60 Y CB 0.643 39.133 38.460 0.049 0.000 1.325 60 Y HN -0.330 nan 8.280 nan 0.000 0.457 61 I N 2.823 123.595 120.570 0.336 0.000 2.354 61 I HA 0.272 4.452 4.170 0.015 0.000 0.292 61 I C -0.828 175.456 176.117 0.277 0.000 0.989 61 I CA -0.646 60.776 61.300 0.204 0.000 1.188 61 I CB 1.335 39.390 38.000 0.091 0.000 1.342 61 I HN 0.758 nan 8.210 nan 0.000 0.457 62 H N 6.500 125.700 119.070 0.216 0.000 2.741 62 H HA 0.438 5.003 4.556 0.015 0.000 0.282 62 H C -0.673 174.730 175.328 0.125 0.000 1.122 62 H CA -0.536 55.646 56.048 0.224 0.000 1.293 62 H CB 0.697 30.623 29.762 0.272 0.000 1.415 62 H HN 0.459 nan 8.280 nan 0.000 0.472 63 L N 5.919 127.271 121.223 0.214 0.000 2.360 63 L HA 0.217 4.566 4.340 0.015 0.000 0.276 63 L C -0.415 176.575 176.870 0.201 0.000 1.121 63 L CA -0.538 54.397 54.840 0.159 0.000 0.845 63 L CB 0.671 42.783 42.059 0.089 0.000 1.143 63 L HN 0.413 nan 8.230 nan 0.000 0.452 64 V N -0.232 119.768 119.914 0.143 0.000 2.577 64 V HA 0.664 4.794 4.120 0.015 0.000 0.303 64 V C 0.337 176.471 176.094 0.068 0.000 1.042 64 V CA -0.358 62.012 62.300 0.117 0.000 0.872 64 V CB 1.375 33.249 31.823 0.086 0.000 0.998 64 V HN 0.749 nan 8.190 nan 0.000 0.423 65 G N 2.708 111.543 108.800 0.058 0.000 3.159 65 G HA2 0.511 4.481 3.960 0.015 0.000 0.232 65 G HA3 0.511 4.481 3.960 0.015 0.000 0.232 65 G C 0.372 175.288 174.900 0.026 0.000 1.116 65 G CA 0.604 45.727 45.100 0.039 0.000 0.767 65 G HN 1.314 nan 8.290 nan 0.000 0.547 66 S N -2.298 113.417 115.700 0.024 0.000 2.625 66 S HA 0.430 4.909 4.470 0.015 0.000 0.271 66 S C 0.780 175.384 174.600 0.006 0.000 1.161 66 S CA 0.127 58.335 58.200 0.013 0.000 0.820 66 S CB 1.300 64.512 63.200 0.019 0.000 1.137 66 S HN -0.119 nan 8.310 nan 0.000 0.470 67 T N 1.228 115.780 114.554 -0.002 0.000 2.684 67 T HA -0.181 4.178 4.350 0.015 0.000 0.267 67 T C 1.776 176.478 174.700 0.002 0.000 1.036 67 T CA 2.227 64.323 62.100 -0.007 0.000 1.148 67 T CB -0.558 68.306 68.868 -0.006 0.000 0.863 67 T HN 0.671 nan 8.240 nan 0.000 0.436 68 Q N 1.196 121.002 119.800 0.011 0.000 2.135 68 Q HA -0.129 4.221 4.340 0.015 0.000 0.204 68 Q C 2.204 178.212 176.000 0.012 0.000 0.981 68 Q CA 1.698 57.509 55.803 0.014 0.000 0.856 68 Q CB -0.365 28.385 28.738 0.019 0.000 0.902 68 Q HN 0.615 nan 8.270 nan 0.000 0.425 69 Q N -1.346 118.463 119.800 0.015 0.000 2.172 69 Q HA -0.046 4.303 4.340 0.015 0.000 0.200 69 Q C 2.032 178.020 176.000 -0.021 0.000 0.964 69 Q CA 1.217 57.029 55.803 0.016 0.000 0.855 69 Q CB 0.185 28.949 28.738 0.044 0.000 0.918 69 Q HN 0.235 nan 8.270 nan 0.000 0.444 70 V N 0.798 120.705 119.914 -0.012 0.000 2.343 70 V HA -0.277 3.852 4.120 0.015 0.000 0.247 70 V C 2.192 178.280 176.094 -0.010 0.000 1.051 70 V CA 1.833 64.123 62.300 -0.017 0.000 1.036 70 V CB -0.838 30.983 31.823 -0.004 0.000 0.654 70 V HN 0.399 nan 8.190 nan 0.000 0.451 71 A N 0.128 122.948 122.820 -0.001 0.000 1.858 71 A HA -0.233 4.096 4.320 0.015 0.000 0.216 71 A C 1.984 179.565 177.584 -0.005 0.000 1.190 71 A CA 1.961 54.002 52.037 0.007 0.000 0.617 71 A CB -0.675 18.331 19.000 0.010 0.000 0.827 71 A HN 0.537 nan 8.150 nan 0.000 0.443 72 D N 0.318 120.711 120.400 -0.012 0.000 2.149 72 D HA -0.076 4.573 4.640 0.015 0.000 0.198 72 D C 2.150 178.424 176.300 -0.045 0.000 0.990 72 D CA 1.492 55.485 54.000 -0.011 0.000 0.839 72 D CB -0.499 40.306 40.800 0.009 0.000 0.948 72 D HN 0.443 nan 8.370 nan 0.000 0.460 73 A N 0.679 123.414 122.820 -0.141 0.000 1.902 73 A HA -0.132 4.197 4.320 0.015 0.000 0.217 73 A C 2.551 180.085 177.584 -0.084 0.000 1.181 73 A CA 1.259 53.110 52.037 -0.310 0.000 0.623 73 A CB -0.747 17.953 19.000 -0.501 0.000 0.818 73 A HN 0.147 nan 8.150 nan 0.000 0.443 74 V N 0.054 119.959 119.914 -0.014 0.000 2.261 74 V HA -0.271 3.858 4.120 0.015 0.000 0.246 74 V C 2.409 178.488 176.094 -0.025 0.000 1.047 74 V CA 2.286 64.610 62.300 0.039 0.000 1.015 74 V CB -0.944 30.944 31.823 0.108 0.000 0.642 74 V HN 0.635 nan 8.190 nan 0.000 0.446 75 E N -0.227 119.955 120.200 -0.030 0.000 2.130 75 E HA -0.312 4.047 4.350 0.015 0.000 0.196 75 E C 2.204 178.809 176.600 0.007 0.000 0.998 75 E CA 1.538 57.918 56.400 -0.033 0.000 0.806 75 E CB -0.131 29.561 29.700 -0.013 0.000 0.738 75 E HN 0.605 nan 8.360 nan 0.000 0.459 76 E N 0.440 120.665 120.200 0.042 0.000 2.110 76 E HA -0.175 4.184 4.350 0.015 0.000 0.193 76 E C 2.070 178.743 176.600 0.121 0.000 0.988 76 E CA 2.088 58.543 56.400 0.092 0.000 0.804 76 E CB -0.342 29.441 29.700 0.139 0.000 0.745 76 E HN 0.327 nan 8.360 nan 0.000 0.458 77 T N -1.610 113.022 114.554 0.129 0.000 2.821 77 T HA -0.143 4.216 4.350 0.015 0.000 0.267 77 T C 2.036 176.850 174.700 0.190 0.000 1.046 77 T CA 1.602 63.800 62.100 0.162 0.000 1.139 77 T CB -0.907 68.069 68.868 0.180 0.000 0.871 77 T HN 0.114 nan 8.240 nan 0.000 0.454 78 V N 1.397 121.385 119.914 0.123 0.000 2.358 78 V HA -0.056 4.073 4.120 0.015 0.000 0.246 78 V C 2.751 178.877 176.094 0.054 0.000 1.047 78 V CA 2.202 64.545 62.300 0.071 0.000 1.035 78 V CB -0.900 30.836 31.823 -0.145 0.000 0.658 78 V HN 0.521 nan 8.190 nan 0.000 0.452 79 R N 0.805 121.329 120.500 0.040 0.000 2.112 79 R HA -0.187 4.163 4.340 0.015 0.000 0.242 79 R C 2.236 178.567 176.300 0.052 0.000 1.137 79 R CA 2.749 58.873 56.100 0.041 0.000 0.944 79 R CB -0.684 29.642 30.300 0.043 0.000 0.857 79 R HN 0.778 nan 8.270 nan 0.000 0.435 80 T N -3.777 110.820 114.554 0.073 0.000 3.086 80 T HA 0.321 4.680 4.350 0.015 0.000 0.250 80 T C 1.353 176.090 174.700 0.062 0.000 1.074 80 T CA 0.331 62.474 62.100 0.071 0.000 0.988 80 T CB 0.866 69.792 68.868 0.098 0.000 0.988 80 T HN 0.524 nan 8.240 nan 0.000 0.530 81 G N 2.323 111.164 108.800 0.068 0.000 2.550 81 G HA2 -0.337 3.632 3.960 0.015 0.000 0.233 81 G HA3 -0.337 3.632 3.960 0.015 0.000 0.233 81 G C 0.201 175.118 174.900 0.028 0.000 1.170 81 G CA 0.040 45.171 45.100 0.052 0.000 0.693 81 G HN 0.647 nan 8.290 nan 0.000 0.512 82 K N 1.776 122.193 120.400 0.027 0.000 2.464 82 K HA -0.047 4.282 4.320 0.015 0.000 0.265 82 K C 0.976 177.530 176.600 -0.077 0.000 1.055 82 K CA 0.436 56.715 56.287 -0.013 0.000 1.161 82 K CB 0.230 32.730 32.500 0.000 0.000 0.804 82 K HN 0.590 nan 8.250 nan 0.000 0.486 83 R N 2.440 122.879 120.500 -0.102 0.000 2.538 83 R HA 0.027 4.377 4.340 0.015 0.000 0.282 83 R C -0.514 175.668 176.300 -0.196 0.000 1.009 83 R CA -0.054 55.945 56.100 -0.168 0.000 1.063 83 R CB 0.550 30.779 30.300 -0.118 0.000 0.945 83 R HN 0.381 nan 8.270 nan 0.000 0.414 84 V N 3.573 123.324 119.914 -0.272 0.000 2.715 84 V HA 0.808 4.937 4.120 0.015 0.000 0.310 84 V C -0.964 175.052 176.094 -0.130 0.000 1.054 84 V CA -0.262 61.931 62.300 -0.178 0.000 0.928 84 V CB 1.806 33.557 31.823 -0.120 0.000 1.007 84 V HN 0.992 nan 8.190 nan 0.000 0.437 85 A N 4.925 127.717 122.820 -0.048 0.000 2.435 85 A HA 0.842 5.172 4.320 0.015 0.000 0.304 85 A C -1.189 176.429 177.584 0.056 0.000 1.064 85 A CA -0.550 51.492 52.037 0.007 0.000 0.727 85 A CB 1.991 20.975 19.000 -0.027 0.000 1.284 85 A HN 0.832 nan 8.150 nan 0.000 0.415 86 V N 1.970 121.938 119.914 0.089 0.000 2.481 86 V HA 0.554 4.684 4.120 0.015 0.000 0.286 86 V C 0.443 176.565 176.094 0.048 0.000 1.042 86 V CA -0.433 61.914 62.300 0.079 0.000 0.928 86 V CB 1.323 33.196 31.823 0.085 0.000 0.986 86 V HN 0.877 nan 8.190 nan 0.000 0.462 87 R N 2.873 123.396 120.500 0.037 0.000 2.439 87 R HA 0.558 4.907 4.340 0.015 0.000 0.310 87 R C -0.090 176.226 176.300 0.027 0.000 0.955 87 R CA -0.209 55.904 56.100 0.021 0.000 0.853 87 R CB 1.968 32.267 30.300 -0.001 0.000 1.171 87 R HN 0.825 nan 8.270 nan 0.000 0.449 88 S N 1.937 117.655 115.700 0.030 0.000 2.696 88 S HA 0.153 4.632 4.470 0.015 0.000 0.172 88 S C 1.392 176.005 174.600 0.022 0.000 0.767 88 S CA 0.378 58.598 58.200 0.034 0.000 0.856 88 S CB -0.089 63.145 63.200 0.056 0.000 0.782 88 S HN 0.803 nan 8.310 nan 0.000 0.582 89 G N -0.113 108.705 108.800 0.029 0.000 2.623 89 G HA2 0.335 4.304 3.960 0.015 0.000 0.214 89 G HA3 0.335 4.304 3.960 0.015 0.000 0.214 89 G C 1.029 175.950 174.900 0.035 0.000 1.138 89 G CA 0.642 45.766 45.100 0.041 0.000 0.794 89 G HN 1.039 nan 8.290 nan 0.000 0.535 90 G N -0.274 108.521 108.800 -0.009 0.000 2.166 90 G HA2 -0.320 3.649 3.960 0.015 0.000 0.260 90 G HA3 -0.320 3.649 3.960 0.015 0.000 0.260 90 G C 0.791 175.594 174.900 -0.162 0.000 0.986 90 G CA 0.602 45.657 45.100 -0.076 0.000 0.683 90 G HN 0.597 nan 8.290 nan 0.000 0.527 91 H N -0.634 118.351 119.070 -0.142 0.000 2.566 91 H HA 0.156 4.721 4.556 0.015 0.000 0.280 91 H C 1.539 176.651 175.328 -0.360 0.000 1.042 91 H CA 0.382 56.283 56.048 -0.245 0.000 1.168 91 H CB -0.264 29.344 29.762 -0.257 0.000 1.340 91 H HN 0.459 nan 8.280 nan 0.000 0.597 92 C N 1.364 120.549 119.300 -0.191 0.000 2.590 92 C HA -0.128 4.342 4.460 0.015 0.000 0.411 92 C C 1.696 176.578 174.990 -0.180 0.000 1.420 92 C CA -0.273 58.609 59.018 -0.227 0.000 1.643 92 C CB -1.584 26.009 27.740 -0.245 0.000 2.528 92 C HN 0.410 nan 8.230 nan 0.000 0.606 93 F N 2.222 122.121 119.950 -0.085 0.000 2.604 93 F HA 0.143 4.679 4.527 0.015 0.000 0.298 93 F C 1.640 177.416 175.800 -0.039 0.000 1.131 93 F CA 1.045 59.037 58.000 -0.014 0.000 1.457 93 F CB -0.239 38.766 39.000 0.007 0.000 1.095 93 F HN 0.625 nan 8.300 nan 0.000 0.574 94 E N -0.228 119.771 120.200 -0.335 0.000 2.355 94 E HA 0.104 4.463 4.350 0.015 0.000 0.261 94 E C 0.139 175.900 176.600 -1.399 0.000 0.943 94 E CA -0.245 55.650 56.400 -0.841 0.000 0.806 94 E CB 0.918 29.814 29.700 -1.340 0.000 1.286 94 E HN 0.008 nan 8.360 nan 0.000 0.424 95 D N 0.311 119.768 120.400 -1.573 0.000 2.346 95 D HA -0.057 4.592 4.640 0.015 0.000 0.248 95 D C 0.839 176.880 176.300 -0.430 0.000 1.173 95 D CA 0.091 53.344 54.000 -1.245 0.000 0.878 95 D CB -0.397 39.878 40.800 -0.874 0.000 0.919 95 D HN 0.112 nan 8.370 nan 0.000 0.513 96 F N 0.350 120.015 119.950 -0.475 0.000 2.250 96 F HA -0.101 4.434 4.527 0.014 0.000 0.301 96 F C 2.223 177.875 175.800 -0.246 0.000 1.077 96 F CA 0.298 58.074 58.000 -0.373 0.000 1.348 96 F CB -0.581 38.079 39.000 -0.567 0.000 1.040 96 F HN 0.042 nan 8.300 nan 0.000 0.509 97 V N -1.874 118.010 119.914 -0.050 0.000 3.013 97 V HA 0.066 4.195 4.120 0.015 0.000 0.238 97 V C 0.067 176.121 176.094 -0.066 0.000 1.161 97 V CA 0.465 62.736 62.300 -0.049 0.000 1.170 97 V CB 0.088 31.887 31.823 -0.041 0.000 0.917 97 V HN -0.058 nan 8.190 nan 0.000 0.478 98 D N 3.353 123.699 120.400 -0.090 0.000 2.499 98 D HA 0.330 4.979 4.640 0.015 0.000 0.225 98 D C -0.444 175.831 176.300 -0.041 0.000 1.124 98 D CA 0.183 54.160 54.000 -0.038 0.000 0.938 98 D CB 0.211 41.035 40.800 0.039 0.000 1.014 98 D HN 0.671 nan 8.370 nan 0.000 0.517 99 N N 0.030 118.708 118.700 -0.037 0.000 2.732 99 N HA 0.315 5.065 4.740 0.015 0.000 0.259 99 N C -2.670 172.837 175.510 -0.005 0.000 1.402 99 N CA -1.508 51.530 53.050 -0.020 0.000 0.829 99 N CB 2.257 40.716 38.487 -0.046 0.000 1.495 99 N HN -0.287 nan 8.380 nan 0.000 0.511 100 P HA 0.061 nan 4.420 nan 0.000 0.230 100 P C 0.056 177.356 177.300 0.001 0.000 1.158 100 P CA 0.944 64.051 63.100 0.011 0.000 0.769 100 P CB 0.174 31.885 31.700 0.019 0.000 0.807 101 D N -1.425 118.969 120.400 -0.011 0.000 2.366 101 D HA 0.036 4.685 4.640 0.015 0.000 0.205 101 D C 0.355 176.631 176.300 -0.040 0.000 1.022 101 D CA 0.342 54.332 54.000 -0.018 0.000 0.868 101 D CB 0.373 41.166 40.800 -0.012 0.000 0.953 101 D HN 0.006 nan 8.370 nan 0.000 0.514 102 V N 1.754 121.636 119.914 -0.052 0.000 2.470 102 V HA 0.030 4.159 4.120 0.015 0.000 0.276 102 V C 1.177 177.229 176.094 -0.070 0.000 1.040 102 V CA 0.323 62.577 62.300 -0.077 0.000 1.008 102 V CB 1.552 33.328 31.823 -0.078 0.000 0.990 102 V HN -0.148 nan 8.190 nan 0.000 0.477 103 K N 3.368 123.710 120.400 -0.095 0.000 2.348 103 K HA 0.294 4.623 4.320 0.015 0.000 0.194 103 K C -0.217 176.256 176.600 -0.212 0.000 1.052 103 K CA 0.425 56.648 56.287 -0.106 0.000 1.004 103 K CB 0.809 33.263 32.500 -0.077 0.000 0.873 103 K HN 0.507 nan 8.250 nan 0.000 0.523 104 V N 2.003 121.775 119.914 -0.236 0.000 2.525 104 V HA 0.400 4.530 4.120 0.015 0.000 0.299 104 V C -0.784 175.217 176.094 -0.156 0.000 1.034 104 V CA -0.862 61.231 62.300 -0.345 0.000 0.863 104 V CB 1.818 33.414 31.823 -0.378 0.000 0.999 104 V HN 0.031 nan 8.190 nan 0.000 0.423 105 I N 5.393 125.904 120.570 -0.099 0.000 2.331 105 I HA 0.435 4.614 4.170 0.015 0.000 0.292 105 I C -0.273 175.877 176.117 0.056 0.000 0.998 105 I CA -0.378 60.911 61.300 -0.017 0.000 1.267 105 I CB 1.594 39.585 38.000 -0.016 0.000 1.386 105 I HN 0.446 nan 8.210 nan 0.000 0.476 106 I N 5.725 126.341 120.570 0.076 0.000 2.291 106 I HA 0.111 4.290 4.170 0.015 0.000 0.292 106 I C -0.017 176.152 176.117 0.088 0.000 1.064 106 I CA -0.027 61.340 61.300 0.112 0.000 1.269 106 I CB 0.483 38.541 38.000 0.097 0.000 1.418 106 I HN 0.532 nan 8.210 nan 0.000 0.485 107 D N 7.914 128.373 120.400 0.098 0.000 2.280 107 D HA 0.194 4.843 4.640 0.015 0.000 0.236 107 D C 0.360 176.696 176.300 0.061 0.000 1.082 107 D CA -0.422 53.616 54.000 0.064 0.000 0.834 107 D CB 1.333 42.165 40.800 0.054 0.000 1.100 107 D HN 0.349 nan 8.370 nan 0.000 0.486 108 M N 2.731 122.357 119.600 0.044 0.000 2.530 108 M HA 0.028 4.517 4.480 0.015 0.000 0.231 108 M C 1.638 177.956 176.300 0.030 0.000 1.180 108 M CA -0.074 55.249 55.300 0.037 0.000 0.985 108 M CB -0.621 31.998 32.600 0.032 0.000 1.623 108 M HN 0.208 nan 8.290 nan 0.000 0.475 109 S N 1.213 116.930 115.700 0.029 0.000 2.402 109 S HA -0.058 4.421 4.470 0.015 0.000 0.233 109 S C 1.792 176.404 174.600 0.020 0.000 1.030 109 S CA 1.133 59.346 58.200 0.020 0.000 1.003 109 S CB -0.153 63.057 63.200 0.017 0.000 0.813 109 S HN 0.539 nan 8.310 nan 0.000 0.477 110 L N 0.632 121.871 121.223 0.027 0.000 2.554 110 L HA 0.182 4.531 4.340 0.015 0.000 0.226 110 L C 0.252 177.134 176.870 0.021 0.000 1.137 110 L CA 0.311 55.167 54.840 0.026 0.000 0.863 110 L CB -0.188 41.891 42.059 0.034 0.000 0.985 110 L HN 0.197 nan 8.230 nan 0.000 0.451 111 L N 1.465 122.698 121.223 0.017 0.000 2.449 111 L HA 0.138 4.487 4.340 0.015 0.000 0.255 111 L C 0.588 177.461 176.870 0.006 0.000 1.167 111 L CA -0.020 54.824 54.840 0.006 0.000 1.090 111 L CB 0.073 42.130 42.059 -0.002 0.000 1.385 111 L HN 0.149 nan 8.230 nan 0.000 0.411 112 T N -3.120 111.440 114.554 0.009 0.000 3.331 112 T HA 0.157 4.517 4.350 0.015 0.000 0.282 112 T C 0.088 174.800 174.700 0.021 0.000 1.010 112 T CA -0.619 61.488 62.100 0.012 0.000 0.928 112 T CB 0.201 69.076 68.868 0.013 0.000 1.154 112 T HN 0.349 nan 8.240 nan 0.000 0.516 113 E N 1.605 121.815 120.200 0.016 0.000 2.373 113 E HA 0.506 4.865 4.350 0.015 0.000 0.267 113 E C -0.832 175.796 176.600 0.046 0.000 1.032 113 E CA -0.366 56.054 56.400 0.033 0.000 0.889 113 E CB 0.437 30.147 29.700 0.015 0.000 0.984 113 E HN 0.554 nan 8.360 nan 0.000 0.425 114 I N 3.572 124.200 120.570 0.097 0.000 2.534 114 I HA 0.639 4.818 4.170 0.015 0.000 0.286 114 I C -0.945 175.322 176.117 0.249 0.000 1.094 114 I CA -0.501 60.885 61.300 0.143 0.000 1.055 114 I CB 1.770 39.858 38.000 0.146 0.000 1.225 114 I HN 0.621 nan 8.210 nan 0.000 0.435 115 A N 4.563 127.540 122.820 0.261 0.000 2.605 115 A HA 0.554 4.883 4.320 0.015 0.000 0.294 115 A C -1.726 176.006 177.584 0.245 0.000 1.062 115 A CA -0.557 51.686 52.037 0.342 0.000 0.682 115 A CB 1.028 20.177 19.000 0.247 0.000 1.278 115 A HN 0.585 nan 8.150 nan 0.000 0.410 116 Y N 1.605 121.926 120.300 0.036 0.000 2.511 116 Y HA 0.408 4.968 4.550 0.015 0.000 0.332 116 Y C -0.176 175.671 175.900 -0.088 0.000 1.177 116 Y CA 0.630 58.530 58.100 -0.333 0.000 1.422 116 Y CB 0.670 38.893 38.460 -0.396 0.000 1.271 116 Y HN 0.638 nan 8.280 nan 0.000 0.550 117 D N 8.204 128.041 120.400 -0.939 0.000 2.462 117 D HA 0.315 4.964 4.640 0.015 0.000 0.245 117 D C -2.322 173.428 176.300 -0.917 0.000 1.122 117 D CA -2.602 51.058 54.000 -0.565 0.000 0.864 117 D CB 2.031 42.821 40.800 -0.016 0.000 1.098 117 D HN 0.296 nan 8.370 nan 0.000 0.541 118 P HA -0.113 nan 4.420 nan 0.000 0.217 118 P C 1.396 178.558 177.300 -0.231 0.000 1.151 118 P CA 1.032 63.909 63.100 -0.373 0.000 0.828 118 P CB 0.170 31.832 31.700 -0.063 0.000 0.788 119 S N -1.431 114.157 115.700 -0.188 0.000 2.399 119 S HA -0.081 4.398 4.470 0.015 0.000 0.231 119 S C 1.695 176.169 174.600 -0.210 0.000 1.022 119 S CA 1.171 59.283 58.200 -0.148 0.000 0.983 119 S CB -0.979 62.161 63.200 -0.100 0.000 0.803 119 S HN -0.032 nan 8.310 nan 0.000 0.480 120 M N 1.147 120.570 119.600 -0.296 0.000 2.337 120 M HA 0.303 4.792 4.480 0.015 0.000 0.256 120 M C 0.663 176.753 176.300 -0.349 0.000 1.075 120 M CA 0.120 55.205 55.300 -0.358 0.000 1.024 120 M CB -1.310 30.900 32.600 -0.649 0.000 1.429 120 M HN 0.577 nan 8.290 nan 0.000 0.497 121 N N 1.726 120.219 118.700 -0.345 0.000 2.705 121 N HA -0.149 4.600 4.740 0.015 0.000 0.255 121 N C -0.787 174.571 175.510 -0.254 0.000 1.008 121 N CA 0.323 53.222 53.050 -0.252 0.000 0.742 121 N CB -0.187 38.210 38.487 -0.151 0.000 0.906 121 N HN 0.471 nan 8.380 nan 0.000 0.541 122 A N 0.446 123.053 122.820 -0.354 0.000 2.601 122 A HA 0.588 4.917 4.320 0.015 0.000 0.291 122 A C -1.068 176.394 177.584 -0.203 0.000 1.075 122 A CA -0.652 51.273 52.037 -0.187 0.000 0.671 122 A CB 0.570 19.567 19.000 -0.005 0.000 1.277 122 A HN 0.179 nan 8.150 nan 0.000 0.417 123 F N 1.070 121.085 119.950 0.109 0.000 2.472 123 F HA 0.352 4.888 4.527 0.015 0.000 0.364 123 F C 0.732 176.587 175.800 0.092 0.000 1.090 123 F CA 0.058 58.082 58.000 0.041 0.000 1.188 123 F CB 0.881 39.839 39.000 -0.070 0.000 1.105 123 F HN 0.453 nan 8.300 nan 0.000 0.536 124 L N 5.835 127.147 121.223 0.148 0.000 2.361 124 L HA 0.349 4.698 4.340 0.015 0.000 0.278 124 L C -0.577 176.275 176.870 -0.029 0.000 1.113 124 L CA -0.012 54.739 54.840 -0.149 0.000 0.849 124 L CB 0.203 42.173 42.059 -0.148 0.000 1.155 124 L HN 0.561 nan 8.230 nan 0.000 0.452 125 I N 5.009 125.544 120.570 -0.059 0.000 2.439 125 I HA 0.259 4.438 4.170 0.015 0.000 0.283 125 I C -0.238 175.890 176.117 0.018 0.000 1.023 125 I CA -0.555 60.754 61.300 0.014 0.000 1.100 125 I CB 1.756 39.786 38.000 0.050 0.000 1.238 125 I HN 0.565 nan 8.210 nan 0.000 0.445 126 E N 7.480 127.673 120.200 -0.013 0.000 2.349 126 E HA 0.162 4.522 4.350 0.015 0.000 0.265 126 E C -1.486 175.151 176.600 0.061 0.000 1.064 126 E CA -1.638 54.753 56.400 -0.015 0.000 0.886 126 E CB 0.992 30.665 29.700 -0.046 0.000 1.036 126 E HN 0.355 nan 8.360 nan 0.000 0.413 127 P HA -0.161 nan 4.420 nan 0.000 0.221 127 P C 1.022 178.363 177.300 0.069 0.000 1.145 127 P CA 1.095 64.275 63.100 0.135 0.000 0.795 127 P CB 0.160 31.916 31.700 0.094 0.000 0.775 128 G N -0.798 108.022 108.800 0.034 0.000 2.712 128 G HA2 -0.076 3.893 3.960 0.015 0.000 0.212 128 G HA3 -0.076 3.893 3.960 0.015 0.000 0.212 128 G C 0.847 175.749 174.900 0.004 0.000 1.142 128 G CA -0.165 44.946 45.100 0.019 0.000 0.789 128 G HN 0.261 nan 8.290 nan 0.000 0.535 129 N N 0.787 119.486 118.700 -0.003 0.000 2.441 129 N HA 0.072 4.822 4.740 0.015 0.000 0.251 129 N C -0.192 175.280 175.510 -0.063 0.000 1.242 129 N CA 0.590 53.621 53.050 -0.032 0.000 0.898 129 N CB 0.719 39.182 38.487 -0.040 0.000 1.100 129 N HN -0.092 nan 8.380 nan 0.000 0.443 130 T N 1.586 116.087 114.554 -0.089 0.000 2.922 130 T HA 0.237 4.596 4.350 0.015 0.000 0.285 130 T C 1.986 176.541 174.700 -0.242 0.000 1.005 130 T CA -0.586 61.433 62.100 -0.135 0.000 1.061 130 T CB 0.778 69.589 68.868 -0.096 0.000 1.007 130 T HN 0.281 nan 8.240 nan 0.000 0.502 131 L N 2.127 123.140 121.223 -0.351 0.000 2.042 131 L HA -0.150 4.199 4.340 0.015 0.000 0.210 131 L C 2.892 179.327 176.870 -0.725 0.000 1.076 131 L CA 1.850 56.307 54.840 -0.639 0.000 0.749 131 L CB -0.745 40.941 42.059 -0.621 0.000 0.893 131 L HN 0.786 nan 8.230 nan 0.000 0.432 132 S N -0.482 115.014 115.700 -0.341 0.000 2.382 132 S HA -0.211 4.268 4.470 0.015 0.000 0.228 132 S C 1.686 176.225 174.600 -0.102 0.000 1.027 132 S CA 1.301 59.412 58.200 -0.148 0.000 0.991 132 S CB -0.283 62.877 63.200 -0.067 0.000 0.823 132 S HN 0.482 nan 8.310 nan 0.000 0.469 133 E N 0.795 120.926 120.200 -0.115 0.000 2.077 133 E HA -0.065 4.294 4.350 0.015 0.000 0.193 133 E C 2.200 178.772 176.600 -0.047 0.000 0.989 133 E CA 1.293 57.661 56.400 -0.053 0.000 0.800 133 E CB -0.409 29.265 29.700 -0.044 0.000 0.746 133 E HN 0.412 nan 8.360 nan 0.000 0.452 134 V N 0.870 120.693 119.914 -0.152 0.000 2.255 134 V HA -0.295 3.834 4.120 0.015 0.000 0.247 134 V C 2.043 178.142 176.094 0.009 0.000 1.051 134 V CA 1.873 64.096 62.300 -0.129 0.000 1.018 134 V CB -0.695 30.963 31.823 -0.276 0.000 0.641 134 V HN 0.253 nan 8.190 nan 0.000 0.445 135 Y N 0.435 120.749 120.300 0.023 0.000 2.128 135 Y HA -0.210 4.349 4.550 0.015 0.000 0.284 135 Y C 2.573 178.554 175.900 0.136 0.000 1.154 135 Y CA 1.567 59.706 58.100 0.064 0.000 1.149 135 Y CB -0.967 37.502 38.460 0.015 0.000 0.976 135 Y HN 0.288 nan 8.280 nan 0.000 0.505 136 E N 0.467 120.822 120.200 0.259 0.000 2.031 136 E HA -0.201 4.159 4.350 0.015 0.000 0.193 136 E C 2.223 178.957 176.600 0.223 0.000 0.994 136 E CA 1.584 58.121 56.400 0.228 0.000 0.800 136 E CB -0.132 29.646 29.700 0.131 0.000 0.752 136 E HN 0.123 nan 8.360 nan 0.000 0.447 137 K N -0.211 120.293 120.400 0.173 0.000 2.057 137 K HA -0.099 4.230 4.320 0.015 0.000 0.207 137 K C 1.877 178.639 176.600 0.271 0.000 1.049 137 K CA 0.976 57.372 56.287 0.180 0.000 0.931 137 K CB -0.590 32.017 32.500 0.178 0.000 0.714 137 K HN 0.118 nan 8.250 nan 0.000 0.440 138 L N 0.043 121.430 121.223 0.273 0.000 2.046 138 L HA -0.120 4.229 4.340 0.015 0.000 0.208 138 L C 2.189 179.248 176.870 0.316 0.000 1.077 138 L CA 1.642 56.639 54.840 0.262 0.000 0.747 138 L CB -1.043 41.058 42.059 0.071 0.000 0.896 138 L HN 0.293 nan 8.230 nan 0.000 0.432 139 Y N -0.536 119.858 120.300 0.156 0.000 2.163 139 Y HA -0.191 4.369 4.550 0.016 0.000 0.288 139 Y C 2.326 178.275 175.900 0.083 0.000 1.136 139 Y CA 1.490 59.669 58.100 0.131 0.000 1.147 139 Y CB -0.295 38.291 38.460 0.211 0.000 0.987 139 Y HN 0.077 nan 8.280 nan 0.000 0.509 140 L N -1.048 120.166 121.223 -0.016 0.000 2.044 140 L HA -0.081 4.268 4.340 0.015 0.000 0.205 140 L C 2.681 179.396 176.870 -0.260 0.000 1.075 140 L CA 1.261 55.987 54.840 -0.190 0.000 0.747 140 L CB -1.184 40.824 42.059 -0.085 0.000 0.903 140 L HN 0.334 nan 8.230 nan 0.000 0.435 141 G N -1.042 107.581 108.800 -0.294 0.000 2.418 141 G HA2 -0.225 3.745 3.960 0.015 0.000 0.217 141 G HA3 -0.225 3.745 3.960 0.015 0.000 0.217 141 G C 1.123 175.525 174.900 -0.829 0.000 1.158 141 G CA 0.501 45.078 45.100 -0.871 0.000 0.771 141 G HN 0.436 nan 8.290 nan 0.000 0.545 142 W N -1.476 119.807 121.300 -0.029 0.000 2.079 142 W HA 0.248 4.918 4.660 0.016 0.000 0.285 142 W C 0.648 177.134 176.519 -0.054 0.000 0.891 142 W CA -0.340 56.996 57.345 -0.015 0.000 1.308 142 W CB 0.002 29.499 29.460 0.063 0.000 1.047 142 W HN 0.279 nan 8.180 nan 0.000 0.522 143 N N 1.800 120.555 118.700 0.092 0.000 2.746 143 N HA -0.170 4.579 4.740 0.015 0.000 0.250 143 N C -1.341 174.221 175.510 0.086 0.000 1.055 143 N CA 0.746 53.830 53.050 0.057 0.000 0.699 143 N CB -1.296 37.185 38.487 -0.010 0.000 0.919 143 N HN -0.075 nan 8.380 nan 0.000 0.548 144 V N -0.525 119.448 119.914 0.099 0.000 3.181 144 V HA 0.847 4.976 4.120 0.015 0.000 0.308 144 V C 0.252 176.293 176.094 -0.089 0.000 1.214 144 V CA -0.005 62.255 62.300 -0.067 0.000 1.053 144 V CB 2.275 34.030 31.823 -0.113 0.000 1.069 144 V HN 0.354 nan 8.190 nan 0.000 0.441 145 T N 1.935 116.354 114.554 -0.225 0.000 2.769 145 T HA 0.603 4.962 4.350 0.015 0.000 0.306 145 T C -2.065 172.500 174.700 -0.225 0.000 1.400 145 T CA -0.367 61.643 62.100 -0.151 0.000 1.007 145 T CB 1.522 70.288 68.868 -0.169 0.000 1.392 145 T HN 0.809 nan 8.240 nan 0.000 0.500 146 I N 1.028 121.573 120.570 -0.043 0.000 2.530 146 I HA 0.693 4.872 4.170 0.015 0.000 0.297 146 I C -2.818 173.335 176.117 0.059 0.000 1.011 146 I CA -3.048 58.216 61.300 -0.060 0.000 1.107 146 I CB 1.550 39.573 38.000 0.038 0.000 1.285 146 I HN 0.354 nan 8.210 nan 0.000 0.436 147 P HA 0.277 nan 4.420 nan 0.000 0.225 147 P C 0.221 177.652 177.300 0.219 0.000 1.813 147 P CA 0.277 63.473 63.100 0.160 0.000 1.013 147 P CB 0.016 31.883 31.700 0.277 0.000 1.961 148 G N 0.788 109.749 108.800 0.268 0.000 2.641 148 G HA2 0.550 4.519 3.960 0.015 0.000 0.239 148 G HA3 0.550 4.519 3.960 0.015 0.000 0.239 148 G C 0.174 175.215 174.900 0.234 0.000 1.402 148 G CA -0.624 44.725 45.100 0.416 0.000 1.046 148 G HN 0.347 nan 8.290 nan 0.000 0.565 149 G N -2.021 106.913 108.800 0.224 0.000 2.667 149 G HA2 0.355 4.324 3.960 0.015 0.000 0.250 149 G HA3 0.355 4.324 3.960 0.015 0.000 0.250 149 G C 0.975 175.863 174.900 -0.019 0.000 1.212 149 G CA 0.414 45.508 45.100 -0.011 0.000 0.874 149 G HN 1.035 nan 8.290 nan 0.000 0.561 150 V N -0.310 119.567 119.914 -0.062 0.000 2.575 150 V HA 0.003 4.132 4.120 0.015 0.000 0.242 150 V C 1.628 177.713 176.094 -0.015 0.000 1.045 150 V CA 0.520 62.794 62.300 -0.043 0.000 1.065 150 V CB -0.648 31.147 31.823 -0.047 0.000 0.717 150 V HN 0.687 nan 8.190 nan 0.000 0.467 151 C N 3.053 122.332 119.300 -0.035 0.000 2.250 151 C HA 0.141 4.611 4.460 0.015 0.000 0.405 151 C C 2.304 177.193 174.990 -0.168 0.000 1.516 151 C CA 0.622 59.579 59.018 -0.101 0.000 1.412 151 C CB -1.277 26.357 27.740 -0.176 0.000 2.534 151 C HN 0.719 nan 8.230 nan 0.000 0.621 152 G N 3.817 112.553 108.800 -0.106 0.000 2.529 152 G HA2 -0.190 3.779 3.960 0.015 0.000 0.219 152 G HA3 -0.190 3.779 3.960 0.015 0.000 0.219 152 G C 1.674 176.484 174.900 -0.150 0.000 1.177 152 G CA 0.966 46.003 45.100 -0.104 0.000 0.773 152 G HN 0.898 nan 8.290 nan 0.000 0.573 153 G N -0.490 108.227 108.800 -0.138 0.000 2.679 153 G HA2 0.204 4.173 3.960 0.015 0.000 0.212 153 G HA3 0.204 4.173 3.960 0.015 0.000 0.212 153 G C 0.559 175.375 174.900 -0.141 0.000 1.137 153 G CA 0.219 45.280 45.100 -0.064 0.000 0.787 153 G HN 0.369 nan 8.290 nan 0.000 0.534 154 V N 1.022 120.698 119.914 -0.396 0.000 2.655 154 V HA 0.450 4.579 4.120 0.015 0.000 0.300 154 V C 1.190 177.162 176.094 -0.203 0.000 1.044 154 V CA -0.021 62.051 62.300 -0.380 0.000 1.095 154 V CB 1.031 32.566 31.823 -0.482 0.000 0.952 154 V HN 0.213 nan 8.190 nan 0.000 0.485 155 G N 3.155 111.908 108.800 -0.078 0.000 2.420 155 G HA2 0.404 4.373 3.960 0.015 0.000 0.284 155 G HA3 0.404 4.373 3.960 0.015 0.000 0.284 155 G C 0.865 175.750 174.900 -0.024 0.000 1.177 155 G CA -0.474 44.601 45.100 -0.042 0.000 0.841 155 G HN 0.531 nan 8.290 nan 0.000 0.527 156 V N 2.813 122.711 119.914 -0.026 0.000 2.407 156 V HA -0.139 3.991 4.120 0.015 0.000 0.248 156 V C 3.031 179.176 176.094 0.085 0.000 1.055 156 V CA 2.514 64.805 62.300 -0.016 0.000 1.049 156 V CB -0.956 30.854 31.823 -0.022 0.000 0.662 156 V HN 0.883 nan 8.190 nan 0.000 0.455 157 G N 0.426 109.323 108.800 0.162 0.000 2.672 157 G HA2 -0.273 3.696 3.960 0.015 0.000 0.218 157 G HA3 -0.273 3.696 3.960 0.015 0.000 0.218 157 G C 1.577 176.615 174.900 0.230 0.000 1.238 157 G CA 1.173 46.417 45.100 0.240 0.000 0.791 157 G HN 0.596 nan 8.290 nan 0.000 0.606 158 G N -0.972 107.913 108.800 0.141 0.000 2.494 158 G HA2 -0.039 3.930 3.960 0.015 0.000 0.216 158 G HA3 -0.039 3.930 3.960 0.015 0.000 0.216 158 G C 1.549 176.509 174.900 0.101 0.000 1.140 158 G CA 1.194 46.363 45.100 0.115 0.000 0.801 158 G HN 0.608 nan 8.290 nan 0.000 0.536 159 H N 0.480 119.546 119.070 -0.008 0.000 2.326 159 H HA 0.122 4.688 4.556 0.016 0.000 0.301 159 H C 2.413 177.726 175.328 -0.026 0.000 1.081 159 H CA 1.407 57.442 56.048 -0.022 0.000 1.334 159 H CB -0.075 29.656 29.762 -0.053 0.000 1.385 159 H HN 0.299 nan 8.280 nan 0.000 0.504 160 I N -0.061 120.428 120.570 -0.136 0.000 2.193 160 I HA -0.280 3.899 4.170 0.015 0.000 0.240 160 I C 2.715 178.774 176.117 -0.097 0.000 1.084 160 I CA 1.188 62.322 61.300 -0.277 0.000 1.365 160 I CB -0.452 37.089 38.000 -0.766 0.000 1.064 160 I HN 0.566 nan 8.210 nan 0.000 0.410 161 C N 0.529 119.878 119.300 0.082 0.000 2.432 161 C HA 0.050 4.519 4.460 0.015 0.000 0.282 161 C C 2.566 177.595 174.990 0.066 0.000 1.388 161 C CA 0.241 59.370 59.018 0.185 0.000 1.777 161 C CB -1.973 25.989 27.740 0.370 0.000 1.882 161 C HN 0.550 nan 8.230 nan 0.000 0.520 162 G N -0.316 108.497 108.800 0.022 0.000 2.848 162 G HA2 0.375 4.345 3.960 0.015 0.000 0.208 162 G HA3 0.375 4.345 3.960 0.015 0.000 0.208 162 G C 1.309 176.226 174.900 0.029 0.000 1.152 162 G CA 0.624 45.709 45.100 -0.024 0.000 0.789 162 G HN 1.715 nan 8.290 nan 0.000 0.531 163 G N -0.687 108.143 108.800 0.049 0.000 2.171 163 G HA2 0.116 4.086 3.960 0.015 0.000 0.238 163 G HA3 0.116 4.086 3.960 0.015 0.000 0.238 163 G C 0.749 175.775 174.900 0.209 0.000 1.039 163 G CA 0.084 45.283 45.100 0.165 0.000 0.759 163 G HN 1.167 nan 8.290 nan 0.000 0.501 164 G N -0.381 108.332 108.800 -0.146 0.000 2.469 164 G HA2 0.535 4.505 3.960 0.015 0.000 0.229 164 G HA3 0.535 4.505 3.960 0.015 0.000 0.229 164 G C -0.034 174.950 174.900 0.140 0.000 1.222 164 G CA 1.074 45.898 45.100 -0.460 0.000 0.861 164 G HN 2.080 nan 8.290 nan 0.000 0.538 165 Y N -0.530 119.856 120.300 0.143 0.000 2.725 165 Y HA 0.753 5.313 4.550 0.017 0.000 0.333 165 Y C 0.137 176.169 175.900 0.220 0.000 1.242 165 Y CA -0.582 57.642 58.100 0.207 0.000 1.059 165 Y CB 0.902 39.492 38.460 0.217 0.000 1.306 165 Y HN 1.325 nan 8.280 nan 0.000 0.454 166 G N -0.297 108.322 108.800 -0.302 0.000 2.435 166 G HA2 0.368 4.337 3.960 0.015 0.000 0.296 166 G HA3 0.368 4.337 3.960 0.015 0.000 0.296 166 G C -2.874 171.682 174.900 -0.573 0.000 1.240 166 G CA -0.610 44.174 45.100 -0.526 0.000 0.872 166 G HN 0.386 nan 8.290 nan 0.000 0.480 167 P HA 0.110 nan 4.420 nan 0.000 0.225 167 P C 1.518 178.585 177.300 -0.387 0.000 1.148 167 P CA 0.783 63.088 63.100 -1.326 0.000 0.779 167 P CB 0.158 31.270 31.700 -0.981 0.000 0.780 168 L N -2.066 119.073 121.223 -0.140 0.000 2.607 168 L HA 0.125 4.474 4.340 0.015 0.000 0.228 168 L C 2.005 178.954 176.870 0.131 0.000 1.123 168 L CA 0.244 55.130 54.840 0.077 0.000 0.890 168 L CB -0.427 41.777 42.059 0.241 0.000 1.103 168 L HN -0.091 nan 8.230 nan 0.000 0.468 169 S N 0.434 116.209 115.700 0.125 0.000 2.374 169 S HA -0.209 4.270 4.470 0.015 0.000 0.227 169 S C 2.040 176.704 174.600 0.108 0.000 1.037 169 S CA 1.482 59.801 58.200 0.199 0.000 1.024 169 S CB -0.137 63.264 63.200 0.335 0.000 0.861 169 S HN 0.394 nan 8.310 nan 0.000 0.456 170 R N 0.587 121.148 120.500 0.101 0.000 2.120 170 R HA -0.047 4.302 4.340 0.015 0.000 0.234 170 R C 2.545 178.835 176.300 -0.016 0.000 1.123 170 R CA 1.197 57.338 56.100 0.067 0.000 0.975 170 R CB -0.124 30.284 30.300 0.181 0.000 0.866 170 R HN 0.457 nan 8.270 nan 0.000 0.446 171 Q N -1.391 118.346 119.800 -0.106 0.000 2.204 171 Q HA -0.015 4.335 4.340 0.015 0.000 0.198 171 Q C 0.458 176.171 176.000 -0.479 0.000 0.946 171 Q CA 1.046 56.608 55.803 -0.402 0.000 0.859 171 Q CB 0.443 28.760 28.738 -0.702 0.000 0.946 171 Q HN 0.236 nan 8.270 nan 0.000 0.474 172 F N -1.612 118.406 119.950 0.114 0.000 2.817 172 F HA 0.393 4.929 4.527 0.015 0.000 0.333 172 F C 0.850 176.806 175.800 0.260 0.000 1.085 172 F CA 0.469 58.588 58.000 0.198 0.000 1.170 172 F CB 1.298 40.410 39.000 0.187 0.000 1.066 172 F HN 0.156 nan 8.300 nan 0.000 0.564 173 G N 0.506 109.486 108.800 0.299 0.000 2.472 173 G HA2 -0.009 3.960 3.960 0.015 0.000 0.205 173 G HA3 -0.009 3.960 3.960 0.015 0.000 0.205 173 G C -0.637 174.425 174.900 0.271 0.000 1.270 173 G CA -0.409 44.817 45.100 0.211 0.000 0.974 173 G HN 0.374 nan 8.290 nan 0.000 0.542 174 S N -1.248 114.593 115.700 0.235 0.000 2.608 174 S HA 0.564 5.044 4.470 0.015 0.000 0.291 174 S C 1.774 176.561 174.600 0.311 0.000 1.146 174 S CA 0.436 58.803 58.200 0.278 0.000 1.043 174 S CB 1.568 64.905 63.200 0.229 0.000 1.037 174 S HN 1.661 nan 8.310 nan 0.000 0.520 175 V N 3.857 123.948 119.914 0.295 0.000 2.311 175 V HA -0.246 3.884 4.120 0.015 0.000 0.256 175 V C 2.486 178.740 176.094 0.267 0.000 1.077 175 V CA 2.597 65.067 62.300 0.283 0.000 1.067 175 V CB -1.310 30.613 31.823 0.166 0.000 0.659 175 V HN 0.923 nan 8.190 nan 0.000 0.451 176 V N -1.848 118.166 119.914 0.167 0.000 2.913 176 V HA -0.150 3.980 4.120 0.015 0.000 0.260 176 V C 1.786 177.958 176.094 0.129 0.000 1.098 176 V CA 2.038 64.407 62.300 0.115 0.000 1.121 176 V CB -0.883 30.951 31.823 0.018 0.000 0.714 176 V HN 0.474 nan 8.190 nan 0.000 0.487 177 D N -0.371 120.077 120.400 0.079 0.000 2.378 177 D HA -0.025 4.624 4.640 0.015 0.000 0.227 177 D C 1.146 177.251 176.300 -0.324 0.000 1.012 177 D CA 1.185 55.123 54.000 -0.103 0.000 0.905 177 D CB -0.110 40.575 40.800 -0.191 0.000 0.895 177 D HN 0.727 nan 8.370 nan 0.000 0.532 178 Y N -0.610 119.820 120.300 0.217 0.000 2.500 178 Y HA 0.219 4.779 4.550 0.016 0.000 0.246 178 Y C 0.405 176.487 175.900 0.304 0.000 1.146 178 Y CA -0.793 57.446 58.100 0.231 0.000 1.230 178 Y CB 0.475 39.037 38.460 0.171 0.000 1.214 178 Y HN -0.161 nan 8.280 nan 0.000 0.526 179 L N 0.822 122.295 121.223 0.417 0.000 2.485 179 L HA 0.032 4.381 4.340 0.015 0.000 0.279 179 L C 0.666 177.953 176.870 0.695 0.000 1.124 179 L CA 0.132 55.266 54.840 0.491 0.000 0.888 179 L CB -0.115 42.158 42.059 0.357 0.000 1.217 179 L HN 0.373 nan 8.230 nan 0.000 0.464 180 Y N 5.426 126.013 120.300 0.477 0.000 2.396 180 Y HA 0.626 5.185 4.550 0.016 0.000 0.292 180 Y C 0.517 176.580 175.900 0.271 0.000 1.128 180 Y CA 0.498 58.779 58.100 0.303 0.000 1.194 180 Y CB 0.419 38.989 38.460 0.183 0.000 1.124 180 Y HN 0.611 nan 8.280 nan 0.000 0.543 181 A N -0.003 122.989 122.820 0.287 0.000 2.594 181 A HA 0.691 5.020 4.320 0.015 0.000 0.291 181 A C -2.061 175.822 177.584 0.499 0.000 1.105 181 A CA -0.367 51.787 52.037 0.195 0.000 0.694 181 A CB 1.447 20.373 19.000 -0.124 0.000 1.291 181 A HN 0.135 nan 8.150 nan 0.000 0.410 182 V N 0.116 120.232 119.914 0.337 0.000 2.888 182 V HA 0.618 4.747 4.120 0.015 0.000 0.309 182 V C -1.006 175.146 176.094 0.096 0.000 1.114 182 V CA -0.417 61.941 62.300 0.097 0.000 0.940 182 V CB 1.915 33.621 31.823 -0.195 0.000 1.021 182 V HN 0.997 nan 8.190 nan 0.000 0.426 183 E N 4.034 124.207 120.200 -0.044 0.000 2.129 183 E HA 0.667 5.026 4.350 0.015 0.000 0.268 183 E C -1.726 174.760 176.600 -0.190 0.000 0.900 183 E CA -0.446 55.941 56.400 -0.021 0.000 0.755 183 E CB 1.788 31.513 29.700 0.042 0.000 1.117 183 E HN 0.540 nan 8.360 nan 0.000 0.410 184 V N 4.179 123.988 119.914 -0.176 0.000 2.540 184 V HA 0.310 4.439 4.120 0.015 0.000 0.302 184 V C -0.167 175.855 176.094 -0.121 0.000 1.035 184 V CA -1.026 61.155 62.300 -0.199 0.000 0.873 184 V CB 1.742 33.411 31.823 -0.257 0.000 0.992 184 V HN 0.460 nan 8.190 nan 0.000 0.428 185 V N 5.637 125.489 119.914 -0.104 0.000 2.368 185 V HA 0.414 4.544 4.120 0.015 0.000 0.266 185 V C 0.120 176.196 176.094 -0.030 0.000 1.045 185 V CA -0.216 62.058 62.300 -0.044 0.000 0.899 185 V CB 1.403 33.219 31.823 -0.013 0.000 1.006 185 V HN 0.773 nan 8.190 nan 0.000 0.470 186 V N 4.069 124.001 119.914 0.030 0.000 2.769 186 V HA 0.788 4.917 4.120 0.015 0.000 0.312 186 V C -0.384 175.804 176.094 0.157 0.000 1.058 186 V CA -0.778 61.590 62.300 0.113 0.000 0.952 186 V CB 1.987 33.901 31.823 0.153 0.000 1.019 186 V HN 0.379 nan 8.190 nan 0.000 0.445 187 V N 2.836 122.888 119.914 0.230 0.000 2.459 187 V HA 0.437 4.566 4.120 0.015 0.000 0.295 187 V C 0.334 176.492 176.094 0.106 0.000 1.029 187 V CA -0.683 61.693 62.300 0.126 0.000 0.874 187 V CB 1.155 32.998 31.823 0.033 0.000 0.985 187 V HN 0.971 nan 8.190 nan 0.000 0.438 188 N N 2.602 121.336 118.700 0.057 0.000 2.305 188 N HA -0.029 4.720 4.740 0.015 0.000 0.232 188 N C 1.186 176.714 175.510 0.029 0.000 1.274 188 N CA -0.034 53.039 53.050 0.038 0.000 0.870 188 N CB 0.420 38.919 38.487 0.020 0.000 1.105 188 N HN 0.704 nan 8.380 nan 0.000 0.436 189 K N 1.479 121.894 120.400 0.024 0.000 2.113 189 K HA -0.195 4.135 4.320 0.015 0.000 0.208 189 K C 1.105 177.711 176.600 0.011 0.000 1.047 189 K CA 1.745 58.043 56.287 0.019 0.000 0.928 189 K CB -0.092 32.415 32.500 0.012 0.000 0.716 189 K HN 0.498 nan 8.250 nan 0.000 0.446 190 Q N -1.172 118.633 119.800 0.007 0.000 2.435 190 Q HA 0.201 4.550 4.340 0.015 0.000 0.207 190 Q C 0.876 176.874 176.000 -0.004 0.000 0.956 190 Q CA 0.921 56.726 55.803 0.003 0.000 0.917 190 Q CB 0.347 29.088 28.738 0.004 0.000 0.997 190 Q HN 0.510 nan 8.270 nan 0.000 0.497 191 G N -0.141 108.651 108.800 -0.013 0.000 2.130 191 G HA2 -0.188 3.781 3.960 0.015 0.000 0.216 191 G HA3 -0.188 3.781 3.960 0.015 0.000 0.216 191 G C -0.370 174.505 174.900 -0.042 0.000 0.999 191 G CA -0.433 44.642 45.100 -0.040 0.000 0.686 191 G HN 0.033 nan 8.290 nan 0.000 0.515 192 K N 0.370 120.758 120.400 -0.019 0.000 2.244 192 K HA 0.735 5.064 4.320 0.015 0.000 0.260 192 K C 0.200 176.802 176.600 0.004 0.000 0.951 192 K CA -0.016 56.267 56.287 -0.008 0.000 0.826 192 K CB 2.027 34.528 32.500 0.003 0.000 1.108 192 K HN 0.624 nan 8.250 nan 0.000 0.433 193 A N 4.173 126.996 122.820 0.004 0.000 2.301 193 A HA 0.431 4.760 4.320 0.015 0.000 0.298 193 A C 0.150 177.750 177.584 0.025 0.000 1.185 193 A CA -0.581 51.470 52.037 0.023 0.000 0.830 193 A CB 0.361 19.374 19.000 0.022 0.000 1.112 193 A HN 0.805 nan 8.150 nan 0.000 0.508 194 R N 1.564 122.084 120.500 0.033 0.000 2.803 194 R HA 0.714 5.064 4.340 0.015 0.000 0.276 194 R C -1.753 174.553 176.300 0.009 0.000 0.978 194 R CA -0.647 55.467 56.100 0.022 0.000 0.939 194 R CB 1.336 31.652 30.300 0.026 0.000 1.179 194 R HN 0.282 nan 8.270 nan 0.000 0.472 195 V N 3.761 123.676 119.914 0.001 0.000 2.439 195 V HA 0.372 4.501 4.120 0.015 0.000 0.282 195 V C -0.013 176.062 176.094 -0.031 0.000 1.039 195 V CA -0.680 61.612 62.300 -0.012 0.000 0.913 195 V CB 1.324 33.149 31.823 0.004 0.000 0.983 195 V HN 0.584 nan 8.190 nan 0.000 0.460 196 I N 5.193 125.723 120.570 -0.068 0.000 2.498 196 I HA 0.439 4.618 4.170 0.015 0.000 0.290 196 I C -0.298 175.784 176.117 -0.059 0.000 1.032 196 I CA -0.748 60.479 61.300 -0.121 0.000 1.073 196 I CB 1.977 39.810 38.000 -0.278 0.000 1.251 196 I HN 0.223 nan 8.210 nan 0.000 0.426 197 V N 5.177 125.087 119.914 -0.007 0.000 2.328 197 V HA 0.688 4.817 4.120 0.015 0.000 0.278 197 V C 0.400 176.504 176.094 0.017 0.000 1.021 197 V CA -0.572 61.745 62.300 0.028 0.000 0.838 197 V CB 1.324 33.151 31.823 0.005 0.000 0.999 197 V HN 0.868 nan 8.190 nan 0.000 0.447 198 A N 3.969 126.797 122.820 0.014 0.000 2.318 198 A HA 0.876 5.206 4.320 0.015 0.000 0.324 198 A C 0.199 177.791 177.584 0.014 0.000 1.170 198 A CA -0.260 51.810 52.037 0.057 0.000 0.810 198 A CB 1.428 20.469 19.000 0.069 0.000 1.198 198 A HN 0.866 nan 8.150 nan 0.000 0.484 199 T N -0.966 113.517 114.554 -0.117 0.000 2.927 199 T HA 0.428 4.787 4.350 0.015 0.000 0.286 199 T C 0.813 175.092 174.700 -0.701 0.000 1.040 199 T CA -0.616 61.200 62.100 -0.472 0.000 1.010 199 T CB 1.259 69.696 68.868 -0.718 0.000 1.177 199 T HN 0.598 nan 8.240 nan 0.000 0.546 200 R N -0.120 119.605 120.500 -1.291 0.000 2.339 200 R HA 0.070 4.419 4.340 0.015 0.000 0.199 200 R C -0.053 175.890 176.300 -0.596 0.000 1.018 200 R CA 0.292 55.457 56.100 -1.557 0.000 1.036 200 R CB -0.132 29.493 30.300 -1.125 0.000 0.899 200 R HN 0.686 nan 8.270 nan 0.000 0.473 201 E N 0.124 120.102 120.200 -0.371 0.000 2.338 201 E HA 0.012 4.372 4.350 0.015 0.000 0.272 201 E C 0.588 177.002 176.600 -0.310 0.000 1.029 201 E CA -0.269 55.995 56.400 -0.227 0.000 0.872 201 E CB 1.154 30.767 29.700 -0.145 0.000 1.015 201 E HN 0.039 nan 8.360 nan 0.000 0.417 202 R N 1.708 121.998 120.500 -0.350 0.000 2.105 202 R HA -0.177 4.172 4.340 0.015 0.000 0.239 202 R C 1.262 177.328 176.300 -0.390 0.000 1.135 202 R CA 1.885 57.682 56.100 -0.505 0.000 0.967 202 R CB -0.113 30.012 30.300 -0.292 0.000 0.861 202 R HN 0.602 nan 8.270 nan 0.000 0.442 203 D N -0.180 120.084 120.400 -0.227 0.000 2.363 203 D HA -0.102 4.548 4.640 0.015 0.000 0.226 203 D C -0.172 176.054 176.300 -0.124 0.000 1.020 203 D CA 0.168 54.076 54.000 -0.153 0.000 0.892 203 D CB -0.395 40.340 40.800 -0.108 0.000 0.900 203 D HN 0.051 nan 8.370 nan 0.000 0.531 204 D N 0.917 121.241 120.400 -0.127 0.000 2.450 204 D HA -0.013 4.636 4.640 0.015 0.000 0.247 204 D C -1.354 174.934 176.300 -0.020 0.000 1.162 204 D CA -1.244 52.728 54.000 -0.047 0.000 0.879 204 D CB 1.656 42.457 40.800 0.002 0.000 1.163 204 D HN -0.028 nan 8.370 nan 0.000 0.472 205 P HA -0.091 nan 4.420 nan 0.000 0.218 205 P C 0.237 177.354 177.300 -0.305 0.000 1.149 205 P CA 1.126 64.092 63.100 -0.223 0.000 0.817 205 P CB 0.199 31.698 31.700 -0.335 0.000 0.785 206 H N -2.318 116.834 119.070 0.137 0.000 2.502 206 H HA 0.132 4.697 4.556 0.015 0.000 0.268 206 H C 1.295 176.734 175.328 0.186 0.000 1.177 206 H CA -0.235 55.936 56.048 0.204 0.000 0.961 206 H CB -0.706 29.166 29.762 0.182 0.000 1.737 206 H HN 0.347 nan 8.280 nan 0.000 0.569 207 H N 1.308 120.472 119.070 0.157 0.000 2.422 207 H HA -0.125 4.441 4.556 0.015 0.000 0.298 207 H C 0.622 176.148 175.328 0.330 0.000 1.098 207 H CA 1.230 57.391 56.048 0.187 0.000 1.315 207 H CB 0.563 30.372 29.762 0.078 0.000 1.382 207 H HN 0.313 nan 8.280 nan 0.000 0.523 208 D N 0.783 121.318 120.400 0.226 0.000 2.144 208 D HA -0.124 4.525 4.640 0.015 0.000 0.200 208 D C 2.464 178.821 176.300 0.094 0.000 0.978 208 D CA 0.216 54.316 54.000 0.167 0.000 0.833 208 D CB -0.192 40.721 40.800 0.187 0.000 0.961 208 D HN 0.379 nan 8.370 nan 0.000 0.470 209 L N -0.240 120.964 121.223 -0.033 0.000 2.141 209 L HA -0.137 4.212 4.340 0.015 0.000 0.209 209 L C 2.198 179.035 176.870 -0.055 0.000 1.094 209 L CA 0.999 55.641 54.840 -0.331 0.000 0.763 209 L CB -0.181 41.469 42.059 -0.681 0.000 0.908 209 L HN 0.197 nan 8.230 nan 0.000 0.437 210 W N -0.165 121.072 121.300 -0.104 0.000 2.355 210 W HA -0.268 4.403 4.660 0.017 0.000 0.309 210 W C 2.304 178.819 176.519 -0.007 0.000 1.206 210 W CA 1.532 58.834 57.345 -0.071 0.000 1.284 210 W CB -0.931 28.462 29.460 -0.111 0.000 1.145 210 W HN 0.276 nan 8.180 nan 0.000 0.502 211 W N 1.382 122.446 121.300 -0.393 0.000 2.402 211 W HA -0.081 4.585 4.660 0.011 0.000 0.286 211 W C 2.188 178.385 176.519 -0.537 0.000 1.221 211 W CA 2.992 59.927 57.345 -0.683 0.000 1.257 211 W CB -0.615 28.682 29.460 -0.272 0.000 1.120 211 W HN -0.017 nan 8.180 nan 0.000 0.551 212 A N -1.160 121.436 122.820 -0.372 0.000 2.209 212 A HA -0.105 4.224 4.320 0.015 0.000 0.212 212 A C 0.754 177.938 177.584 -0.667 0.000 1.158 212 A CA 1.423 53.067 52.037 -0.655 0.000 0.742 212 A CB -0.904 17.440 19.000 -1.093 0.000 0.790 212 A HN 0.530 nan 8.150 nan 0.000 0.472 213 H N -2.293 116.485 119.070 -0.486 0.000 2.592 213 H HA 0.198 4.764 4.556 0.017 0.000 0.279 213 H C 0.867 176.008 175.328 -0.311 0.000 1.089 213 H CA 0.798 56.696 56.048 -0.250 0.000 1.150 213 H CB 0.590 30.254 29.762 -0.164 0.000 1.575 213 H HN 0.254 nan 8.280 nan 0.000 0.547 214 T N -0.487 113.769 114.554 -0.496 0.000 3.258 214 T HA 0.367 4.726 4.350 0.015 0.000 0.263 214 T C 1.133 175.624 174.700 -0.349 0.000 0.983 214 T CA 0.549 62.349 62.100 -0.499 0.000 0.907 214 T CB -0.618 67.713 68.868 -0.895 0.000 1.096 214 T HN 0.628 nan 8.240 nan 0.000 0.556 215 G N -0.762 107.913 108.800 -0.208 0.000 2.321 215 G HA2 -0.079 3.891 3.960 0.015 0.000 0.174 215 G HA3 -0.079 3.891 3.960 0.015 0.000 0.174 215 G C 0.984 175.900 174.900 0.026 0.000 1.008 215 G CA 0.078 45.145 45.100 -0.054 0.000 0.739 215 G HN 0.549 nan 8.290 nan 0.000 0.502 216 G N 0.131 108.898 108.800 -0.054 0.000 2.572 216 G HA2 0.532 4.502 3.960 0.015 0.000 0.216 216 G HA3 0.532 4.502 3.960 0.015 0.000 0.216 216 G C 1.285 176.291 174.900 0.177 0.000 1.133 216 G CA 1.578 46.718 45.100 0.067 0.000 0.791 216 G HN 1.992 nan 8.290 nan 0.000 0.538 217 G N -1.581 107.280 108.800 0.102 0.000 2.730 217 G HA2 0.274 4.243 3.960 0.015 0.000 0.686 217 G HA3 0.274 4.243 3.960 0.015 0.000 0.686 217 G C 0.896 175.816 174.900 0.033 0.000 1.343 217 G CA -0.250 44.895 45.100 0.076 0.000 0.826 217 G HN 0.974 nan 8.290 nan 0.000 0.582 218 G N 0.405 109.239 108.800 0.057 0.000 2.800 218 G HA2 0.382 4.351 3.960 0.015 0.000 0.190 218 G HA3 0.382 4.351 3.960 0.015 0.000 0.190 218 G C 1.733 176.633 174.900 -0.001 0.000 1.468 218 G CA 1.257 46.393 45.100 0.060 0.000 0.840 218 G HN 2.121 nan 8.290 nan 0.000 0.588 219 G N 0.043 108.887 108.800 0.073 0.000 3.324 219 G HA2 0.151 4.120 3.960 0.015 0.000 0.232 219 G HA3 0.151 4.120 3.960 0.015 0.000 0.232 219 G C 0.861 175.690 174.900 -0.119 0.000 1.213 219 G CA 0.361 45.493 45.100 0.055 0.000 1.637 219 G HN 0.537 nan 8.290 nan 0.000 0.572 220 N N -0.298 118.183 118.700 -0.365 0.000 2.240 220 N HA 0.076 4.825 4.740 0.015 0.000 0.187 220 N C 1.106 176.236 175.510 -0.633 0.000 1.042 220 N CA 0.731 53.331 53.050 -0.751 0.000 0.861 220 N CB 0.021 37.619 38.487 -1.481 0.000 1.026 220 N HN 0.331 nan 8.380 nan 0.000 0.441 221 F N -0.450 119.426 119.950 -0.124 0.000 2.717 221 F HA 0.467 5.002 4.527 0.013 0.000 0.295 221 F C 1.249 176.895 175.800 -0.256 0.000 1.117 221 F CA 0.144 58.083 58.000 -0.102 0.000 1.361 221 F CB 0.382 39.316 39.000 -0.111 0.000 1.112 221 F HN 0.076 nan 8.300 nan 0.000 0.594 222 G N -0.366 108.101 108.800 -0.555 0.000 2.350 222 G HA2 0.286 4.256 3.960 0.015 0.000 0.276 222 G HA3 0.286 4.256 3.960 0.015 0.000 0.276 222 G C -1.942 172.490 174.900 -0.779 0.000 1.313 222 G CA -0.831 43.532 45.100 -1.227 0.000 0.903 222 G HN -0.171 nan 8.290 nan 0.000 0.490 223 V N 0.985 120.595 119.914 -0.506 0.000 2.333 223 V HA 0.474 4.604 4.120 0.015 0.000 0.274 223 V C 0.668 176.661 176.094 -0.168 0.000 1.028 223 V CA -0.687 61.479 62.300 -0.223 0.000 0.851 223 V CB 1.102 32.878 31.823 -0.080 0.000 1.000 223 V HN 0.717 nan 8.190 nan 0.000 0.456 224 V N 5.455 125.273 119.914 -0.159 0.000 2.446 224 V HA 0.077 4.207 4.120 0.015 0.000 0.276 224 V C 1.519 177.465 176.094 -0.246 0.000 1.030 224 V CA 0.924 63.058 62.300 -0.276 0.000 1.033 224 V CB 0.745 32.336 31.823 -0.385 0.000 0.993 224 V HN 1.102 nan 8.190 nan 0.000 0.477 225 T N 1.681 116.084 114.554 -0.252 0.000 3.015 225 T HA 0.263 4.622 4.350 0.015 0.000 0.250 225 T C 0.455 174.996 174.700 -0.264 0.000 1.057 225 T CA 0.034 62.018 62.100 -0.193 0.000 1.066 225 T CB 0.300 69.094 68.868 -0.123 0.000 0.959 225 T HN 0.567 nan 8.240 nan 0.000 0.488 226 K N 0.237 120.391 120.400 -0.410 0.000 2.523 226 K HA 0.536 4.865 4.320 0.015 0.000 0.257 226 K C -1.973 174.240 176.600 -0.645 0.000 0.932 226 K CA -0.799 55.151 56.287 -0.562 0.000 0.812 226 K CB 2.119 34.071 32.500 -0.913 0.000 1.326 226 K HN 0.098 nan 8.250 nan 0.000 0.433 227 Y N 0.366 120.462 120.300 -0.339 0.000 2.420 227 Y HA 0.409 4.967 4.550 0.015 0.000 0.334 227 Y C -0.325 175.451 175.900 -0.207 0.000 1.094 227 Y CA -0.499 57.513 58.100 -0.147 0.000 1.126 227 Y CB 1.463 39.917 38.460 -0.010 0.000 1.217 227 Y HN 0.335 nan 8.280 nan 0.000 0.462 228 W N 4.980 126.460 121.300 0.301 0.000 2.475 228 W HA 0.424 5.093 4.660 0.015 0.000 0.320 228 W C -1.227 175.495 176.519 0.338 0.000 1.022 228 W CA -0.991 56.518 57.345 0.273 0.000 1.240 228 W CB 1.881 31.501 29.460 0.266 0.000 1.328 228 W HN 0.367 nan 8.180 nan 0.000 0.439 229 M N 3.330 123.227 119.600 0.495 0.000 2.537 229 M HA 0.613 5.103 4.480 0.015 0.000 0.324 229 M C -0.131 176.421 176.300 0.420 0.000 1.187 229 M CA -0.810 54.749 55.300 0.430 0.000 0.993 229 M CB 1.968 34.751 32.600 0.305 0.000 1.666 229 M HN 0.385 nan 8.290 nan 0.000 0.461 230 R N 0.666 121.410 120.500 0.406 0.000 4.167 230 R HA 0.215 4.564 4.340 0.015 0.000 0.253 230 R C -1.752 174.779 176.300 0.384 0.000 1.057 230 R CA -0.333 55.955 56.100 0.313 0.000 1.305 230 R CB 1.533 31.929 30.300 0.161 0.000 1.245 230 R HN 0.583 nan 8.270 nan 0.000 0.550 231 V N 6.177 126.317 119.914 0.377 0.000 2.872 231 V HA -0.062 4.067 4.120 0.015 0.000 0.302 231 V C -1.003 175.204 176.094 0.187 0.000 1.166 231 V CA -0.092 62.425 62.300 0.363 0.000 1.298 231 V CB 1.124 33.099 31.823 0.253 0.000 0.894 231 V HN 0.700 nan 8.190 nan 0.000 0.509 232 P HA -0.067 nan 4.420 nan 0.000 0.219 232 P C 0.613 177.952 177.300 0.064 0.000 1.150 232 P CA 0.597 63.756 63.100 0.097 0.000 0.814 232 P CB 0.438 32.180 31.700 0.070 0.000 0.787 233 E N 0.541 120.777 120.200 0.060 0.000 3.194 233 E HA 0.034 4.394 4.350 0.015 0.000 0.343 233 E C 0.326 176.934 176.600 0.013 0.000 1.500 233 E CA 0.647 57.070 56.400 0.038 0.000 1.748 233 E CB -0.252 29.475 29.700 0.044 0.000 0.994 233 E HN 0.006 nan 8.360 nan 0.000 0.644 234 D N -0.365 120.039 120.400 0.007 0.000 2.462 234 D HA 0.161 4.810 4.640 0.015 0.000 0.245 234 D C -0.463 175.836 176.300 -0.001 0.000 1.122 234 D CA -0.411 53.584 54.000 -0.008 0.000 0.864 234 D CB 1.293 42.085 40.800 -0.014 0.000 1.098 234 D HN 0.231 nan 8.370 nan 0.000 0.541 235 V N 1.867 121.779 119.914 -0.003 0.000 3.427 235 V HA 0.620 4.749 4.120 0.015 0.000 0.305 235 V C 1.167 177.256 176.094 -0.008 0.000 1.412 235 V CA 0.655 62.957 62.300 0.003 0.000 1.086 235 V CB -0.327 31.506 31.823 0.016 0.000 0.964 235 V HN 0.693 nan 8.190 nan 0.000 0.439 236 G N 2.261 111.051 108.800 -0.018 0.000 2.509 236 G HA2 -0.263 3.706 3.960 0.015 0.000 0.256 236 G HA3 -0.263 3.706 3.960 0.015 0.000 0.256 236 G C 0.250 175.133 174.900 -0.028 0.000 1.152 236 G CA 0.236 45.323 45.100 -0.022 0.000 0.951 236 G HN 0.599 nan 8.290 nan 0.000 0.559 237 R N 0.775 121.258 120.500 -0.029 0.000 2.727 237 R HA 0.262 4.612 4.340 0.015 0.000 0.410 237 R C 0.218 176.461 176.300 -0.095 0.000 1.101 237 R CA -0.034 56.042 56.100 -0.040 0.000 1.045 237 R CB 0.200 30.494 30.300 -0.009 0.000 1.380 237 R HN 0.465 nan 8.270 nan 0.000 0.587 238 N N 1.805 120.455 118.700 -0.082 0.000 2.500 238 N HA 0.148 4.897 4.740 0.015 0.000 0.236 238 N C -1.916 173.520 175.510 -0.123 0.000 1.022 238 N CA -2.047 50.950 53.050 -0.087 0.000 0.935 238 N CB 1.139 39.608 38.487 -0.030 0.000 1.147 238 N HN -0.166 nan 8.380 nan 0.000 0.512 239 P HA -0.192 nan 4.420 nan 0.000 0.217 239 P C 0.354 177.675 177.300 0.034 0.000 1.148 239 P CA 1.255 64.144 63.100 -0.352 0.000 0.834 239 P CB 0.224 31.571 31.700 -0.588 0.000 0.783 240 E N -1.100 119.175 120.200 0.124 0.000 2.478 240 E HA -0.072 4.287 4.350 0.015 0.000 0.198 240 E C 1.343 177.999 176.600 0.093 0.000 1.046 240 E CA 0.478 56.984 56.400 0.177 0.000 0.870 240 E CB -0.060 29.727 29.700 0.144 0.000 0.818 240 E HN 0.289 nan 8.360 nan 0.000 0.527 241 R N -0.274 120.264 120.500 0.063 0.000 2.565 241 R HA 0.217 4.566 4.340 0.015 0.000 0.347 241 R C 1.456 177.791 176.300 0.058 0.000 1.010 241 R CA -0.119 56.006 56.100 0.042 0.000 1.126 241 R CB 0.563 30.880 30.300 0.029 0.000 1.331 241 R HN 0.085 nan 8.270 nan 0.000 0.552 242 L N 0.350 121.636 121.223 0.105 0.000 2.395 242 L HA 0.146 4.495 4.340 0.015 0.000 0.218 242 L C 0.526 177.500 176.870 0.173 0.000 1.130 242 L CA 0.985 55.912 54.840 0.145 0.000 0.826 242 L CB 0.162 42.297 42.059 0.128 0.000 0.941 242 L HN 0.058 nan 8.230 nan 0.000 0.451 243 L N -1.107 120.161 121.223 0.075 0.000 2.415 243 L HA 0.463 4.812 4.340 0.015 0.000 0.256 243 L C -2.420 174.287 176.870 -0.273 0.000 1.010 243 L CA -1.986 52.768 54.840 -0.144 0.000 0.826 243 L CB 2.532 44.448 42.059 -0.238 0.000 1.405 243 L HN -0.292 nan 8.230 nan 0.000 0.410 244 P HA 0.043 nan 4.420 nan 0.000 0.269 244 P C -1.327 175.617 177.300 -0.594 0.000 1.215 244 P CA -0.271 62.384 63.100 -0.742 0.000 0.780 244 P CB 0.725 31.442 31.700 -1.639 0.000 0.898 245 K N 3.357 123.494 120.400 -0.438 0.000 2.248 245 K HA 0.304 4.633 4.320 0.015 0.000 0.281 245 K C -2.035 174.370 176.600 -0.325 0.000 1.054 245 K CA -2.274 53.855 56.287 -0.263 0.000 0.903 245 K CB 0.321 32.757 32.500 -0.107 0.000 1.077 245 K HN 0.348 nan 8.250 nan 0.000 0.474 246 P HA 0.105 nan 4.420 nan 0.000 0.271 246 P C -2.583 174.281 177.300 -0.727 0.000 1.218 246 P CA -1.254 61.299 63.100 -0.911 0.000 0.780 246 P CB -0.002 30.621 31.700 -1.795 0.000 0.901 247 P HA -0.101 nan 4.420 nan 0.000 0.263 247 P C 0.923 178.090 177.300 -0.222 0.000 1.168 247 P CA 0.533 63.469 63.100 -0.273 0.000 0.759 247 P CB 0.144 31.790 31.700 -0.089 0.000 0.782 248 A N 3.315 126.105 122.820 -0.051 0.000 1.877 248 A HA -0.029 4.300 4.320 0.015 0.000 0.216 248 A C 0.976 178.646 177.584 0.145 0.000 1.186 248 A CA 2.178 54.246 52.037 0.051 0.000 0.620 248 A CB -0.964 18.072 19.000 0.059 0.000 0.822 248 A HN 0.642 nan 8.150 nan 0.000 0.443 249 T N -4.608 110.023 114.554 0.129 0.000 2.864 249 T HA 0.641 5.000 4.350 0.015 0.000 0.299 249 T C -1.268 173.519 174.700 0.146 0.000 1.166 249 T CA -0.715 61.473 62.100 0.146 0.000 1.007 249 T CB 1.574 70.499 68.868 0.094 0.000 1.219 249 T HN 0.206 nan 8.240 nan 0.000 0.506 250 L N 1.004 122.307 121.223 0.133 0.000 2.470 250 L HA 0.611 4.960 4.340 0.015 0.000 0.268 250 L C -1.360 175.557 176.870 0.077 0.000 0.964 250 L CA -0.785 54.130 54.840 0.124 0.000 0.839 250 L CB 1.875 44.025 42.059 0.152 0.000 1.276 250 L HN 0.762 nan 8.230 nan 0.000 0.403 251 L N 3.606 124.868 121.223 0.064 0.000 2.278 251 L HA 0.603 4.952 4.340 0.015 0.000 0.287 251 L C 0.369 177.262 176.870 0.038 0.000 1.072 251 L CA 0.325 55.190 54.840 0.042 0.000 0.819 251 L CB 1.190 43.269 42.059 0.033 0.000 1.176 251 L HN 0.802 nan 8.230 nan 0.000 0.435 252 T N 0.423 114.993 114.554 0.025 0.000 2.932 252 T HA 0.823 5.183 4.350 0.015 0.000 0.289 252 T C -0.380 174.318 174.700 -0.003 0.000 1.039 252 T CA -0.788 61.322 62.100 0.017 0.000 1.024 252 T CB 1.814 70.692 68.868 0.017 0.000 1.090 252 T HN 0.477 nan 8.240 nan 0.000 0.496 253 S N 0.555 116.245 115.700 -0.017 0.000 2.563 253 S HA 0.526 5.005 4.470 0.015 0.000 0.279 253 S C -1.111 173.457 174.600 -0.053 0.000 1.155 253 S CA -0.570 57.608 58.200 -0.036 0.000 0.928 253 S CB 1.723 64.901 63.200 -0.035 0.000 1.107 253 S HN 1.185 nan 8.310 nan 0.000 0.462 254 T N 3.799 118.312 114.554 -0.068 0.000 2.788 254 T HA 0.574 4.933 4.350 0.015 0.000 0.296 254 T C -0.566 174.049 174.700 -0.141 0.000 1.009 254 T CA -0.374 61.672 62.100 -0.091 0.000 0.949 254 T CB 0.357 69.179 68.868 -0.077 0.000 0.946 254 T HN 0.517 nan 8.240 nan 0.000 0.453 255 V N 5.757 125.563 119.914 -0.181 0.000 2.555 255 V HA 0.346 4.475 4.120 0.015 0.000 0.286 255 V C 1.084 176.855 176.094 -0.537 0.000 1.044 255 V CA -0.221 61.871 62.300 -0.346 0.000 1.026 255 V CB 1.273 32.896 31.823 -0.334 0.000 0.981 255 V HN 0.966 nan 8.190 nan 0.000 0.480 256 T N 5.373 119.541 114.554 -0.644 0.000 2.925 256 T HA 0.753 5.112 4.350 0.015 0.000 0.285 256 T C -0.957 173.190 174.700 -0.922 0.000 1.021 256 T CA -0.135 61.629 62.100 -0.560 0.000 1.042 256 T CB 0.611 69.319 68.868 -0.267 0.000 1.037 256 T HN 0.356 nan 8.240 nan 0.000 0.481 257 F N 1.431 121.201 119.950 -0.301 0.000 2.578 257 F HA 0.413 4.950 4.527 0.016 0.000 0.311 257 F C -0.118 175.493 175.800 -0.315 0.000 1.094 257 F CA -1.229 56.478 58.000 -0.488 0.000 0.923 257 F CB 1.612 39.905 39.000 -1.179 0.000 1.230 257 F HN 0.341 nan 8.300 nan 0.000 0.450 258 D N 1.646 122.018 120.400 -0.046 0.000 2.329 258 D HA 0.151 4.800 4.640 0.015 0.000 0.232 258 D C 0.323 176.697 176.300 0.122 0.000 1.088 258 D CA -0.389 53.643 54.000 0.054 0.000 0.835 258 D CB 0.749 41.581 40.800 0.052 0.000 1.078 258 D HN 0.516 nan 8.370 nan 0.000 0.495 259 W N 3.177 124.623 121.300 0.243 0.000 2.342 259 W HA -0.192 4.476 4.660 0.014 0.000 0.297 259 W C 2.330 178.941 176.519 0.153 0.000 1.213 259 W CA 1.017 58.513 57.345 0.252 0.000 1.251 259 W CB -0.096 29.484 29.460 0.200 0.000 1.136 259 W HN 0.623 nan 8.180 nan 0.000 0.526 260 A N 0.476 123.500 122.820 0.340 0.000 1.892 260 A HA -0.172 4.157 4.320 0.015 0.000 0.218 260 A C 2.210 179.899 177.584 0.175 0.000 1.188 260 A CA 2.200 54.363 52.037 0.210 0.000 0.631 260 A CB -1.561 17.525 19.000 0.144 0.000 0.822 260 A HN 0.345 nan 8.150 nan 0.000 0.447 261 G N -1.607 107.283 108.800 0.150 0.000 2.421 261 G HA2 0.109 4.078 3.960 0.015 0.000 0.217 261 G HA3 0.109 4.078 3.960 0.015 0.000 0.217 261 G C 0.756 175.738 174.900 0.137 0.000 1.143 261 G CA 0.779 45.946 45.100 0.111 0.000 0.784 261 G HN 0.415 nan 8.290 nan 0.000 0.541 262 M N 2.061 121.779 119.600 0.197 0.000 2.252 262 M HA 0.332 4.821 4.480 0.015 0.000 0.333 262 M C 0.583 177.052 176.300 0.281 0.000 1.111 262 M CA 0.396 55.840 55.300 0.239 0.000 1.140 262 M CB 0.846 33.655 32.600 0.348 0.000 1.538 262 M HN 0.204 nan 8.290 nan 0.000 0.448 263 T N -0.638 114.051 114.554 0.225 0.000 2.883 263 T HA 0.365 4.724 4.350 0.015 0.000 0.296 263 T C 0.614 175.299 174.700 -0.025 0.000 1.117 263 T CA -0.863 61.330 62.100 0.155 0.000 1.006 263 T CB 1.206 70.118 68.868 0.074 0.000 1.191 263 T HN 0.740 nan 8.240 nan 0.000 0.508 264 E N 0.427 120.435 120.200 -0.320 0.000 2.114 264 E HA -0.238 4.122 4.350 0.015 0.000 0.199 264 E C 2.148 178.592 176.600 -0.261 0.000 1.008 264 E CA 1.698 57.645 56.400 -0.756 0.000 0.810 264 E CB -0.420 28.961 29.700 -0.531 0.000 0.739 264 E HN 0.734 nan 8.360 nan 0.000 0.456 265 A N 1.097 123.850 122.820 -0.112 0.000 1.841 265 A HA -0.072 4.257 4.320 0.015 0.000 0.214 265 A C 2.422 179.992 177.584 -0.024 0.000 1.195 265 A CA 1.885 53.893 52.037 -0.047 0.000 0.611 265 A CB -0.948 18.037 19.000 -0.024 0.000 0.835 265 A HN 0.415 nan 8.150 nan 0.000 0.443 266 A N -1.051 121.768 122.820 -0.002 0.000 1.883 266 A HA -0.087 4.242 4.320 0.015 0.000 0.217 266 A C 2.081 179.662 177.584 -0.005 0.000 1.186 266 A CA 1.757 53.793 52.037 -0.001 0.000 0.624 266 A CB -0.884 18.128 19.000 0.020 0.000 0.822 266 A HN 0.712 nan 8.150 nan 0.000 0.444 267 F N 0.918 120.818 119.950 -0.084 0.000 2.043 267 F HA -0.243 4.293 4.527 0.014 0.000 0.297 267 F C 2.775 178.537 175.800 -0.062 0.000 1.118 267 F CA 2.245 60.222 58.000 -0.037 0.000 1.202 267 F CB -0.612 38.419 39.000 0.052 0.000 0.965 267 F HN 0.230 nan 8.300 nan 0.000 0.482 268 S N -0.316 115.406 115.700 0.036 0.000 2.370 268 S HA -0.269 4.210 4.470 0.015 0.000 0.226 268 S C 2.258 176.791 174.600 -0.111 0.000 1.033 268 S CA 1.550 59.728 58.200 -0.036 0.000 1.011 268 S CB -0.521 62.693 63.200 0.023 0.000 0.852 268 S HN 0.508 nan 8.310 nan 0.000 0.457 269 R N 0.186 120.633 120.500 -0.089 0.000 2.083 269 R HA -0.080 4.269 4.340 0.015 0.000 0.237 269 R C 2.291 178.522 176.300 -0.115 0.000 1.137 269 R CA 1.704 57.758 56.100 -0.078 0.000 0.951 269 R CB -0.675 29.593 30.300 -0.053 0.000 0.851 269 R HN 0.447 nan 8.270 nan 0.000 0.434 270 L N 0.500 121.608 121.223 -0.192 0.000 2.013 270 L HA -0.173 4.176 4.340 0.015 0.000 0.212 270 L C 1.864 178.601 176.870 -0.223 0.000 1.073 270 L CA 1.779 56.469 54.840 -0.250 0.000 0.753 270 L CB -0.459 41.335 42.059 -0.442 0.000 0.890 270 L HN 0.253 nan 8.230 nan 0.000 0.432 271 L N -0.946 120.091 121.223 -0.310 0.000 2.156 271 L HA -0.062 4.287 4.340 0.015 0.000 0.208 271 L C 2.639 179.485 176.870 -0.040 0.000 1.095 271 L CA 1.321 56.031 54.840 -0.216 0.000 0.770 271 L CB -0.675 41.180 42.059 -0.341 0.000 0.914 271 L HN 0.177 nan 8.230 nan 0.000 0.439 272 R N -0.177 120.295 120.500 -0.047 0.000 2.070 272 R HA -0.162 4.188 4.340 0.015 0.000 0.232 272 R C 2.084 178.407 176.300 0.039 0.000 1.138 272 R CA 1.950 58.054 56.100 0.006 0.000 0.936 272 R CB -0.648 29.648 30.300 -0.007 0.000 0.839 272 R HN 0.506 nan 8.270 nan 0.000 0.429 273 N N -0.457 118.255 118.700 0.020 0.000 2.049 273 N HA -0.291 4.459 4.740 0.015 0.000 0.198 273 N C 1.955 177.531 175.510 0.110 0.000 1.030 273 N CA 1.566 54.642 53.050 0.043 0.000 0.870 273 N CB -0.373 38.112 38.487 -0.004 0.000 1.045 273 N HN 0.369 nan 8.380 nan 0.000 0.434 274 H N 0.511 119.589 119.070 0.013 0.000 2.299 274 H HA -0.046 4.518 4.556 0.015 0.000 0.302 274 H C 2.176 177.656 175.328 0.252 0.000 1.078 274 H CA 1.962 58.061 56.048 0.086 0.000 1.323 274 H CB -0.506 29.245 29.762 -0.017 0.000 1.381 274 H HN 0.240 nan 8.280 nan 0.000 0.498 275 G N 1.083 110.020 108.800 0.229 0.000 2.446 275 G HA2 -0.304 3.665 3.960 0.015 0.000 0.217 275 G HA3 -0.304 3.665 3.960 0.015 0.000 0.217 275 G C 1.670 176.662 174.900 0.153 0.000 1.168 275 G CA 1.069 46.277 45.100 0.180 0.000 0.771 275 G HN 0.751 nan 8.290 nan 0.000 0.551 276 E N -0.961 119.312 120.200 0.122 0.000 2.107 276 E HA -0.164 4.195 4.350 0.015 0.000 0.191 276 E C 2.204 178.840 176.600 0.059 0.000 0.982 276 E CA 0.660 57.106 56.400 0.076 0.000 0.809 276 E CB -0.614 29.113 29.700 0.044 0.000 0.756 276 E HN 0.570 nan 8.360 nan 0.000 0.459 277 W N 1.380 122.632 121.300 -0.080 0.000 2.317 277 W HA -0.283 4.386 4.660 0.015 0.000 0.318 277 W C 1.883 178.283 176.519 -0.198 0.000 1.227 277 W CA 2.110 59.352 57.345 -0.171 0.000 1.269 277 W CB -0.495 28.811 29.460 -0.257 0.000 1.155 277 W HN 0.039 nan 8.180 nan 0.000 0.484 278 Y N 0.600 121.026 120.300 0.211 0.000 2.315 278 Y HA -0.243 4.316 4.550 0.016 0.000 0.288 278 Y C 2.400 178.269 175.900 -0.051 0.000 1.154 278 Y CA 2.153 60.317 58.100 0.107 0.000 1.229 278 Y CB -0.610 37.888 38.460 0.063 0.000 0.980 278 Y HN 0.107 nan 8.280 nan 0.000 0.540 279 E N -0.460 119.774 120.200 0.057 0.000 2.106 279 E HA -0.182 4.177 4.350 0.015 0.000 0.192 279 E C 2.128 178.664 176.600 -0.108 0.000 0.984 279 E CA 0.896 57.297 56.400 0.001 0.000 0.806 279 E CB -0.020 29.689 29.700 0.016 0.000 0.750 279 E HN 0.457 nan 8.360 nan 0.000 0.458 280 R N 0.039 120.391 120.500 -0.245 0.000 2.173 280 R HA 0.098 4.447 4.340 0.015 0.000 0.208 280 R C 0.680 176.736 176.300 -0.406 0.000 1.035 280 R CA 0.504 56.417 56.100 -0.311 0.000 1.004 280 R CB 0.267 30.349 30.300 -0.364 0.000 0.917 280 R HN 0.025 nan 8.270 nan 0.000 0.462 281 N N 0.054 118.369 118.700 -0.642 0.000 2.480 281 N HA 0.133 4.882 4.740 0.015 0.000 0.281 281 N C -0.578 174.708 175.510 -0.374 0.000 1.381 281 N CA 0.113 52.736 53.050 -0.713 0.000 0.903 281 N CB 1.713 39.162 38.487 -1.731 0.000 1.274 281 N HN -0.066 nan 8.380 nan 0.000 0.505 282 S N -0.875 114.724 115.700 -0.169 0.000 2.846 282 S HA 0.213 4.692 4.470 0.015 0.000 0.249 282 S C 0.937 175.539 174.600 0.002 0.000 1.028 282 S CA -0.606 57.588 58.200 -0.010 0.000 1.043 282 S CB 1.080 64.341 63.200 0.102 0.000 0.990 282 S HN 0.370 nan 8.310 nan 0.000 0.564 283 G N 2.571 111.355 108.800 -0.027 0.000 2.503 283 G HA2 0.373 4.342 3.960 0.015 0.000 0.257 283 G HA3 0.373 4.342 3.960 0.015 0.000 0.257 283 G C -1.810 173.088 174.900 -0.003 0.000 1.214 283 G CA -1.201 43.891 45.100 -0.014 0.000 0.839 283 G HN 0.023 nan 8.290 nan 0.000 0.559 284 P HA -0.080 nan 4.420 nan 0.000 0.217 284 P C 0.787 178.085 177.300 -0.003 0.000 1.148 284 P CA 1.146 64.245 63.100 -0.000 0.000 0.828 284 P CB 0.314 32.016 31.700 0.004 0.000 0.783 285 D N -1.788 118.610 120.400 -0.004 0.000 2.368 285 D HA 0.068 4.717 4.640 0.015 0.000 0.218 285 D C 0.356 176.650 176.300 -0.010 0.000 1.112 285 D CA 0.235 54.231 54.000 -0.007 0.000 0.834 285 D CB -0.050 40.746 40.800 -0.006 0.000 0.953 285 D HN 0.053 nan 8.370 nan 0.000 0.505 286 S N 1.490 117.189 115.700 -0.002 0.000 2.564 286 S HA 0.129 4.608 4.470 0.015 0.000 0.278 286 S C -1.626 172.973 174.600 -0.001 0.000 1.333 286 S CA -1.110 57.099 58.200 0.015 0.000 1.048 286 S CB 1.327 64.554 63.200 0.045 0.000 0.900 286 S HN -0.130 nan 8.310 nan 0.000 0.505 287 P HA 0.031 nan 4.420 nan 0.000 0.239 287 P C -0.441 176.704 177.300 -0.258 0.000 1.184 287 P CA 0.899 63.902 63.100 -0.161 0.000 0.760 287 P CB -0.059 31.498 31.700 -0.239 0.000 0.884 288 Y N -1.761 118.552 120.300 0.020 0.000 2.507 288 Y HA 0.057 4.617 4.550 0.016 0.000 0.254 288 Y C 1.987 177.923 175.900 0.060 0.000 1.171 288 Y CA 0.207 58.354 58.100 0.079 0.000 1.238 288 Y CB -0.854 37.714 38.460 0.180 0.000 1.148 288 Y HN -0.022 nan 8.280 nan 0.000 0.525 289 T N -3.591 111.032 114.554 0.116 0.000 2.946 289 T HA -0.142 4.217 4.350 0.015 0.000 0.271 289 T C 1.951 176.675 174.700 0.040 0.000 1.104 289 T CA 1.332 63.469 62.100 0.061 0.000 1.114 289 T CB -0.315 68.539 68.868 -0.023 0.000 0.867 289 T HN 0.452 nan 8.240 nan 0.000 0.513 290 G N 0.207 109.032 108.800 0.041 0.000 3.233 290 G HA2 0.462 4.431 3.960 0.015 0.000 0.234 290 G HA3 0.462 4.431 3.960 0.015 0.000 0.234 290 G C 0.066 175.035 174.900 0.115 0.000 1.137 290 G CA -0.530 44.586 45.100 0.028 0.000 0.763 290 G HN 0.558 nan 8.290 nan 0.000 0.549 291 L N 0.064 121.402 121.223 0.193 0.000 2.307 291 L HA 0.803 5.152 4.340 0.015 0.000 0.282 291 L C -1.178 175.884 176.870 0.320 0.000 1.051 291 L CA -1.291 53.678 54.840 0.214 0.000 0.804 291 L CB 1.596 43.797 42.059 0.236 0.000 1.197 291 L HN 0.138 nan 8.230 nan 0.000 0.431 292 W N 5.049 126.396 121.300 0.078 0.000 3.032 292 W HA 0.676 5.344 4.660 0.014 0.000 0.335 292 W C -1.220 175.359 176.519 0.099 0.000 1.154 292 W CA -0.202 57.233 57.345 0.151 0.000 1.204 292 W CB 1.967 31.527 29.460 0.167 0.000 1.416 292 W HN 0.697 nan 8.180 nan 0.000 0.521 293 S N 3.278 118.659 115.700 -0.531 0.000 2.671 293 S HA 0.663 5.142 4.470 0.015 0.000 0.277 293 S C -1.585 172.461 174.600 -0.923 0.000 1.165 293 S CA -1.046 56.771 58.200 -0.637 0.000 0.822 293 S CB 2.347 65.425 63.200 -0.202 0.000 1.150 293 S HN 0.570 nan 8.310 nan 0.000 0.479 294 Q N 0.705 120.117 119.800 -0.647 0.000 2.274 294 Q HA 0.422 4.771 4.340 0.015 0.000 0.268 294 Q C -1.644 174.155 176.000 -0.335 0.000 1.015 294 Q CA -0.425 55.072 55.803 -0.511 0.000 0.775 294 Q CB 2.341 30.718 28.738 -0.602 0.000 1.256 294 Q HN 0.701 nan 8.270 nan 0.000 0.442 295 L N 4.260 125.312 121.223 -0.284 0.000 2.283 295 L HA 0.405 4.755 4.340 0.015 0.000 0.287 295 L C -0.789 175.927 176.870 -0.257 0.000 1.073 295 L CA -0.059 54.613 54.840 -0.281 0.000 0.822 295 L CB 0.438 42.166 42.059 -0.553 0.000 1.186 295 L HN 0.631 nan 8.230 nan 0.000 0.436 296 M N 6.995 126.467 119.600 -0.213 0.000 2.036 296 M HA 0.377 4.866 4.480 0.015 0.000 0.337 296 M C -0.587 175.703 176.300 -0.017 0.000 1.012 296 M CA -0.119 55.012 55.300 -0.281 0.000 0.962 296 M CB 1.279 33.563 32.600 -0.527 0.000 1.423 296 M HN 0.430 nan 8.290 nan 0.000 0.405 297 I N 3.110 123.680 120.570 -0.001 0.000 2.395 297 I HA 0.449 4.628 4.170 0.015 0.000 0.282 297 I C 0.536 176.681 176.117 0.048 0.000 1.107 297 I CA -0.354 60.808 61.300 -0.231 0.000 1.210 297 I CB 0.285 38.176 38.000 -0.181 0.000 1.456 297 I HN 0.709 nan 8.210 nan 0.000 0.504 298 G N 3.909 112.801 108.800 0.155 0.000 2.605 298 G HA2 0.334 4.303 3.960 0.015 0.000 0.296 298 G HA3 0.334 4.303 3.960 0.015 0.000 0.296 298 G C -0.696 174.426 174.900 0.371 0.000 1.304 298 G CA -0.754 44.474 45.100 0.213 0.000 0.941 298 G HN 0.492 nan 8.290 nan 0.000 0.475 299 N N -0.182 118.577 118.700 0.098 0.000 2.453 299 N HA 0.102 4.852 4.740 0.015 0.000 0.253 299 N C -0.626 175.019 175.510 0.225 0.000 1.252 299 N CA -0.077 53.000 53.050 0.045 0.000 0.917 299 N CB 1.013 39.397 38.487 -0.172 0.000 1.117 299 N HN 0.442 nan 8.380 nan 0.000 0.442 300 E N 0.177 120.505 120.200 0.214 0.000 2.180 300 E HA 0.239 4.598 4.350 0.015 0.000 0.283 300 E C -0.574 176.111 176.600 0.142 0.000 1.061 300 E CA -0.564 55.961 56.400 0.209 0.000 0.861 300 E CB 0.830 30.648 29.700 0.196 0.000 1.056 300 E HN 0.309 nan 8.360 nan 0.000 0.407 301 V N 6.506 126.514 119.914 0.157 0.000 2.389 301 V HA 0.080 4.210 4.120 0.015 0.000 0.264 301 V C -1.433 174.700 176.094 0.066 0.000 1.049 301 V CA -1.282 61.081 62.300 0.105 0.000 0.932 301 V CB 1.127 33.008 31.823 0.096 0.000 1.011 301 V HN 0.661 nan 8.190 nan 0.000 0.475 302 P HA -0.041 nan 4.420 nan 0.000 0.216 302 P C 0.726 178.043 177.300 0.028 0.000 1.150 302 P CA 1.003 64.126 63.100 0.038 0.000 0.837 302 P CB 0.263 31.978 31.700 0.025 0.000 0.786 303 G N -0.385 108.426 108.800 0.018 0.000 2.605 303 G HA2 0.671 4.640 3.960 0.015 0.000 0.304 303 G HA3 0.671 4.640 3.960 0.015 0.000 0.304 303 G C -1.012 173.888 174.900 -0.000 0.000 1.333 303 G CA -0.253 44.852 45.100 0.008 0.000 0.973 303 G HN 0.064 nan 8.290 nan 0.000 0.507 304 M N 2.235 121.836 119.600 0.002 0.000 2.945 304 M HA 0.288 4.777 4.480 0.015 0.000 0.213 304 M C -1.021 175.282 176.300 0.005 0.000 0.731 304 M CA -0.483 54.810 55.300 -0.012 0.000 0.875 304 M CB 0.341 32.920 32.600 -0.036 0.000 1.575 304 M HN 0.845 nan 8.290 nan 0.000 0.604 305 G N 1.317 110.116 108.800 -0.001 0.000 2.462 305 G HA2 0.567 4.536 3.960 0.015 0.000 0.319 305 G HA3 0.567 4.536 3.960 0.015 0.000 0.319 305 G C 0.038 174.954 174.900 0.027 0.000 1.171 305 G CA 0.665 45.775 45.100 0.016 0.000 0.920 305 G HN 1.089 nan 8.290 nan 0.000 0.499 306 E N -1.673 118.558 120.200 0.053 0.000 3.628 306 E HA -0.211 4.148 4.350 0.015 0.000 0.309 306 E C 0.611 177.317 176.600 0.176 0.000 0.839 306 E CA 1.109 57.564 56.400 0.091 0.000 1.123 306 E CB -1.589 28.182 29.700 0.118 0.000 1.568 306 E HN 0.853 nan 8.360 nan 0.000 0.440 307 S N -1.101 114.698 115.700 0.165 0.000 2.681 307 S HA 0.888 5.368 4.470 0.015 0.000 0.299 307 S C 0.790 175.566 174.600 0.294 0.000 1.113 307 S CA 0.252 58.636 58.200 0.308 0.000 1.013 307 S CB 2.246 65.592 63.200 0.243 0.000 1.076 307 S HN 1.190 nan 8.310 nan 0.000 0.534 308 G N 0.716 109.742 108.800 0.377 0.000 2.500 308 G HA2 -0.061 3.908 3.960 0.015 0.000 0.209 308 G HA3 -0.061 3.908 3.960 0.015 0.000 0.209 308 G C -0.901 174.229 174.900 0.383 0.000 1.283 308 G CA -0.524 44.803 45.100 0.379 0.000 0.960 308 G HN 1.146 nan 8.290 nan 0.000 0.528 309 F N 2.251 122.297 119.950 0.159 0.000 2.293 309 F HA 0.674 5.211 4.527 0.016 0.000 0.370 309 F C 0.854 176.745 175.800 0.151 0.000 1.090 309 F CA -0.856 57.160 58.000 0.027 0.000 1.133 309 F CB 0.266 39.037 39.000 -0.382 0.000 1.360 309 F HN 0.686 nan 8.300 nan 0.000 0.489 310 M N 5.061 124.925 119.600 0.439 0.000 2.622 310 M HA 0.537 5.026 4.480 0.015 0.000 0.276 310 M C -1.605 174.787 176.300 0.154 0.000 1.265 310 M CA -1.031 54.397 55.300 0.212 0.000 0.850 310 M CB 2.967 35.603 32.600 0.060 0.000 1.720 310 M HN 0.473 nan 8.290 nan 0.000 0.465 311 M N 2.327 121.959 119.600 0.053 0.000 1.988 311 M HA 0.479 4.968 4.480 0.015 0.000 0.243 311 M C -2.851 173.401 176.300 -0.079 0.000 0.897 311 M CA -1.307 53.996 55.300 0.005 0.000 0.935 311 M CB 1.758 34.447 32.600 0.148 0.000 1.956 311 M HN 0.346 nan 8.290 nan 0.000 0.389 312 P HA 0.220 nan 4.420 nan 0.000 0.276 312 P C -1.240 175.973 177.300 -0.146 0.000 1.243 312 P CA -0.174 62.850 63.100 -0.125 0.000 0.768 312 P CB 0.632 32.248 31.700 -0.138 0.000 0.856 313 I N 3.756 124.273 120.570 -0.087 0.000 2.582 313 I HA 0.377 4.556 4.170 0.015 0.000 0.292 313 I C -1.251 174.864 176.117 -0.004 0.000 1.066 313 I CA -1.107 60.138 61.300 -0.090 0.000 1.053 313 I CB 2.151 40.059 38.000 -0.153 0.000 1.241 313 I HN 0.437 nan 8.210 nan 0.000 0.421 314 Q N 6.783 126.629 119.800 0.075 0.000 2.372 314 Q HA 0.670 5.020 4.340 0.015 0.000 0.273 314 Q C -2.153 173.920 176.000 0.122 0.000 1.078 314 Q CA -0.789 55.083 55.803 0.114 0.000 0.806 314 Q CB 3.027 31.871 28.738 0.177 0.000 1.332 314 Q HN 0.465 nan 8.270 nan 0.000 0.435 315 V N 1.702 121.669 119.914 0.089 0.000 2.604 315 V HA 0.226 4.356 4.120 0.015 0.000 0.305 315 V C -0.925 175.220 176.094 0.084 0.000 1.043 315 V CA -0.625 61.727 62.300 0.087 0.000 0.888 315 V CB 1.885 33.743 31.823 0.058 0.000 0.995 315 V HN 0.983 nan 8.190 nan 0.000 0.429 316 D N 4.913 125.360 120.400 0.077 0.000 2.570 316 D HA 0.058 4.707 4.640 0.015 0.000 0.243 316 D C 0.890 177.211 176.300 0.036 0.000 1.171 316 D CA 0.887 54.920 54.000 0.056 0.000 0.879 316 D CB 1.653 42.464 40.800 0.018 0.000 1.143 316 D HN 0.750 nan 8.370 nan 0.000 0.511 317 A N 3.469 126.316 122.820 0.046 0.000 2.208 317 A HA -0.041 4.288 4.320 0.015 0.000 0.209 317 A C 2.083 179.679 177.584 0.021 0.000 1.161 317 A CA 0.748 52.806 52.037 0.034 0.000 0.782 317 A CB -0.174 18.854 19.000 0.046 0.000 0.816 317 A HN 0.645 nan 8.150 nan 0.000 0.477 318 T N 0.632 115.196 114.554 0.015 0.000 2.624 318 T HA -0.164 4.196 4.350 0.015 0.000 0.268 318 T C 1.123 175.823 174.700 0.001 0.000 1.041 318 T CA 1.312 63.417 62.100 0.008 0.000 1.159 318 T CB -0.224 68.645 68.868 0.002 0.000 0.863 318 T HN 0.536 nan 8.240 nan 0.000 0.434 319 R N 1.603 122.099 120.500 -0.008 0.000 2.539 319 R HA 0.148 4.498 4.340 0.015 0.000 0.275 319 R C -1.599 174.696 176.300 -0.009 0.000 1.077 319 R CA -1.682 54.410 56.100 -0.013 0.000 1.097 319 R CB 0.339 30.623 30.300 -0.027 0.000 1.018 319 R HN 0.195 nan 8.270 nan 0.000 0.483 320 P HA -0.118 nan 4.420 nan 0.000 0.234 320 P C 0.022 177.318 177.300 -0.007 0.000 1.167 320 P CA 0.960 64.058 63.100 -0.004 0.000 0.763 320 P CB 0.165 31.863 31.700 -0.002 0.000 0.835 321 D N -0.550 119.839 120.400 -0.017 0.000 2.340 321 D HA 0.062 4.712 4.640 0.015 0.000 0.220 321 D C 1.633 177.916 176.300 -0.028 0.000 1.039 321 D CA 0.177 54.162 54.000 -0.024 0.000 0.866 321 D CB -0.559 40.218 40.800 -0.040 0.000 0.913 321 D HN 0.027 nan 8.370 nan 0.000 0.523 322 A N 1.230 124.038 122.820 -0.019 0.000 1.908 322 A HA -0.237 4.092 4.320 0.015 0.000 0.218 322 A C 2.333 179.921 177.584 0.007 0.000 1.181 322 A CA 1.763 53.794 52.037 -0.010 0.000 0.627 322 A CB -0.755 18.247 19.000 0.004 0.000 0.818 322 A HN 0.291 nan 8.150 nan 0.000 0.445 323 R N -0.727 119.779 120.500 0.010 0.000 2.081 323 R HA -0.103 4.246 4.340 0.015 0.000 0.235 323 R C 2.436 178.752 176.300 0.027 0.000 1.131 323 R CA 1.578 57.688 56.100 0.017 0.000 0.960 323 R CB -0.286 30.022 30.300 0.013 0.000 0.856 323 R HN 0.528 nan 8.270 nan 0.000 0.436 324 R N 0.313 120.826 120.500 0.021 0.000 2.081 324 R HA -0.083 4.266 4.340 0.015 0.000 0.235 324 R C 2.268 178.609 176.300 0.069 0.000 1.131 324 R CA 1.543 57.664 56.100 0.034 0.000 0.960 324 R CB -0.239 30.072 30.300 0.018 0.000 0.856 324 R HN 0.282 nan 8.270 nan 0.000 0.436 325 L N 0.574 121.824 121.223 0.045 0.000 2.131 325 L HA -0.193 4.156 4.340 0.015 0.000 0.210 325 L C 2.507 179.527 176.870 0.251 0.000 1.092 325 L CA 0.888 55.785 54.840 0.095 0.000 0.759 325 L CB -0.384 41.596 42.059 -0.132 0.000 0.903 325 L HN 0.325 nan 8.230 nan 0.000 0.435 326 L N -0.230 121.071 121.223 0.131 0.000 1.988 326 L HA -0.238 4.111 4.340 0.015 0.000 0.207 326 L C 2.248 179.184 176.870 0.110 0.000 1.071 326 L CA 1.607 56.508 54.840 0.102 0.000 0.744 326 L CB -0.272 41.814 42.059 0.045 0.000 0.893 326 L HN 0.268 nan 8.230 nan 0.000 0.433 327 D N 0.005 120.454 120.400 0.081 0.000 2.123 327 D HA -0.175 4.474 4.640 0.015 0.000 0.196 327 D C 2.147 178.491 176.300 0.073 0.000 0.992 327 D CA 1.402 55.435 54.000 0.056 0.000 0.833 327 D CB -0.150 40.673 40.800 0.038 0.000 0.954 327 D HN 0.454 nan 8.370 nan 0.000 0.455 328 A N 0.376 123.277 122.820 0.135 0.000 1.859 328 A HA -0.293 4.037 4.320 0.015 0.000 0.217 328 A C 2.099 179.772 177.584 0.148 0.000 1.198 328 A CA 2.358 54.505 52.037 0.184 0.000 0.629 328 A CB -1.234 17.952 19.000 0.310 0.000 0.830 328 A HN 0.465 nan 8.150 nan 0.000 0.446 329 H N -0.671 118.419 119.070 0.033 0.000 2.352 329 H HA -0.123 4.442 4.556 0.015 0.000 0.299 329 H C 1.797 176.905 175.328 -0.367 0.000 1.097 329 H CA 1.940 57.747 56.048 -0.402 0.000 1.311 329 H CB -0.075 29.340 29.762 -0.579 0.000 1.377 329 H HN 0.348 nan 8.280 nan 0.000 0.504 330 I N 1.211 121.736 120.570 -0.074 0.000 2.099 330 I HA -0.226 3.954 4.170 0.015 0.000 0.239 330 I C 2.297 178.329 176.117 -0.140 0.000 1.066 330 I CA 1.285 62.526 61.300 -0.099 0.000 1.324 330 I CB -1.279 36.703 38.000 -0.030 0.000 1.037 330 I HN 0.426 nan 8.210 nan 0.000 0.401 331 E N 0.891 121.046 120.200 -0.076 0.000 2.130 331 E HA -0.200 4.159 4.350 0.015 0.000 0.196 331 E C 2.288 178.851 176.600 -0.062 0.000 0.998 331 E CA 1.558 57.928 56.400 -0.051 0.000 0.806 331 E CB -0.346 29.347 29.700 -0.010 0.000 0.738 331 E HN 0.509 nan 8.360 nan 0.000 0.459 332 A N 0.835 123.603 122.820 -0.086 0.000 1.902 332 A HA -0.126 4.203 4.320 0.015 0.000 0.217 332 A C 2.623 180.140 177.584 -0.113 0.000 1.181 332 A CA 1.504 53.508 52.037 -0.054 0.000 0.623 332 A CB -0.575 18.458 19.000 0.054 0.000 0.818 332 A HN 0.148 nan 8.150 nan 0.000 0.443 333 V N 0.498 120.256 119.914 -0.259 0.000 2.379 333 V HA -0.182 3.947 4.120 0.015 0.000 0.245 333 V C 2.224 178.270 176.094 -0.081 0.000 1.044 333 V CA 1.835 64.010 62.300 -0.209 0.000 1.036 333 V CB -0.734 30.881 31.823 -0.347 0.000 0.664 333 V HN 0.757 nan 8.190 nan 0.000 0.453 334 I N -1.715 118.815 120.570 -0.065 0.000 3.812 334 I HA 0.245 4.424 4.170 0.015 0.000 0.320 334 I C 0.539 176.642 176.117 -0.024 0.000 1.276 334 I CA 0.008 61.301 61.300 -0.012 0.000 1.164 334 I CB -0.292 37.694 38.000 -0.022 0.000 1.009 334 I HN 0.070 nan 8.210 nan 0.000 0.431 335 D N 2.711 123.092 120.400 -0.032 0.000 2.346 335 D HA 0.310 4.960 4.640 0.015 0.000 0.267 335 D C 1.316 177.605 176.300 -0.019 0.000 1.320 335 D CA 1.200 55.186 54.000 -0.022 0.000 0.951 335 D CB 0.036 40.827 40.800 -0.015 0.000 1.079 335 D HN 0.575 nan 8.370 nan 0.000 0.509 336 G N 2.660 111.450 108.800 -0.017 0.000 2.130 336 G HA2 -0.174 3.795 3.960 0.015 0.000 0.216 336 G HA3 -0.174 3.795 3.960 0.015 0.000 0.216 336 G C 0.000 174.890 174.900 -0.018 0.000 0.999 336 G CA 0.048 45.139 45.100 -0.016 0.000 0.686 336 G HN 0.573 nan 8.290 nan 0.000 0.515 337 V N 0.389 120.293 119.914 -0.016 0.000 2.315 337 V HA 0.273 4.402 4.120 0.015 0.000 0.265 337 V C -0.500 175.594 176.094 -0.001 0.000 1.019 337 V CA -0.703 61.591 62.300 -0.010 0.000 0.824 337 V CB 1.397 33.216 31.823 -0.008 0.000 1.072 337 V HN 0.072 nan 8.190 nan 0.000 0.448 338 P HA -0.120 nan 4.420 nan 0.000 0.216 338 P C -1.004 176.285 177.300 -0.019 0.000 1.157 338 P CA 1.457 64.550 63.100 -0.011 0.000 0.880 338 P CB -0.701 30.998 31.700 -0.003 0.000 0.791 339 P HA 0.063 nan 4.420 nan 0.000 0.244 339 P C -0.169 177.084 177.300 -0.079 0.000 1.211 339 P CA 0.637 63.725 63.100 -0.019 0.000 0.760 339 P CB -0.334 31.367 31.700 0.003 0.000 0.961 340 A N 0.478 123.233 122.820 -0.109 0.000 2.289 340 A HA 0.351 4.681 4.320 0.015 0.000 0.298 340 A C 0.259 177.672 177.584 -0.285 0.000 1.208 340 A CA -0.283 51.552 52.037 -0.337 0.000 0.845 340 A CB 0.470 19.298 19.000 -0.286 0.000 1.125 340 A HN -0.090 nan 8.150 nan 0.000 0.517 341 E N 1.306 121.301 120.200 -0.340 0.000 2.183 341 E HA 0.394 4.753 4.350 0.015 0.000 0.271 341 E C -1.386 175.059 176.600 -0.258 0.000 0.919 341 E CA -0.437 55.820 56.400 -0.239 0.000 0.781 341 E CB 2.036 31.639 29.700 -0.163 0.000 1.140 341 E HN 0.432 nan 8.360 nan 0.000 0.402 342 V N 6.086 125.892 119.914 -0.181 0.000 2.304 342 V HA 0.381 4.510 4.120 0.015 0.000 0.278 342 V C -2.234 173.797 176.094 -0.105 0.000 1.018 342 V CA -1.634 60.575 62.300 -0.152 0.000 0.814 342 V CB 1.229 32.976 31.823 -0.128 0.000 1.021 342 V HN 0.517 nan 8.190 nan 0.000 0.440 343 P HA 0.332 nan 4.420 nan 0.000 0.279 343 P C -0.417 176.852 177.300 -0.052 0.000 1.282 343 P CA -0.436 62.622 63.100 -0.070 0.000 0.788 343 P CB 0.702 32.361 31.700 -0.068 0.000 1.139 344 E N 0.845 121.022 120.200 -0.039 0.000 2.417 344 E HA 0.137 4.496 4.350 0.015 0.000 0.261 344 E C -1.845 174.741 176.600 -0.024 0.000 1.000 344 E CA -1.229 55.154 56.400 -0.028 0.000 0.919 344 E CB -0.569 29.119 29.700 -0.021 0.000 0.955 344 E HN 0.269 nan 8.360 nan 0.000 0.455 345 P HA 0.131 nan 4.420 nan 0.000 0.269 345 P C -0.412 176.884 177.300 -0.007 0.000 1.217 345 P CA 0.231 63.324 63.100 -0.012 0.000 0.783 345 P CB 0.495 32.193 31.700 -0.004 0.000 0.898 346 I N 0.493 121.062 120.570 -0.003 0.000 2.533 346 I HA 0.242 4.421 4.170 0.015 0.000 0.290 346 I C 0.275 176.398 176.117 0.010 0.000 1.056 346 I CA -0.694 60.607 61.300 0.001 0.000 1.057 346 I CB 2.100 40.097 38.000 -0.004 0.000 1.240 346 I HN 0.258 nan 8.210 nan 0.000 0.423 347 E N 5.004 125.213 120.200 0.015 0.000 2.194 347 E HA 0.255 4.614 4.350 0.015 0.000 0.284 347 E C -0.935 175.681 176.600 0.027 0.000 1.035 347 E CA -0.442 55.974 56.400 0.026 0.000 0.836 347 E CB 1.043 30.759 29.700 0.028 0.000 1.070 347 E HN 0.379 nan 8.360 nan 0.000 0.401 348 Q N 3.005 122.826 119.800 0.035 0.000 2.316 348 Q HA 0.299 4.648 4.340 0.015 0.000 0.264 348 Q C -0.938 175.093 176.000 0.052 0.000 0.987 348 Q CA -0.613 55.206 55.803 0.025 0.000 0.852 348 Q CB 1.225 29.966 28.738 0.005 0.000 1.287 348 Q HN 0.422 nan 8.270 nan 0.000 0.448 349 R N 1.654 122.184 120.500 0.050 0.000 2.539 349 R HA 0.108 4.457 4.340 0.015 0.000 0.275 349 R C -0.383 175.968 176.300 0.084 0.000 1.077 349 R CA -0.426 55.732 56.100 0.097 0.000 1.097 349 R CB 0.570 30.929 30.300 0.098 0.000 1.018 349 R HN 0.651 nan 8.270 nan 0.000 0.483 350 W N 5.354 126.608 121.300 -0.076 0.000 2.417 350 W HA -0.097 4.572 4.660 0.015 0.000 0.332 350 W C 0.192 176.576 176.519 -0.226 0.000 1.413 350 W CA 0.554 57.771 57.345 -0.213 0.000 1.299 350 W CB 0.194 29.419 29.460 -0.391 0.000 1.304 350 W HN 0.655 nan 8.180 nan 0.000 0.565 351 L N 4.266 125.068 121.223 -0.702 0.000 4.040 351 L HA -0.384 3.965 4.340 0.015 0.000 0.410 351 L C 1.671 178.444 176.870 -0.163 0.000 1.187 351 L CA 0.470 55.041 54.840 -0.448 0.000 0.956 351 L CB -1.911 39.942 42.059 -0.343 0.000 2.022 351 L HN 0.649 nan 8.230 nan 0.000 0.897 352 A N -0.757 121.988 122.820 -0.125 0.000 1.841 352 A HA -0.103 4.226 4.320 0.015 0.000 0.216 352 A C 1.346 178.906 177.584 -0.040 0.000 1.199 352 A CA 2.176 54.188 52.037 -0.042 0.000 0.621 352 A CB -0.097 18.886 19.000 -0.029 0.000 0.835 352 A HN 0.427 nan 8.150 nan 0.000 0.445 353 S N -0.148 115.514 115.700 -0.063 0.000 2.669 353 S HA 0.458 4.937 4.470 0.015 0.000 0.315 353 S C -0.050 174.514 174.600 -0.060 0.000 1.106 353 S CA -0.053 58.119 58.200 -0.046 0.000 1.107 353 S CB 0.253 63.433 63.200 -0.033 0.000 0.990 353 S HN 0.760 nan 8.310 nan 0.000 0.471 354 T N 3.362 117.888 114.554 -0.048 0.000 2.930 354 T HA 0.341 4.700 4.350 0.015 0.000 0.306 354 T C -2.401 172.277 174.700 -0.037 0.000 1.045 354 T CA -1.086 60.985 62.100 -0.048 0.000 1.134 354 T CB -0.389 68.462 68.868 -0.028 0.000 0.961 354 T HN 0.439 nan 8.240 nan 0.000 0.545 355 P HA 0.125 nan 4.420 nan 0.000 0.245 355 P C 0.677 177.967 177.300 -0.018 0.000 1.123 355 P CA 0.363 63.448 63.100 -0.025 0.000 0.853 355 P CB -0.451 31.234 31.700 -0.024 0.000 0.786 356 G N 3.576 112.367 108.800 -0.016 0.000 3.316 356 G HA2 0.211 4.180 3.960 0.015 0.000 0.255 356 G HA3 0.211 4.180 3.960 0.015 0.000 0.255 356 G C 0.378 175.271 174.900 -0.012 0.000 0.880 356 G CA -0.084 45.008 45.100 -0.013 0.000 1.956 356 G HN 0.462 nan 8.290 nan 0.000 0.634 357 R N -1.240 119.254 120.500 -0.011 0.000 2.944 357 R HA 0.509 4.859 4.340 0.015 0.000 0.270 357 R C 0.239 176.534 176.300 -0.008 0.000 0.989 357 R CA -0.030 56.064 56.100 -0.011 0.000 0.853 357 R CB 0.185 30.479 30.300 -0.010 0.000 1.430 357 R HN 0.354 nan 8.270 nan 0.000 0.450 358 G N -0.618 108.177 108.800 -0.008 0.000 4.276 358 G HA2 0.099 4.069 3.960 0.015 0.000 0.178 358 G HA3 0.099 4.069 3.960 0.015 0.000 0.178 358 G C 0.293 175.186 174.900 -0.013 0.000 0.785 358 G CA 0.242 45.341 45.100 -0.002 0.000 0.853 358 G HN 0.782 nan 8.290 nan 0.000 0.428 359 G N 0.138 108.921 108.800 -0.028 0.000 2.590 359 G HA2 0.354 4.324 3.960 0.015 0.000 0.276 359 G HA3 0.354 4.324 3.960 0.015 0.000 0.276 359 G C 0.017 174.876 174.900 -0.068 0.000 1.337 359 G CA -0.360 44.713 45.100 -0.046 0.000 1.030 359 G HN 0.394 nan 8.290 nan 0.000 0.534 360 R N -0.051 120.398 120.500 -0.084 0.000 2.288 360 R HA 0.355 4.704 4.340 0.015 0.000 0.330 360 R C 0.927 177.154 176.300 -0.122 0.000 1.069 360 R CA 0.238 56.269 56.100 -0.115 0.000 0.941 360 R CB -0.135 30.095 30.300 -0.116 0.000 0.998 360 R HN 0.555 nan 8.270 nan 0.000 0.452 361 G N 4.629 113.347 108.800 -0.137 0.000 2.616 361 G HA2 0.280 4.249 3.960 0.015 0.000 0.268 361 G HA3 0.280 4.249 3.960 0.015 0.000 0.268 361 G C -2.180 172.597 174.900 -0.206 0.000 1.213 361 G CA -1.011 44.002 45.100 -0.146 0.000 0.926 361 G HN 0.503 nan 8.290 nan 0.000 0.523 362 P HA 0.380 nan 4.420 nan 0.000 0.277 362 P C -0.109 176.899 177.300 -0.486 0.000 1.271 362 P CA -0.253 62.645 63.100 -0.337 0.000 0.795 362 P CB 0.686 32.188 31.700 -0.331 0.000 1.101 363 A N 0.926 123.314 122.820 -0.720 0.000 2.498 363 A HA 0.461 4.790 4.320 0.015 0.000 0.239 363 A C 0.474 177.250 177.584 -1.345 0.000 1.068 363 A CA 0.527 51.933 52.037 -1.051 0.000 0.766 363 A CB -0.889 17.326 19.000 -1.309 0.000 1.003 363 A HN 0.677 nan 8.150 nan 0.000 0.497 364 S N 0.795 115.909 115.700 -0.977 0.000 2.537 364 S HA 0.653 5.132 4.470 0.015 0.000 0.271 364 S C -1.076 173.419 174.600 -0.174 0.000 1.148 364 S CA -0.999 56.847 58.200 -0.590 0.000 0.868 364 S CB 1.546 64.577 63.200 -0.282 0.000 1.115 364 S HN 0.863 nan 8.310 nan 0.000 0.461 365 K N 0.966 121.438 120.400 0.120 0.000 2.292 365 K HA 0.750 5.079 4.320 0.015 0.000 0.257 365 K C -1.259 175.314 176.600 -0.045 0.000 0.940 365 K CA -0.021 56.331 56.287 0.110 0.000 0.811 365 K CB 1.757 34.400 32.500 0.239 0.000 1.120 365 K HN 0.777 nan 8.250 nan 0.000 0.428 366 T N 4.190 118.615 114.554 -0.215 0.000 2.841 366 T HA 0.487 4.846 4.350 0.015 0.000 0.285 366 T C -1.027 173.503 174.700 -0.284 0.000 0.991 366 T CA -0.842 61.036 62.100 -0.370 0.000 0.966 366 T CB 1.029 69.389 68.868 -0.846 0.000 0.962 366 T HN 0.467 nan 8.240 nan 0.000 0.438 367 K N 1.341 121.627 120.400 -0.190 0.000 2.267 367 K HA 0.894 5.223 4.320 0.015 0.000 0.246 367 K C -0.828 175.834 176.600 0.103 0.000 0.954 367 K CA -0.935 55.228 56.287 -0.207 0.000 0.824 367 K CB 2.333 34.456 32.500 -0.629 0.000 1.167 367 K HN 0.668 nan 8.250 nan 0.000 0.431 368 A N 0.580 123.545 122.820 0.243 0.000 2.556 368 A HA 0.904 5.233 4.320 0.015 0.000 0.294 368 A C -1.034 176.826 177.584 0.461 0.000 1.091 368 A CA -0.638 51.620 52.037 0.369 0.000 0.704 368 A CB 2.079 21.277 19.000 0.330 0.000 1.300 368 A HN 0.729 nan 8.150 nan 0.000 0.406 369 G N -0.804 108.207 108.800 0.351 0.000 2.698 369 G HA2 0.557 4.526 3.960 0.015 0.000 0.293 369 G HA3 0.557 4.526 3.960 0.015 0.000 0.293 369 G C -1.822 173.151 174.900 0.122 0.000 1.437 369 G CA -0.440 44.803 45.100 0.238 0.000 0.852 369 G HN 0.526 nan 8.290 nan 0.000 0.499 370 Y N -0.399 119.965 120.300 0.108 0.000 2.335 370 Y HA 0.649 5.207 4.550 0.014 0.000 0.323 370 Y C 0.622 176.587 175.900 0.108 0.000 1.224 370 Y CA -0.291 57.855 58.100 0.077 0.000 1.241 370 Y CB 1.753 40.243 38.460 0.050 0.000 1.235 370 Y HN 0.213 nan 8.280 nan 0.000 0.492 371 L N 3.567 124.963 121.223 0.287 0.000 2.349 371 L HA 0.484 4.834 4.340 0.015 0.000 0.278 371 L C 0.484 177.482 176.870 0.213 0.000 0.996 371 L CA -0.615 54.359 54.840 0.224 0.000 0.825 371 L CB 2.004 44.172 42.059 0.182 0.000 1.243 371 L HN 0.705 nan 8.230 nan 0.000 0.412 372 R N 0.974 121.574 120.500 0.168 0.000 2.173 372 R HA 0.188 4.537 4.340 0.015 0.000 0.208 372 R C 0.116 176.488 176.300 0.119 0.000 1.035 372 R CA 0.510 56.691 56.100 0.135 0.000 1.004 372 R CB 0.298 30.657 30.300 0.098 0.000 0.917 372 R HN 0.439 nan 8.270 nan 0.000 0.462 373 K N 0.715 121.184 120.400 0.116 0.000 2.399 373 K HA 0.280 4.609 4.320 0.015 0.000 0.260 373 K C -0.661 176.006 176.600 0.112 0.000 1.049 373 K CA -0.990 55.358 56.287 0.101 0.000 0.890 373 K CB 1.646 34.191 32.500 0.077 0.000 1.430 373 K HN -0.023 nan 8.250 nan 0.000 0.459 374 R N 0.177 120.737 120.500 0.100 0.000 2.774 374 R HA 0.234 4.584 4.340 0.015 0.000 0.269 374 R C -0.089 176.268 176.300 0.094 0.000 1.068 374 R CA -0.403 55.759 56.100 0.104 0.000 1.180 374 R CB -0.030 30.328 30.300 0.095 0.000 1.077 374 R HN 0.390 nan 8.270 nan 0.000 0.513 375 L N 2.365 123.642 121.223 0.090 0.000 2.455 375 L HA 0.072 4.421 4.340 0.015 0.000 0.272 375 L C 0.839 177.741 176.870 0.053 0.000 1.174 375 L CA -0.130 54.752 54.840 0.071 0.000 0.869 375 L CB 0.710 42.806 42.059 0.062 0.000 1.130 375 L HN 0.942 nan 8.230 nan 0.000 0.474 376 T N -1.469 113.110 114.554 0.042 0.000 2.734 376 T HA -0.016 4.344 4.350 0.015 0.000 0.314 376 T C 0.677 175.395 174.700 0.031 0.000 1.057 376 T CA -0.392 61.728 62.100 0.033 0.000 1.047 376 T CB 0.653 69.536 68.868 0.026 0.000 0.991 376 T HN 0.594 nan 8.240 nan 0.000 0.540 377 D N -0.009 120.408 120.400 0.028 0.000 2.224 377 D HA -0.027 4.622 4.640 0.015 0.000 0.205 377 D C 2.367 178.691 176.300 0.040 0.000 0.965 377 D CA 1.039 55.059 54.000 0.034 0.000 0.852 377 D CB -0.061 40.755 40.800 0.026 0.000 0.947 377 D HN 0.757 nan 8.370 nan 0.000 0.494 378 R N 0.534 121.048 120.500 0.023 0.000 2.153 378 R HA 0.012 4.362 4.340 0.015 0.000 0.218 378 R C 1.832 178.135 176.300 0.005 0.000 1.072 378 R CA 0.819 56.928 56.100 0.016 0.000 0.990 378 R CB -0.325 29.975 30.300 0.000 0.000 0.889 378 R HN 0.165 nan 8.270 nan 0.000 0.452 379 Q N 1.046 120.842 119.800 -0.006 0.000 2.046 379 Q HA -0.059 4.290 4.340 0.015 0.000 0.200 379 Q C 2.206 178.230 176.000 0.041 0.000 0.975 379 Q CA 1.850 57.631 55.803 -0.036 0.000 0.836 379 Q CB -0.171 28.531 28.738 -0.060 0.000 0.896 379 Q HN 0.389 nan 8.270 nan 0.000 0.428 380 I N 0.617 121.243 120.570 0.093 0.000 2.151 380 I HA -0.372 3.807 4.170 0.015 0.000 0.243 380 I C 2.618 178.914 176.117 0.298 0.000 1.080 380 I CA 1.479 62.905 61.300 0.210 0.000 1.339 380 I CB -0.333 37.754 38.000 0.146 0.000 1.039 380 I HN 0.335 nan 8.210 nan 0.000 0.409 381 Q N 0.643 120.549 119.800 0.176 0.000 2.084 381 Q HA -0.211 4.138 4.340 0.015 0.000 0.202 381 Q C 2.348 178.432 176.000 0.140 0.000 0.978 381 Q CA 1.946 57.848 55.803 0.165 0.000 0.844 381 Q CB -0.120 28.672 28.738 0.091 0.000 0.898 381 Q HN 0.565 nan 8.270 nan 0.000 0.426 382 A N -0.343 122.512 122.820 0.059 0.000 1.902 382 A HA -0.149 4.180 4.320 0.015 0.000 0.217 382 A C 2.212 179.789 177.584 -0.011 0.000 1.181 382 A CA 1.491 53.522 52.037 -0.011 0.000 0.623 382 A CB -0.818 18.132 19.000 -0.084 0.000 0.818 382 A HN 0.300 nan 8.150 nan 0.000 0.443 383 V N -1.405 118.547 119.914 0.063 0.000 2.255 383 V HA -0.332 3.797 4.120 0.015 0.000 0.247 383 V C 2.334 178.435 176.094 0.011 0.000 1.051 383 V CA 2.315 64.681 62.300 0.110 0.000 1.018 383 V CB -1.044 30.954 31.823 0.292 0.000 0.641 383 V HN 0.723 nan 8.190 nan 0.000 0.445 384 Y N 1.096 121.292 120.300 -0.174 0.000 2.151 384 Y HA -0.333 4.226 4.550 0.015 0.000 0.284 384 Y C 2.618 178.377 175.900 -0.235 0.000 1.166 384 Y CA 2.402 60.185 58.100 -0.529 0.000 1.163 384 Y CB -0.044 38.124 38.460 -0.488 0.000 0.974 384 Y HN 0.405 nan 8.280 nan 0.000 0.511 385 E N 0.286 120.429 120.200 -0.096 0.000 2.047 385 E HA -0.186 4.173 4.350 0.015 0.000 0.191 385 E C 1.701 178.289 176.600 -0.020 0.000 0.987 385 E CA 2.017 58.391 56.400 -0.042 0.000 0.799 385 E CB -0.499 29.218 29.700 0.029 0.000 0.752 385 E HN 0.532 nan 8.360 nan 0.000 0.449 386 N N -0.288 118.363 118.700 -0.082 0.000 2.216 386 N HA -0.094 4.655 4.740 0.015 0.000 0.183 386 N C 1.459 177.029 175.510 0.100 0.000 1.017 386 N CA 1.114 54.132 53.050 -0.053 0.000 0.861 386 N CB -0.114 38.191 38.487 -0.305 0.000 0.986 386 N HN 0.265 nan 8.380 nan 0.000 0.428 387 M N 0.845 120.412 119.600 -0.055 0.000 2.539 387 M HA -0.045 4.444 4.480 0.015 0.000 0.261 387 M C 1.562 177.558 176.300 -0.507 0.000 1.069 387 M CA 1.126 56.320 55.300 -0.178 0.000 1.081 387 M CB -1.229 31.253 32.600 -0.196 0.000 1.412 387 M HN 0.184 nan 8.290 nan 0.000 0.482 388 T N -4.910 109.335 114.554 -0.515 0.000 3.044 388 T HA 0.135 4.494 4.350 0.015 0.000 0.260 388 T C 0.162 174.496 174.700 -0.611 0.000 1.019 388 T CA -0.156 61.558 62.100 -0.644 0.000 0.921 388 T CB -0.338 68.064 68.868 -0.776 0.000 1.053 388 T HN 0.354 nan 8.240 nan 0.000 0.533 389 H N 2.301 121.266 119.070 -0.175 0.000 2.348 389 H HA 0.467 5.033 4.556 0.016 0.000 0.232 389 H C 0.034 175.375 175.328 0.022 0.000 1.419 389 H CA -0.592 55.408 56.048 -0.079 0.000 1.416 389 H CB 0.397 30.126 29.762 -0.054 0.000 1.510 389 H HN 0.378 nan 8.280 nan 0.000 0.507 390 M N -0.796 118.758 119.600 -0.077 0.000 3.287 390 M HA 0.426 4.915 4.480 0.015 0.000 0.336 390 M C -1.430 174.696 176.300 -0.291 0.000 1.573 390 M CA -0.729 54.415 55.300 -0.259 0.000 0.609 390 M CB 0.832 33.102 32.600 -0.551 0.000 1.421 390 M HN -0.019 nan 8.290 nan 0.000 0.476 391 D N 1.992 122.288 120.400 -0.173 0.000 2.348 391 D HA 0.426 5.075 4.640 0.015 0.000 0.253 391 D C 1.347 177.532 176.300 -0.191 0.000 1.161 391 D CA 1.391 55.297 54.000 -0.156 0.000 0.876 391 D CB 1.523 42.269 40.800 -0.091 0.000 1.160 391 D HN 0.856 nan 8.370 nan 0.000 0.459 392 G N 2.356 111.046 108.800 -0.183 0.000 2.162 392 G HA2 -0.289 3.680 3.960 0.015 0.000 0.260 392 G HA3 -0.289 3.680 3.960 0.015 0.000 0.260 392 G C 0.289 175.010 174.900 -0.298 0.000 0.976 392 G CA -0.238 44.755 45.100 -0.180 0.000 0.655 392 G HN 0.476 nan 8.290 nan 0.000 0.533 393 I N 2.055 122.383 120.570 -0.403 0.000 2.291 393 I HA 0.318 4.497 4.170 0.015 0.000 0.290 393 I C 1.067 177.089 176.117 -0.158 0.000 1.050 393 I CA -0.691 60.287 61.300 -0.536 0.000 1.245 393 I CB 1.259 38.708 38.000 -0.920 0.000 1.405 393 I HN -0.036 nan 8.210 nan 0.000 0.478 394 D N 4.412 124.946 120.400 0.223 0.000 2.106 394 D HA -0.237 4.412 4.640 0.015 0.000 0.191 394 D C 0.057 176.457 176.300 0.167 0.000 0.997 394 D CA 2.036 56.147 54.000 0.185 0.000 0.834 394 D CB -0.039 40.900 40.800 0.232 0.000 0.956 394 D HN 0.439 nan 8.370 nan 0.000 0.448 395 Y N -0.626 119.693 120.300 0.031 0.000 2.470 395 Y HA 0.512 5.071 4.550 0.015 0.000 0.341 395 Y C -0.562 175.268 175.900 -0.116 0.000 1.021 395 Y CA -0.622 57.455 58.100 -0.038 0.000 1.025 395 Y CB 2.243 40.705 38.460 0.004 0.000 1.266 395 Y HN -0.034 nan 8.280 nan 0.000 0.448 396 G N 2.471 110.749 108.800 -0.870 0.000 2.746 396 G HA2 0.811 4.780 3.960 0.015 0.000 0.297 396 G HA3 0.811 4.780 3.960 0.015 0.000 0.297 396 G C -2.178 172.368 174.900 -0.590 0.000 1.426 396 G CA -0.340 44.284 45.100 -0.793 0.000 0.989 396 G HN 1.193 nan 8.290 nan 0.000 0.520 397 A N 0.393 123.105 122.820 -0.180 0.000 2.594 397 A HA 0.749 5.078 4.320 0.015 0.000 0.296 397 A C -1.528 176.121 177.584 0.110 0.000 1.061 397 A CA -0.498 51.521 52.037 -0.031 0.000 0.689 397 A CB 1.707 20.671 19.000 -0.060 0.000 1.280 397 A HN 1.447 nan 8.150 nan 0.000 0.406 398 V N 1.695 121.713 119.914 0.174 0.000 2.417 398 V HA 0.557 4.687 4.120 0.015 0.000 0.291 398 V C -1.216 175.032 176.094 0.256 0.000 1.024 398 V CA -0.283 62.066 62.300 0.080 0.000 0.861 398 V CB 1.253 33.110 31.823 0.057 0.000 0.985 398 V HN 0.775 nan 8.190 nan 0.000 0.436 399 W N 5.446 126.642 121.300 -0.174 0.000 2.532 399 W HA 0.714 5.383 4.660 0.016 0.000 0.321 399 W C -0.798 175.621 176.519 -0.166 0.000 1.037 399 W CA -1.392 55.875 57.345 -0.129 0.000 1.220 399 W CB 1.358 30.781 29.460 -0.061 0.000 1.361 399 W HN 0.292 nan 8.180 nan 0.000 0.468 400 L N 6.080 127.309 121.223 0.009 0.000 2.276 400 L HA 0.429 4.778 4.340 0.015 0.000 0.286 400 L C -0.197 176.644 176.870 -0.049 0.000 1.024 400 L CA -0.427 54.386 54.840 -0.045 0.000 0.826 400 L CB 0.477 42.462 42.059 -0.123 0.000 1.211 400 L HN 0.113 nan 8.230 nan 0.000 0.422 401 I N 2.438 123.035 120.570 0.045 0.000 2.321 401 I HA 0.338 4.517 4.170 0.015 0.000 0.291 401 I C 1.090 177.281 176.117 0.123 0.000 0.998 401 I CA -0.379 60.993 61.300 0.119 0.000 1.227 401 I CB 1.069 39.327 38.000 0.430 0.000 1.368 401 I HN 0.618 nan 8.210 nan 0.000 0.466 402 G N 5.585 114.375 108.800 -0.017 0.000 2.321 402 G HA2 0.114 4.083 3.960 0.015 0.000 0.237 402 G HA3 0.114 4.083 3.960 0.015 0.000 0.237 402 G C -1.008 174.334 174.900 0.736 0.000 1.282 402 G CA 0.507 45.766 45.100 0.266 0.000 0.886 402 G HN 0.623 nan 8.290 nan 0.000 0.528 403 Y N 0.434 121.014 120.300 0.466 0.000 2.905 403 Y HA 0.569 5.128 4.550 0.015 0.000 0.322 403 Y C 0.845 176.936 175.900 0.318 0.000 1.455 403 Y CA 0.581 58.902 58.100 0.367 0.000 1.083 403 Y CB 1.013 39.591 38.460 0.197 0.000 1.473 403 Y HN 1.593 nan 8.280 nan 0.000 0.449 404 G N 0.917 109.512 108.800 -0.341 0.000 2.554 404 G HA2 0.220 4.189 3.960 0.015 0.000 0.253 404 G HA3 0.220 4.189 3.960 0.015 0.000 0.253 404 G C 1.039 175.864 174.900 -0.124 0.000 1.172 404 G CA 0.960 45.956 45.100 -0.174 0.000 0.950 404 G HN 2.217 nan 8.290 nan 0.000 0.557 405 G N 0.226 109.024 108.800 -0.004 0.000 2.684 405 G HA2 -0.272 3.697 3.960 0.015 0.000 0.342 405 G HA3 -0.272 3.697 3.960 0.015 0.000 0.342 405 G C 1.299 176.181 174.900 -0.029 0.000 1.316 405 G CA 2.377 47.477 45.100 -0.000 0.000 0.994 405 G HN 1.829 nan 8.290 nan 0.000 0.541 406 K N 0.194 120.582 120.400 -0.021 0.000 2.218 406 K HA 0.036 4.365 4.320 0.015 0.000 0.205 406 K C 2.694 179.289 176.600 -0.009 0.000 1.046 406 K CA 1.837 58.123 56.287 -0.002 0.000 0.933 406 K CB -0.775 31.739 32.500 0.024 0.000 0.728 406 K HN 0.462 nan 8.250 nan 0.000 0.454 407 V N 1.534 121.409 119.914 -0.065 0.000 2.313 407 V HA -0.312 3.817 4.120 0.015 0.000 0.253 407 V C 1.274 177.336 176.094 -0.053 0.000 1.070 407 V CA 2.181 64.419 62.300 -0.104 0.000 1.057 407 V CB -0.601 30.992 31.823 -0.383 0.000 0.653 407 V HN 0.410 nan 8.190 nan 0.000 0.450 408 N N 0.010 118.679 118.700 -0.051 0.000 2.370 408 N HA -0.022 4.727 4.740 0.015 0.000 0.198 408 N C 1.481 176.997 175.510 0.010 0.000 1.156 408 N CA 1.021 54.063 53.050 -0.013 0.000 0.839 408 N CB 0.076 38.558 38.487 -0.008 0.000 0.989 408 N HN 0.761 nan 8.380 nan 0.000 0.468 409 T N -3.249 111.314 114.554 0.015 0.000 3.122 409 T HA 0.225 4.584 4.350 0.015 0.000 0.250 409 T C 0.481 175.205 174.700 0.039 0.000 1.067 409 T CA -0.230 61.886 62.100 0.026 0.000 0.966 409 T CB -0.062 68.822 68.868 0.027 0.000 1.002 409 T HN -0.255 nan 8.240 nan 0.000 0.542 410 V N 1.741 121.682 119.914 0.044 0.000 2.483 410 V HA 0.369 4.498 4.120 0.015 0.000 0.295 410 V C -0.031 176.107 176.094 0.074 0.000 1.035 410 V CA -1.135 61.205 62.300 0.066 0.000 0.896 410 V CB 1.416 33.284 31.823 0.074 0.000 0.986 410 V HN 0.330 nan 8.190 nan 0.000 0.447 411 D N 5.503 125.958 120.400 0.091 0.000 2.493 411 D HA 0.119 4.768 4.640 0.015 0.000 0.240 411 D C -1.547 174.825 176.300 0.118 0.000 1.142 411 D CA -0.707 53.352 54.000 0.097 0.000 0.872 411 D CB 1.373 42.238 40.800 0.108 0.000 1.173 411 D HN 0.309 nan 8.370 nan 0.000 0.467 412 P HA -0.161 nan 4.420 nan 0.000 0.220 412 P C 0.362 177.772 177.300 0.183 0.000 1.144 412 P CA 1.016 64.185 63.100 0.116 0.000 0.800 412 P CB 0.247 32.000 31.700 0.089 0.000 0.772 413 A N -0.866 122.072 122.820 0.196 0.000 2.147 413 A HA 0.332 4.662 4.320 0.015 0.000 0.211 413 A C 2.132 179.955 177.584 0.397 0.000 1.160 413 A CA 0.843 53.038 52.037 0.263 0.000 0.781 413 A CB -0.935 18.150 19.000 0.141 0.000 0.842 413 A HN 0.152 nan 8.150 nan 0.000 0.475 414 A N 0.017 123.036 122.820 0.332 0.000 2.015 414 A HA 0.188 4.517 4.320 0.015 0.000 0.219 414 A C 1.597 179.494 177.584 0.521 0.000 1.163 414 A CA 1.817 54.090 52.037 0.393 0.000 0.646 414 A CB -0.649 18.510 19.000 0.266 0.000 0.806 414 A HN 0.682 nan 8.150 nan 0.000 0.448 415 T N -6.061 108.685 114.554 0.320 0.000 2.773 415 T HA 0.654 5.013 4.350 0.015 0.000 0.278 415 T C 0.784 175.262 174.700 -0.369 0.000 1.011 415 T CA -0.029 61.998 62.100 -0.121 0.000 1.014 415 T CB 1.453 70.249 68.868 -0.120 0.000 1.293 415 T HN 0.488 nan 8.240 nan 0.000 0.554 416 A N -0.098 122.188 122.820 -0.891 0.000 2.208 416 A HA 0.405 4.734 4.320 0.015 0.000 0.209 416 A C 0.982 178.470 177.584 -0.160 0.000 1.161 416 A CA -0.013 51.536 52.037 -0.813 0.000 0.782 416 A CB -0.799 17.594 19.000 -1.012 0.000 0.816 416 A HN 0.712 nan 8.150 nan 0.000 0.477 417 L N 0.902 122.087 121.223 -0.063 0.000 2.315 417 L HA 0.208 4.557 4.340 0.015 0.000 0.283 417 L C -1.543 175.375 176.870 0.081 0.000 1.089 417 L CA -1.547 53.339 54.840 0.076 0.000 0.833 417 L CB 1.048 43.167 42.059 0.101 0.000 1.170 417 L HN 0.113 nan 8.230 nan 0.000 0.442 418 P HA -0.047 nan 4.420 nan 0.000 0.235 418 P C 0.077 177.366 177.300 -0.018 0.000 1.177 418 P CA 0.468 63.611 63.100 0.072 0.000 0.785 418 P CB 0.364 32.130 31.700 0.110 0.000 0.885 419 Q N 0.561 120.280 119.800 -0.135 0.000 2.678 419 Q HA 0.193 4.542 4.340 0.015 0.000 0.222 419 Q C 0.525 176.473 176.000 -0.087 0.000 1.281 419 Q CA 0.185 55.827 55.803 -0.267 0.000 0.994 419 Q CB 0.118 28.304 28.738 -0.920 0.000 1.452 419 Q HN -0.073 nan 8.270 nan 0.000 0.570 420 R N 1.048 121.539 120.500 -0.016 0.000 2.694 420 R HA 0.122 4.471 4.340 0.015 0.000 0.334 420 R C -0.215 176.100 176.300 0.026 0.000 1.143 420 R CA 0.134 56.248 56.100 0.023 0.000 1.073 420 R CB 0.600 30.923 30.300 0.038 0.000 1.366 420 R HN 0.483 nan 8.270 nan 0.000 0.577 421 D N -0.554 119.867 120.400 0.034 0.000 2.449 421 D HA 0.132 4.782 4.640 0.015 0.000 0.255 421 D C 0.008 176.366 176.300 0.096 0.000 1.121 421 D CA 0.101 54.130 54.000 0.049 0.000 0.830 421 D CB 0.831 41.650 40.800 0.033 0.000 1.280 421 D HN 0.102 nan 8.370 nan 0.000 0.522 422 A N 1.058 123.972 122.820 0.158 0.000 2.425 422 A HA 0.403 4.733 4.320 0.015 0.000 0.242 422 A C 1.363 179.127 177.584 0.302 0.000 1.077 422 A CA -0.085 52.120 52.037 0.281 0.000 0.781 422 A CB 0.098 19.392 19.000 0.490 0.000 1.020 422 A HN 0.320 nan 8.150 nan 0.000 0.494 423 I N -2.016 118.733 120.570 0.299 0.000 4.187 423 I HA 0.476 4.655 4.170 0.015 0.000 0.326 423 I C -0.266 176.059 176.117 0.347 0.000 1.302 423 I CA 0.086 61.573 61.300 0.312 0.000 1.196 423 I CB -0.013 38.144 38.000 0.261 0.000 1.095 423 I HN 0.381 nan 8.210 nan 0.000 0.411 424 L N 0.518 121.913 121.223 0.286 0.000 2.491 424 L HA 0.601 4.950 4.340 0.015 0.000 0.254 424 L C -0.995 175.932 176.870 0.096 0.000 1.048 424 L CA -0.804 54.133 54.840 0.161 0.000 0.855 424 L CB 2.403 44.482 42.059 0.032 0.000 1.466 424 L HN -0.095 nan 8.230 nan 0.000 0.409 425 K N 0.505 120.904 120.400 -0.002 0.000 2.375 425 K HA 0.754 5.084 4.320 0.015 0.000 0.249 425 K C -1.751 174.847 176.600 -0.004 0.000 0.942 425 K CA -0.780 55.434 56.287 -0.122 0.000 0.806 425 K CB 3.171 35.502 32.500 -0.282 0.000 1.227 425 K HN 0.268 nan 8.250 nan 0.000 0.430 426 V N 2.997 122.900 119.914 -0.019 0.000 2.525 426 V HA 0.412 4.542 4.120 0.015 0.000 0.299 426 V C -1.641 174.328 176.094 -0.209 0.000 1.034 426 V CA -0.661 61.575 62.300 -0.108 0.000 0.863 426 V CB 1.676 33.423 31.823 -0.126 0.000 0.999 426 V HN 0.710 nan 8.190 nan 0.000 0.423 427 N N 5.106 123.624 118.700 -0.303 0.000 2.361 427 N HA 0.538 5.288 4.740 0.015 0.000 0.302 427 N C -1.680 173.548 175.510 -0.470 0.000 1.074 427 N CA -0.164 52.683 53.050 -0.339 0.000 0.850 427 N CB 1.881 40.133 38.487 -0.391 0.000 1.228 427 N HN 0.653 nan 8.380 nan 0.000 0.491 428 Y N 1.412 121.677 120.300 -0.058 0.000 2.388 428 Y HA 0.525 5.085 4.550 0.017 0.000 0.328 428 Y C 0.110 175.953 175.900 -0.095 0.000 0.963 428 Y CA -0.594 57.495 58.100 -0.019 0.000 1.240 428 Y CB 0.910 39.422 38.460 0.086 0.000 1.118 428 Y HN 0.253 nan 8.280 nan 0.000 0.484 429 I N 2.453 123.024 120.570 0.002 0.000 2.474 429 I HA 0.569 4.748 4.170 0.015 0.000 0.294 429 I C -0.136 176.041 176.117 0.100 0.000 1.005 429 I CA -0.658 60.599 61.300 -0.073 0.000 1.113 429 I CB 2.389 40.206 38.000 -0.305 0.000 1.289 429 I HN 0.470 nan 8.210 nan 0.000 0.436 430 T N 3.574 118.240 114.554 0.185 0.000 2.912 430 T HA 0.771 5.130 4.350 0.015 0.000 0.299 430 T C -0.673 174.248 174.700 0.369 0.000 1.052 430 T CA -0.535 61.749 62.100 0.307 0.000 0.996 430 T CB 1.617 70.771 68.868 0.476 0.000 1.070 430 T HN 0.869 nan 8.240 nan 0.000 0.465 431 G N 2.439 111.475 108.800 0.393 0.000 2.612 431 G HA2 0.761 4.730 3.960 0.015 0.000 0.298 431 G HA3 0.761 4.730 3.960 0.015 0.000 0.298 431 G C -1.884 173.079 174.900 0.106 0.000 1.336 431 G CA -0.955 44.206 45.100 0.102 0.000 0.953 431 G HN 0.878 nan 8.290 nan 0.000 0.482 432 W N -0.738 120.355 121.300 -0.346 0.000 3.296 432 W HA 0.676 5.345 4.660 0.014 0.000 0.314 432 W C 0.270 176.634 176.519 -0.259 0.000 1.238 432 W CA -0.627 56.419 57.345 -0.498 0.000 1.193 432 W CB 1.516 30.320 29.460 -1.093 0.000 1.383 432 W HN 0.777 nan 8.180 nan 0.000 0.545 433 A N 1.315 124.131 122.820 -0.007 0.000 1.943 433 A HA 0.065 4.394 4.320 0.015 0.000 0.213 433 A C 0.556 178.140 177.584 -0.000 0.000 1.181 433 A CA 0.782 52.788 52.037 -0.052 0.000 0.653 433 A CB -0.308 18.683 19.000 -0.016 0.000 0.833 433 A HN 0.571 nan 8.150 nan 0.000 0.451 434 N N -0.005 118.759 118.700 0.108 0.000 2.424 434 N HA 0.253 5.002 4.740 0.015 0.000 0.271 434 N C -2.311 173.339 175.510 0.233 0.000 0.985 434 N CA -1.999 51.119 53.050 0.112 0.000 0.921 434 N CB 1.881 40.415 38.487 0.077 0.000 1.149 434 N HN -0.091 nan 8.380 nan 0.000 0.492 435 P HA -0.087 nan 4.420 nan 0.000 0.220 435 P C 1.126 178.487 177.300 0.102 0.000 1.144 435 P CA 0.903 64.136 63.100 0.221 0.000 0.800 435 P CB 0.084 31.854 31.700 0.116 0.000 0.772 436 G N -0.180 108.655 108.800 0.059 0.000 2.470 436 G HA2 -0.219 3.750 3.960 0.015 0.000 0.220 436 G HA3 -0.219 3.750 3.960 0.015 0.000 0.220 436 G C 1.271 176.155 174.900 -0.026 0.000 1.121 436 G CA 0.445 45.552 45.100 0.012 0.000 0.766 436 G HN 0.368 nan 8.290 nan 0.000 0.553 437 N N -0.322 118.361 118.700 -0.028 0.000 2.336 437 N HA 0.116 4.865 4.740 0.015 0.000 0.189 437 N C 1.672 176.965 175.510 -0.363 0.000 1.113 437 N CA 0.202 53.207 53.050 -0.075 0.000 0.858 437 N CB 0.186 38.726 38.487 0.088 0.000 0.970 437 N HN 0.482 nan 8.380 nan 0.000 0.471 438 E N 1.875 121.699 120.200 -0.627 0.000 2.055 438 E HA -0.327 4.032 4.350 0.015 0.000 0.209 438 E C 1.983 178.202 176.600 -0.635 0.000 1.036 438 E CA 1.883 57.660 56.400 -1.039 0.000 0.849 438 E CB -0.121 29.352 29.700 -0.378 0.000 0.767 438 E HN 0.364 nan 8.360 nan 0.000 0.461 439 A N 0.964 123.598 122.820 -0.309 0.000 1.884 439 A HA -0.333 3.997 4.320 0.015 0.000 0.219 439 A C 2.162 179.640 177.584 -0.177 0.000 1.197 439 A CA 2.595 54.516 52.037 -0.193 0.000 0.637 439 A CB -0.856 18.074 19.000 -0.117 0.000 0.827 439 A HN 0.345 nan 8.150 nan 0.000 0.450 440 K N -0.716 119.585 120.400 -0.167 0.000 2.044 440 K HA -0.236 4.093 4.320 0.015 0.000 0.210 440 K C 1.774 178.262 176.600 -0.188 0.000 1.049 440 K CA 2.345 58.536 56.287 -0.160 0.000 0.927 440 K CB -0.557 31.837 32.500 -0.178 0.000 0.713 440 K HN 0.642 nan 8.250 nan 0.000 0.443 441 H N 0.021 118.911 119.070 -0.300 0.000 2.353 441 H HA -0.024 4.541 4.556 0.015 0.000 0.300 441 H C 1.887 177.149 175.328 -0.111 0.000 1.090 441 H CA 1.911 57.824 56.048 -0.226 0.000 1.327 441 H CB -0.191 29.308 29.762 -0.438 0.000 1.383 441 H HN 0.077 nan 8.280 nan 0.000 0.508 442 L N 0.029 121.161 121.223 -0.151 0.000 2.017 442 L HA -0.197 4.153 4.340 0.015 0.000 0.208 442 L C 2.518 179.375 176.870 -0.023 0.000 1.073 442 L CA 1.842 56.640 54.840 -0.069 0.000 0.745 442 L CB -0.749 41.241 42.059 -0.114 0.000 0.894 442 L HN 0.497 nan 8.230 nan 0.000 0.432 443 T N -3.173 111.358 114.554 -0.038 0.000 2.746 443 T HA -0.279 4.080 4.350 0.015 0.000 0.267 443 T C 1.413 176.105 174.700 -0.015 0.000 1.039 443 T CA 1.144 63.224 62.100 -0.033 0.000 1.142 443 T CB -0.754 68.088 68.868 -0.042 0.000 0.866 443 T HN 0.512 nan 8.240 nan 0.000 0.444 444 W N 1.397 122.619 121.300 -0.129 0.000 2.335 444 W HA -0.088 4.583 4.660 0.018 0.000 0.311 444 W C 2.361 178.833 176.519 -0.079 0.000 1.213 444 W CA 1.136 58.408 57.345 -0.122 0.000 1.274 444 W CB -0.632 28.726 29.460 -0.171 0.000 1.148 444 W HN 0.093 nan 8.180 nan 0.000 0.498 445 V N 1.099 121.027 119.914 0.023 0.000 2.719 445 V HA -0.094 4.035 4.120 0.015 0.000 0.252 445 V C 2.352 178.317 176.094 -0.214 0.000 1.065 445 V CA 1.780 63.976 62.300 -0.174 0.000 1.086 445 V CB -0.452 31.482 31.823 0.186 0.000 0.700 445 V HN 0.149 nan 8.190 nan 0.000 0.467 446 R N 0.089 120.504 120.500 -0.142 0.000 2.066 446 R HA -0.151 4.198 4.340 0.015 0.000 0.232 446 R C 2.307 178.529 176.300 -0.131 0.000 1.131 446 R CA 1.899 57.933 56.100 -0.110 0.000 0.955 446 R CB -0.365 29.891 30.300 -0.074 0.000 0.851 446 R HN 0.437 nan 8.270 nan 0.000 0.432 447 K N 1.257 121.534 120.400 -0.205 0.000 1.987 447 K HA -0.182 4.148 4.320 0.015 0.000 0.216 447 K C 1.901 178.317 176.600 -0.307 0.000 1.051 447 K CA 1.582 57.724 56.287 -0.242 0.000 0.942 447 K CB -0.689 31.639 32.500 -0.286 0.000 0.722 447 K HN 0.105 nan 8.250 nan 0.000 0.444 448 L N -0.147 120.777 121.223 -0.499 0.000 2.034 448 L HA -0.297 4.052 4.340 0.015 0.000 0.217 448 L C 2.331 178.986 176.870 -0.358 0.000 1.077 448 L CA 2.281 56.827 54.840 -0.491 0.000 0.769 448 L CB -0.470 41.175 42.059 -0.690 0.000 0.890 448 L HN 0.443 nan 8.230 nan 0.000 0.435 449 Y N -0.203 119.814 120.300 -0.471 0.000 2.184 449 Y HA -0.156 4.401 4.550 0.012 0.000 0.290 449 Y C 2.463 178.220 175.900 -0.237 0.000 1.129 449 Y CA 1.514 59.322 58.100 -0.487 0.000 1.144 449 Y CB -0.361 37.880 38.460 -0.365 0.000 0.995 449 Y HN 0.250 nan 8.280 nan 0.000 0.513 450 A N 0.165 122.966 122.820 -0.033 0.000 1.883 450 A HA -0.222 4.108 4.320 0.015 0.000 0.217 450 A C 1.907 179.412 177.584 -0.131 0.000 1.186 450 A CA 2.169 54.174 52.037 -0.053 0.000 0.624 450 A CB -0.914 18.066 19.000 -0.033 0.000 0.822 450 A HN 0.508 nan 8.150 nan 0.000 0.444 451 D N -0.351 119.941 120.400 -0.180 0.000 2.104 451 D HA -0.112 4.537 4.640 0.015 0.000 0.194 451 D C 2.030 178.184 176.300 -0.244 0.000 0.994 451 D CA 1.472 55.360 54.000 -0.187 0.000 0.830 451 D CB -0.582 40.103 40.800 -0.192 0.000 0.959 451 D HN 0.187 nan 8.370 nan 0.000 0.452 452 V N 0.027 119.705 119.914 -0.393 0.000 2.392 452 V HA -0.234 3.896 4.120 0.015 0.000 0.249 452 V C 0.928 176.608 176.094 -0.690 0.000 1.059 452 V CA 1.392 63.342 62.300 -0.583 0.000 1.051 452 V CB -0.503 30.834 31.823 -0.809 0.000 0.658 452 V HN 0.258 nan 8.190 nan 0.000 0.455 453 Y N -0.583 119.552 120.300 -0.275 0.000 2.801 453 Y HA 0.607 5.169 4.550 0.019 0.000 0.318 453 Y C 1.586 177.392 175.900 -0.156 0.000 1.073 453 Y CA -0.221 57.740 58.100 -0.231 0.000 1.360 453 Y CB -0.706 37.546 38.460 -0.348 0.000 1.220 453 Y HN 0.089 nan 8.280 nan 0.000 0.536 454 A N 0.090 122.876 122.820 -0.056 0.000 1.908 454 A HA -0.198 4.131 4.320 0.015 0.000 0.218 454 A C 2.105 179.680 177.584 -0.015 0.000 1.181 454 A CA 1.755 53.767 52.037 -0.041 0.000 0.627 454 A CB -0.202 18.762 19.000 -0.060 0.000 0.818 454 A HN 0.523 nan 8.150 nan 0.000 0.445 455 E N -0.816 119.381 120.200 -0.006 0.000 2.204 455 E HA -0.107 4.253 4.350 0.015 0.000 0.194 455 E C 1.129 177.737 176.600 0.013 0.000 0.989 455 E CA 1.397 57.800 56.400 0.005 0.000 0.824 455 E CB -0.148 29.556 29.700 0.008 0.000 0.756 455 E HN 0.763 nan 8.360 nan 0.000 0.477 456 T N -3.330 111.240 114.554 0.027 0.000 3.293 456 T HA 0.433 4.792 4.350 0.015 0.000 0.276 456 T C 0.871 175.568 174.700 -0.006 0.000 1.003 456 T CA 0.131 62.239 62.100 0.013 0.000 0.916 456 T CB 0.718 69.596 68.868 0.018 0.000 1.134 456 T HN 0.167 nan 8.240 nan 0.000 0.530 457 G N 0.120 108.919 108.800 -0.002 0.000 2.132 457 G HA2 0.148 4.117 3.960 0.015 0.000 0.234 457 G HA3 0.148 4.117 3.960 0.015 0.000 0.234 457 G C 1.116 176.014 174.900 -0.003 0.000 0.989 457 G CA 0.274 45.370 45.100 -0.007 0.000 0.676 457 G HN 1.851 nan 8.290 nan 0.000 0.522 458 G N -2.547 106.257 108.800 0.006 0.000 2.179 458 G HA2 0.101 4.070 3.960 0.015 0.000 0.260 458 G HA3 0.101 4.070 3.960 0.015 0.000 0.260 458 G C 1.059 175.951 174.900 -0.013 0.000 0.977 458 G CA 1.744 46.853 45.100 0.015 0.000 0.641 458 G HN 2.406 nan 8.290 nan 0.000 0.533 459 V N -3.508 116.346 119.914 -0.100 0.000 3.001 459 V HA 0.889 5.018 4.120 0.015 0.000 0.314 459 V C -2.472 173.263 176.094 -0.598 0.000 1.099 459 V CA -2.261 59.873 62.300 -0.277 0.000 0.989 459 V CB 2.235 34.005 31.823 -0.088 0.000 1.040 459 V HN -0.048 nan 8.190 nan 0.000 0.434 460 P HA 0.205 nan 4.420 nan 0.000 0.228 460 P C 0.110 177.211 177.300 -0.331 0.000 1.748 460 P CA -0.195 62.375 63.100 -0.883 0.000 0.909 460 P CB -0.313 30.917 31.700 -0.784 0.000 1.882 461 V N 2.318 122.098 119.914 -0.224 0.000 2.717 461 V HA -0.124 4.006 4.120 0.015 0.000 0.302 461 V C -1.662 174.391 176.094 -0.068 0.000 1.097 461 V CA -0.225 62.007 62.300 -0.113 0.000 1.262 461 V CB -0.823 30.957 31.823 -0.071 0.000 0.846 461 V HN 0.267 nan 8.190 nan 0.000 0.485 462 P HA 0.026 nan 4.420 nan 0.000 0.258 462 P C -0.121 177.180 177.300 0.002 0.000 1.172 462 P CA 0.747 63.838 63.100 -0.014 0.000 0.762 462 P CB 0.402 32.096 31.700 -0.010 0.000 0.764 463 N N 1.688 120.400 118.700 0.019 0.000 3.479 463 N HA 0.222 4.971 4.740 0.015 0.000 0.336 463 N C 0.256 175.789 175.510 0.038 0.000 1.623 463 N CA -0.591 52.477 53.050 0.030 0.000 0.759 463 N CB 0.904 39.417 38.487 0.044 0.000 2.016 463 N HN 0.070 nan 8.380 nan 0.000 0.637 464 D N -0.443 119.983 120.400 0.043 0.000 2.240 464 D HA -0.013 4.637 4.640 0.015 0.000 0.206 464 D C 1.550 177.886 176.300 0.061 0.000 0.963 464 D CA 0.963 54.991 54.000 0.046 0.000 0.863 464 D CB 0.236 41.060 40.800 0.040 0.000 0.973 464 D HN 0.281 nan 8.370 nan 0.000 0.501 465 V N -1.921 118.038 119.914 0.075 0.000 2.788 465 V HA 0.227 4.356 4.120 0.015 0.000 0.241 465 V C 0.864 177.033 176.094 0.125 0.000 1.083 465 V CA 0.352 62.711 62.300 0.099 0.000 1.103 465 V CB 0.241 32.126 31.823 0.102 0.000 0.800 465 V HN -0.141 nan 8.190 nan 0.000 0.476 466 S N 1.145 116.918 115.700 0.121 0.000 2.654 466 S HA 0.564 5.044 4.470 0.015 0.000 0.283 466 S C -0.220 174.429 174.600 0.082 0.000 1.180 466 S CA 0.104 58.379 58.200 0.124 0.000 1.021 466 S CB 1.492 64.749 63.200 0.094 0.000 1.018 466 S HN 0.641 nan 8.310 nan 0.000 0.532 467 D N -0.047 120.414 120.400 0.101 0.000 2.865 467 D HA 0.399 5.048 4.640 0.015 0.000 0.347 467 D C 0.651 176.977 176.300 0.043 0.000 1.498 467 D CA 0.753 54.778 54.000 0.042 0.000 0.787 467 D CB -0.137 40.658 40.800 -0.008 0.000 1.190 467 D HN 0.807 nan 8.370 nan 0.000 0.445 468 G N 0.441 109.267 108.800 0.043 0.000 2.488 468 G HA2 0.257 4.226 3.960 0.015 0.000 0.237 468 G HA3 0.257 4.226 3.960 0.015 0.000 0.237 468 G C -0.161 174.832 174.900 0.154 0.000 1.209 468 G CA -0.078 45.029 45.100 0.012 0.000 0.929 468 G HN 0.877 nan 8.290 nan 0.000 0.578 469 A N -1.664 121.239 122.820 0.138 0.000 2.564 469 A HA 0.788 5.117 4.320 0.015 0.000 0.288 469 A C -1.345 176.563 177.584 0.540 0.000 1.164 469 A CA 0.273 52.434 52.037 0.208 0.000 0.712 469 A CB 1.706 20.604 19.000 -0.170 0.000 1.303 469 A HN 2.194 nan 8.150 nan 0.000 0.418 470 Y N 0.871 121.410 120.300 0.398 0.000 2.328 470 Y HA 0.507 5.066 4.550 0.014 0.000 0.337 470 Y C 0.581 176.678 175.900 0.328 0.000 0.966 470 Y CA -1.370 56.930 58.100 0.333 0.000 1.136 470 Y CB 1.337 39.715 38.460 -0.137 0.000 1.170 470 Y HN 0.569 nan 8.280 nan 0.000 0.470 471 I N 4.280 124.838 120.570 -0.020 0.000 2.700 471 I HA -0.174 4.005 4.170 0.015 0.000 0.261 471 I C 1.147 176.984 176.117 -0.466 0.000 1.219 471 I CA 1.290 62.355 61.300 -0.390 0.000 1.463 471 I CB -0.405 37.436 38.000 -0.265 0.000 1.092 471 I HN 0.689 nan 8.210 nan 0.000 0.452 472 N N -0.326 117.788 118.700 -0.977 0.000 2.461 472 N HA -0.045 4.704 4.740 0.015 0.000 0.188 472 N C -0.520 174.793 175.510 -0.329 0.000 1.134 472 N CA 0.515 53.094 53.050 -0.785 0.000 0.878 472 N CB 0.046 37.929 38.487 -1.008 0.000 0.972 472 N HN 0.283 nan 8.380 nan 0.000 0.456 473 Y N 1.008 121.211 120.300 -0.162 0.000 2.726 473 Y HA 0.385 4.943 4.550 0.014 0.000 0.367 473 Y C -2.092 173.874 175.900 0.110 0.000 1.038 473 Y CA -3.605 54.588 58.100 0.155 0.000 1.174 473 Y CB 0.004 38.561 38.460 0.161 0.000 1.265 473 Y HN -0.046 nan 8.280 nan 0.000 0.622 474 P HA 0.105 nan 4.420 nan 0.000 0.271 474 P C -0.368 176.985 177.300 0.090 0.000 1.216 474 P CA 0.131 63.251 63.100 0.033 0.000 0.776 474 P CB 1.729 33.351 31.700 -0.130 0.000 0.881 475 D N 1.103 121.617 120.400 0.190 0.000 2.479 475 D HA 0.114 4.763 4.640 0.015 0.000 0.246 475 D C 0.809 177.173 176.300 0.108 0.000 1.336 475 D CA -0.514 53.551 54.000 0.108 0.000 0.967 475 D CB 0.886 41.731 40.800 0.076 0.000 1.275 475 D HN 0.165 nan 8.370 nan 0.000 0.577 476 S N 2.135 117.856 115.700 0.035 0.000 2.562 476 S HA -0.053 4.426 4.470 0.015 0.000 0.221 476 S C 1.058 175.669 174.600 0.020 0.000 0.975 476 S CA 0.240 58.448 58.200 0.014 0.000 0.918 476 S CB 0.114 63.315 63.200 0.001 0.000 0.772 476 S HN 0.309 nan 8.310 nan 0.000 0.531 477 D N 2.545 122.956 120.400 0.018 0.000 2.144 477 D HA -0.019 4.631 4.640 0.015 0.000 0.199 477 D C 1.621 177.945 176.300 0.040 0.000 0.984 477 D CA 0.958 54.964 54.000 0.009 0.000 0.834 477 D CB -0.436 40.337 40.800 -0.044 0.000 0.955 477 D HN 0.418 nan 8.370 nan 0.000 0.465 478 L N -0.168 121.098 121.223 0.071 0.000 2.549 478 L HA -0.008 4.342 4.340 0.015 0.000 0.229 478 L C 1.722 178.697 176.870 0.175 0.000 1.158 478 L CA 0.510 55.420 54.840 0.117 0.000 0.842 478 L CB -0.202 41.935 42.059 0.130 0.000 0.952 478 L HN -0.010 nan 8.230 nan 0.000 0.452 479 A N -1.770 121.129 122.820 0.132 0.000 2.431 479 A HA 0.085 4.415 4.320 0.015 0.000 0.239 479 A C 0.114 177.757 177.584 0.098 0.000 1.230 479 A CA -0.257 51.873 52.037 0.155 0.000 0.928 479 A CB -0.020 18.965 19.000 -0.026 0.000 1.006 479 A HN 0.178 nan 8.150 nan 0.000 0.520 480 D N 0.715 121.156 120.400 0.068 0.000 2.313 480 D HA 0.321 4.971 4.640 0.015 0.000 0.239 480 D C -1.361 174.968 176.300 0.050 0.000 1.142 480 D CA -1.907 52.123 54.000 0.050 0.000 0.847 480 D CB 1.652 42.471 40.800 0.033 0.000 1.082 480 D HN 0.022 nan 8.370 nan 0.000 0.480 481 P HA -0.094 nan 4.420 nan 0.000 0.219 481 P C 1.261 178.578 177.300 0.028 0.000 1.146 481 P CA 0.725 63.849 63.100 0.040 0.000 0.808 481 P CB 0.292 32.016 31.700 0.039 0.000 0.779 482 G N -0.058 108.757 108.800 0.024 0.000 2.403 482 G HA2 -0.125 3.845 3.960 0.015 0.000 0.216 482 G HA3 -0.125 3.845 3.960 0.015 0.000 0.216 482 G C 1.435 176.344 174.900 0.015 0.000 1.154 482 G CA 0.345 45.455 45.100 0.016 0.000 0.784 482 G HN 0.131 nan 8.290 nan 0.000 0.538 483 L N 0.031 121.266 121.223 0.021 0.000 2.298 483 L HA 0.221 4.570 4.340 0.015 0.000 0.209 483 L C 0.494 177.388 176.870 0.040 0.000 1.084 483 L CA 0.454 55.309 54.840 0.025 0.000 0.816 483 L CB -0.973 41.097 42.059 0.018 0.000 0.967 483 L HN 0.165 nan 8.230 nan 0.000 0.460 484 N N 0.507 119.233 118.700 0.043 0.000 2.527 484 N HA 0.061 4.810 4.740 0.015 0.000 0.236 484 N C 0.677 176.205 175.510 0.028 0.000 0.999 484 N CA 0.229 53.305 53.050 0.043 0.000 0.935 484 N CB 0.756 39.276 38.487 0.055 0.000 1.132 484 N HN 0.132 nan 8.380 nan 0.000 0.511 485 T N -0.821 113.744 114.554 0.019 0.000 3.085 485 T HA 0.149 4.508 4.350 0.015 0.000 0.264 485 T C 0.802 175.505 174.700 0.004 0.000 1.019 485 T CA -0.352 61.755 62.100 0.011 0.000 0.910 485 T CB -0.389 68.484 68.868 0.008 0.000 1.059 485 T HN 0.319 nan 8.240 nan 0.000 0.542 486 S N 0.379 116.079 115.700 -0.001 0.000 2.626 486 S HA 0.485 4.964 4.470 0.015 0.000 0.257 486 S C 1.570 176.164 174.600 -0.009 0.000 1.288 486 S CA -0.012 58.181 58.200 -0.010 0.000 0.980 486 S CB 0.367 63.552 63.200 -0.024 0.000 0.975 486 S HN 0.374 nan 8.310 nan 0.000 0.577 487 G N -0.835 107.957 108.800 -0.013 0.000 2.985 487 G HA2 0.331 4.300 3.960 0.015 0.000 0.209 487 G HA3 0.331 4.300 3.960 0.015 0.000 0.209 487 G C -0.133 174.752 174.900 -0.025 0.000 1.165 487 G CA -0.175 44.918 45.100 -0.011 0.000 0.776 487 G HN 0.585 nan 8.290 nan 0.000 0.541 488 V N 2.278 122.167 119.914 -0.041 0.000 2.350 488 V HA 0.293 4.422 4.120 0.015 0.000 0.276 488 V C -2.060 173.962 176.094 -0.120 0.000 1.028 488 V CA -1.938 60.317 62.300 -0.075 0.000 0.860 488 V CB 1.674 33.453 31.823 -0.074 0.000 0.990 488 V HN 0.012 nan 8.190 nan 0.000 0.453 489 P HA 0.078 nan 4.420 nan 0.000 0.274 489 P C 1.014 178.025 177.300 -0.482 0.000 1.231 489 P CA -0.492 62.370 63.100 -0.396 0.000 0.790 489 P CB 0.523 31.780 31.700 -0.739 0.000 0.951 490 W N 3.061 124.186 121.300 -0.292 0.000 2.304 490 W HA -0.285 4.393 4.660 0.029 0.000 0.315 490 W C 1.316 177.791 176.519 -0.074 0.000 1.233 490 W CA 2.072 59.349 57.345 -0.115 0.000 1.261 490 W CB -2.325 27.188 29.460 0.088 0.000 1.150 490 W HN 0.530 nan 8.180 nan 0.000 0.494 491 H N -0.454 118.032 119.070 -0.973 0.000 2.491 491 H HA -0.012 4.547 4.556 0.006 0.000 0.290 491 H C 1.129 176.184 175.328 -0.455 0.000 1.050 491 H CA 1.524 56.977 56.048 -0.991 0.000 1.309 491 H CB -1.232 27.425 29.762 -1.842 0.000 1.392 491 H HN 0.063 nan 8.280 nan 0.000 0.554 492 D N 0.088 120.334 120.400 -0.258 0.000 2.234 492 D HA 0.006 4.656 4.640 0.015 0.000 0.205 492 D C 1.917 178.182 176.300 -0.059 0.000 0.962 492 D CA 0.613 54.575 54.000 -0.063 0.000 0.855 492 D CB 0.073 40.823 40.800 -0.083 0.000 0.951 492 D HN 0.373 nan 8.370 nan 0.000 0.500 493 L N -0.714 120.425 121.223 -0.140 0.000 2.068 493 L HA -0.102 4.247 4.340 0.015 0.000 0.204 493 L C 1.891 178.651 176.870 -0.183 0.000 1.076 493 L CA 0.801 55.529 54.840 -0.185 0.000 0.753 493 L CB -0.303 41.581 42.059 -0.292 0.000 0.910 493 L HN 0.070 nan 8.230 nan 0.000 0.439 494 Y N -1.537 118.721 120.300 -0.071 0.000 2.220 494 Y HA -0.175 4.385 4.550 0.016 0.000 0.291 494 Y C 1.963 177.767 175.900 -0.159 0.000 1.129 494 Y CA 1.285 59.266 58.100 -0.199 0.000 1.161 494 Y CB -0.280 37.846 38.460 -0.557 0.000 0.997 494 Y HN 0.067 nan 8.280 nan 0.000 0.522 495 Y N -1.335 119.117 120.300 0.253 0.000 2.444 495 Y HA 0.189 4.745 4.550 0.010 0.000 0.252 495 Y C 1.184 177.178 175.900 0.156 0.000 1.091 495 Y CA -0.932 57.291 58.100 0.205 0.000 1.276 495 Y CB -0.126 38.477 38.460 0.238 0.000 1.170 495 Y HN -0.133 nan 8.280 nan 0.000 0.517 496 K N -0.583 119.955 120.400 0.230 0.000 1.931 496 K HA -0.316 4.013 4.320 0.015 0.000 0.126 496 K C 1.693 178.405 176.600 0.188 0.000 1.372 496 K CA 1.206 57.586 56.287 0.155 0.000 0.483 496 K CB -1.555 31.006 32.500 0.102 0.000 0.562 496 K HN 0.405 nan 8.250 nan 0.000 0.923 497 G N 0.894 109.787 108.800 0.154 0.000 2.498 497 G HA2 -0.219 3.750 3.960 0.015 0.000 0.219 497 G HA3 -0.219 3.750 3.960 0.015 0.000 0.219 497 G C 0.962 175.975 174.900 0.189 0.000 1.119 497 G CA 1.174 46.362 45.100 0.147 0.000 0.766 497 G HN 0.395 nan 8.290 nan 0.000 0.552 498 N N -0.109 118.751 118.700 0.267 0.000 2.467 498 N HA -0.016 4.733 4.740 0.015 0.000 0.184 498 N C 1.587 177.285 175.510 0.313 0.000 1.106 498 N CA 0.409 53.678 53.050 0.366 0.000 0.892 498 N CB -0.228 38.525 38.487 0.442 0.000 0.969 498 N HN 0.445 nan 8.380 nan 0.000 0.454 499 H N 1.957 121.117 119.070 0.150 0.000 2.290 499 H HA -0.039 4.526 4.556 0.014 0.000 0.298 499 H C -0.843 174.479 175.328 -0.010 0.000 1.087 499 H CA 1.764 57.833 56.048 0.035 0.000 1.291 499 H CB -0.882 28.895 29.762 0.025 0.000 1.369 499 H HN 0.149 nan 8.280 nan 0.000 0.492 500 P HA -0.096 nan 4.420 nan 0.000 0.218 500 P C 1.403 178.632 177.300 -0.119 0.000 1.149 500 P CA 1.499 64.500 63.100 -0.165 0.000 0.817 500 P CB -0.036 31.622 31.700 -0.069 0.000 0.785 501 R N -0.069 120.400 120.500 -0.051 0.000 2.075 501 R HA -0.022 4.328 4.340 0.015 0.000 0.232 501 R C 2.181 178.524 176.300 0.072 0.000 1.126 501 R CA 1.078 57.134 56.100 -0.073 0.000 0.963 501 R CB -0.824 29.283 30.300 -0.322 0.000 0.858 501 R HN 0.157 nan 8.270 nan 0.000 0.435 502 L N -0.005 121.333 121.223 0.191 0.000 2.131 502 L HA -0.142 4.207 4.340 0.015 0.000 0.210 502 L C 2.655 179.565 176.870 0.067 0.000 1.092 502 L CA 1.253 56.186 54.840 0.154 0.000 0.759 502 L CB -0.329 41.719 42.059 -0.018 0.000 0.903 502 L HN 0.174 nan 8.230 nan 0.000 0.435 503 R N -0.045 120.384 120.500 -0.119 0.000 2.075 503 R HA -0.149 4.200 4.340 0.015 0.000 0.232 503 R C 2.401 178.685 176.300 -0.026 0.000 1.126 503 R CA 1.075 57.088 56.100 -0.146 0.000 0.963 503 R CB -0.133 29.956 30.300 -0.351 0.000 0.858 503 R HN 0.230 nan 8.270 nan 0.000 0.435 504 K N 0.714 121.099 120.400 -0.024 0.000 2.026 504 K HA -0.122 4.207 4.320 0.015 0.000 0.208 504 K C 1.877 178.521 176.600 0.074 0.000 1.048 504 K CA 1.476 57.765 56.287 0.004 0.000 0.929 504 K CB 0.023 32.508 32.500 -0.024 0.000 0.713 504 K HN 0.023 nan 8.250 nan 0.000 0.439 505 V N 1.664 121.650 119.914 0.119 0.000 2.343 505 V HA -0.233 3.896 4.120 0.015 0.000 0.247 505 V C 2.427 178.720 176.094 0.333 0.000 1.051 505 V CA 2.033 64.460 62.300 0.213 0.000 1.036 505 V CB -0.511 31.301 31.823 -0.018 0.000 0.654 505 V HN 0.361 nan 8.190 nan 0.000 0.451 506 K N 1.259 121.877 120.400 0.364 0.000 2.032 506 K HA -0.173 4.156 4.320 0.015 0.000 0.209 506 K C 2.088 178.819 176.600 0.217 0.000 1.048 506 K CA 1.934 58.444 56.287 0.373 0.000 0.927 506 K CB -0.752 31.892 32.500 0.241 0.000 0.712 506 K HN 0.377 nan 8.250 nan 0.000 0.441 507 A N 0.484 123.378 122.820 0.123 0.000 1.883 507 A HA -0.095 4.235 4.320 0.015 0.000 0.217 507 A C 2.404 180.012 177.584 0.040 0.000 1.186 507 A CA 2.230 54.305 52.037 0.062 0.000 0.624 507 A CB -1.184 17.828 19.000 0.019 0.000 0.822 507 A HN 0.479 nan 8.150 nan 0.000 0.444 508 A N -1.881 120.946 122.820 0.011 0.000 1.898 508 A HA 0.017 4.347 4.320 0.015 0.000 0.216 508 A C 2.001 179.432 177.584 -0.256 0.000 1.181 508 A CA 1.595 53.529 52.037 -0.172 0.000 0.620 508 A CB -0.566 18.256 19.000 -0.298 0.000 0.819 508 A HN 0.622 nan 8.150 nan 0.000 0.442 509 Y N -1.884 118.479 120.300 0.105 0.000 2.507 509 Y HA 0.202 4.761 4.550 0.014 0.000 0.263 509 Y C 0.629 176.624 175.900 0.159 0.000 1.093 509 Y CA 0.241 58.412 58.100 0.118 0.000 1.285 509 Y CB 0.565 39.090 38.460 0.109 0.000 1.115 509 Y HN 0.243 nan 8.280 nan 0.000 0.533 510 D N -0.069 120.520 120.400 0.316 0.000 2.863 510 D HA 0.236 4.885 4.640 0.015 0.000 0.323 510 D C -2.177 174.229 176.300 0.176 0.000 1.286 510 D CA -2.393 51.776 54.000 0.281 0.000 0.921 510 D CB 0.517 41.520 40.800 0.338 0.000 1.024 510 D HN -0.005 nan 8.370 nan 0.000 0.505 511 P HA -0.131 nan 4.420 nan 0.000 0.216 511 P C 1.076 178.414 177.300 0.063 0.000 1.153 511 P CA 1.068 64.210 63.100 0.071 0.000 0.858 511 P CB 0.234 31.962 31.700 0.046 0.000 0.789 512 R N -1.913 118.634 120.500 0.079 0.000 2.307 512 R HA 0.028 4.378 4.340 0.015 0.000 0.199 512 R C 0.336 176.663 176.300 0.044 0.000 1.000 512 R CA 0.200 56.336 56.100 0.060 0.000 1.023 512 R CB -0.975 29.371 30.300 0.077 0.000 0.908 512 R HN 0.115 nan 8.270 nan 0.000 0.473 513 N N 0.656 119.396 118.700 0.066 0.000 2.688 513 N HA -0.254 4.495 4.740 0.015 0.000 0.258 513 N C 0.496 176.024 175.510 0.031 0.000 1.016 513 N CA 0.422 53.493 53.050 0.034 0.000 0.747 513 N CB -1.109 37.332 38.487 -0.075 0.000 0.895 513 N HN 0.415 nan 8.380 nan 0.000 0.543 514 H N -0.658 118.398 119.070 -0.023 0.000 2.436 514 H HA 0.034 4.599 4.556 0.015 0.000 0.294 514 H C -0.209 174.914 175.328 -0.343 0.000 1.048 514 H CA 1.001 56.907 56.048 -0.237 0.000 1.353 514 H CB 0.186 29.688 29.762 -0.434 0.000 1.414 514 H HN 0.307 nan 8.280 nan 0.000 0.536 515 F N 2.987 123.015 119.950 0.130 0.000 2.332 515 F HA 0.278 4.813 4.527 0.014 0.000 0.368 515 F C 0.322 176.098 175.800 -0.040 0.000 1.110 515 F CA -0.628 57.378 58.000 0.010 0.000 1.087 515 F CB 0.674 39.679 39.000 0.009 0.000 1.235 515 F HN 0.173 nan 8.300 nan 0.000 0.470 516 H N 1.615 120.612 119.070 -0.121 0.000 2.990 516 H HA 0.639 5.204 4.556 0.015 0.000 0.336 516 H C -1.439 173.721 175.328 -0.279 0.000 1.306 516 H CA -0.843 55.038 56.048 -0.278 0.000 1.118 516 H CB 2.249 31.894 29.762 -0.196 0.000 1.856 516 H HN 0.717 nan 8.280 nan 0.000 0.538 517 H N -1.950 116.941 119.070 -0.297 0.000 2.863 517 H HA 0.480 5.045 4.556 0.015 0.000 0.274 517 H C -0.239 174.863 175.328 -0.377 0.000 1.457 517 H CA -0.342 55.448 56.048 -0.430 0.000 1.151 517 H CB 1.098 30.408 29.762 -0.753 0.000 1.844 517 H HN 0.604 nan 8.280 nan 0.000 0.562 518 A N 0.318 123.106 122.820 -0.054 0.000 2.125 518 A HA -0.024 4.305 4.320 0.015 0.000 0.219 518 A C 1.095 178.517 177.584 -0.269 0.000 1.156 518 A CA 1.573 53.576 52.037 -0.056 0.000 0.671 518 A CB -0.322 18.723 19.000 0.074 0.000 0.794 518 A HN 0.277 nan 8.150 nan 0.000 0.459 519 L N 0.218 121.245 121.223 -0.326 0.000 3.289 519 L HA 0.203 4.552 4.340 0.015 0.000 0.291 519 L C 0.720 177.226 176.870 -0.606 0.000 1.279 519 L CA 0.065 54.427 54.840 -0.797 0.000 1.025 519 L CB 0.070 41.866 42.059 -0.440 0.000 1.413 519 L HN 0.320 nan 8.230 nan 0.000 0.593 520 S N -0.674 114.656 115.700 -0.616 0.000 2.592 520 S HA 0.467 4.946 4.470 0.015 0.000 0.271 520 S C 0.476 175.177 174.600 0.167 0.000 1.326 520 S CA -0.751 57.152 58.200 -0.495 0.000 1.024 520 S CB 1.189 63.906 63.200 -0.806 0.000 0.921 520 S HN 0.067 nan 8.310 nan 0.000 0.527 521 I N 2.045 122.717 120.570 0.170 0.000 2.683 521 I HA 0.075 4.254 4.170 0.015 0.000 0.286 521 I C 0.756 176.960 176.117 0.145 0.000 1.175 521 I CA 0.222 61.667 61.300 0.241 0.000 1.429 521 I CB -0.792 37.233 38.000 0.042 0.000 1.371 521 I HN 0.758 nan 8.210 nan 0.000 0.569 522 R N 6.277 126.893 120.500 0.194 0.000 2.255 522 R HA 0.608 4.957 4.340 0.015 0.000 0.326 522 R C -2.417 173.914 176.300 0.053 0.000 0.986 522 R CA -1.644 54.531 56.100 0.126 0.000 0.847 522 R CB -0.329 30.083 30.300 0.186 0.000 1.111 522 R HN 0.323 nan 8.270 nan 0.000 0.452 523 P HA 0.000 nan 4.420 nan 0.000 0.216 523 P CA 0.000 63.115 63.100 0.025 0.000 0.800 523 P CB 0.000 31.712 31.700 0.019 0.000 0.726