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 3gwj_1_B DATA FIRST_RESID 8 DATA SEQUENCE HVLKTKDVDT VFVERQKKVL SLFQDVDQLN TNDEYYKIGK DYDIEANIDN DATA SEQUENCE YTNKKAVEDF LKMYRCGFLP KYNEFSVFHD KLRDEAIALF HLFYYAKDFD DATA SEQUENCE TFYKSAAFAR VHLNQGQFLY AYYIAIIQRK DTYGIVLPAP YEIYPELFVN DATA SEQUENCE IDTTYKMFRT KMQNGLINPE AAVEYGIVKE DNHYVYYSNY SNAITYYNEE DATA SEQUENCE QRLAYFTEDI GLNAYYFFFH IHLPFWWTAE KYGNLKERRG EMYHYFYDQL DATA SEQUENCE LTRYYFERLT NGLGTIPEFS WYSPVKTGHY PLLTSYYTPF SQRPNFYNVH DATA SEQUENCE SEENYEKIRF LDAYENYFVQ ALQKGVFEGF GQTIYLNDSK ANSFVGNYWQ DATA SEQUENCE DNADLYGEEV TKDYQRSYEI VARQVLGAAP KPFDKYTFMP SALDFYQTSL DATA SEQUENCE RDPTFYQLYN RIIGYFNQFK QYLEPHSQEK LHFVGVKVNN VVVDKLVTFF DATA SEQUENCE EYYDFDATNT VFLTEEELKT KYPHNLKVRQ PRLNHQPFNI NIDIKADVAT DATA SEQUENCE DAVVKIFMGP KYNENGFPIT LENDWMKFFE MDWFTHKITP GQNTIVRNSN DATA SEQUENCE EFVIFKEDSL PSTELYKLLE KGKVPFDMSE DFGYLPKRLM LPRGTKGGFP DATA SEQUENCE FQFVVFVYPF ESTTKNLTPY EKFMIDNKPL GYPFDRPVDT SCFKQPNIFF DATA SEQUENCE RDVSVYHEGE YHAYEYNVPA YFSH 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.333 175.328 0.008 0.000 0.993 8 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 8 H CB 0.000 29.765 29.762 0.004 0.000 1.292 9 V N 5.642 125.350 119.914 -0.344 0.000 2.617 9 V HA 0.322 4.441 4.120 -0.001 0.000 0.298 9 V C 0.600 176.442 176.094 -0.421 0.000 1.048 9 V CA -0.821 61.308 62.300 -0.285 0.000 0.964 9 V CB 1.443 33.180 31.823 -0.145 0.000 1.004 9 V HN 0.687 nan 8.190 nan 0.000 0.466 10 L N 1.334 122.410 121.223 -0.245 0.000 2.276 10 L HA 0.595 4.934 4.340 -0.001 0.000 0.286 10 L C 0.173 176.996 176.870 -0.078 0.000 1.061 10 L CA -0.499 54.250 54.840 -0.152 0.000 0.807 10 L CB 0.466 42.503 42.059 -0.037 0.000 1.177 10 L HN 0.578 nan 8.230 nan 0.000 0.429 11 K N 2.449 122.816 120.400 -0.056 0.000 2.451 11 K HA 0.119 4.438 4.320 -0.001 0.000 0.280 11 K C -0.090 176.534 176.600 0.041 0.000 1.020 11 K CA 0.086 56.340 56.287 -0.055 0.000 1.008 11 K CB 0.694 33.116 32.500 -0.129 0.000 0.917 11 K HN 0.896 nan 8.250 nan 0.000 0.478 12 T N 2.801 117.370 114.554 0.024 0.000 2.940 12 T HA 0.407 4.756 4.350 -0.001 0.000 0.288 12 T C -1.414 173.361 174.700 0.125 0.000 1.045 12 T CA -0.830 61.314 62.100 0.074 0.000 1.018 12 T CB 1.070 69.951 68.868 0.022 0.000 1.151 12 T HN 0.644 nan 8.240 nan 0.000 0.529 13 K N 1.722 122.186 120.400 0.107 0.000 2.422 13 K HA 0.390 4.709 4.320 -0.001 0.000 0.251 13 K C -1.322 175.254 176.600 -0.040 0.000 0.933 13 K CA -0.770 55.572 56.287 0.091 0.000 0.798 13 K CB 1.365 33.927 32.500 0.104 0.000 1.238 13 K HN 0.612 nan 8.250 nan 0.000 0.428 14 D N 2.623 122.992 120.400 -0.052 0.000 2.255 14 D HA 0.271 4.910 4.640 -0.001 0.000 0.249 14 D C -0.329 175.858 176.300 -0.189 0.000 1.078 14 D CA -0.146 53.799 54.000 -0.092 0.000 0.896 14 D CB 1.728 42.496 40.800 -0.052 0.000 1.194 14 D HN 0.349 nan 8.370 nan 0.000 0.429 15 V N -1.272 118.515 119.914 -0.212 0.000 2.925 15 V HA 0.487 4.606 4.120 -0.001 0.000 0.311 15 V C -0.520 175.510 176.094 -0.106 0.000 1.104 15 V CA -1.204 60.906 62.300 -0.316 0.000 0.954 15 V CB 2.035 33.410 31.823 -0.747 0.000 1.022 15 V HN 0.457 nan 8.190 nan 0.000 0.427 16 D N 1.227 121.602 120.400 -0.042 0.000 2.447 16 D HA 0.326 4.966 4.640 -0.001 0.000 0.265 16 D C 1.091 177.431 176.300 0.068 0.000 1.250 16 D CA 0.323 54.333 54.000 0.017 0.000 1.046 16 D CB 0.360 41.172 40.800 0.020 0.000 1.095 16 D HN 0.518 nan 8.370 nan 0.000 0.555 17 T N -0.727 113.853 114.554 0.044 0.000 2.788 17 T HA -0.098 4.252 4.350 -0.001 0.000 0.268 17 T C 1.887 176.605 174.700 0.029 0.000 1.044 17 T CA 0.992 63.115 62.100 0.039 0.000 1.139 17 T CB -0.307 68.571 68.868 0.018 0.000 0.867 17 T HN 0.263 nan 8.240 nan 0.000 0.454 18 V N 1.129 121.056 119.914 0.022 0.000 2.343 18 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 18 V C 1.953 178.015 176.094 -0.053 0.000 1.051 18 V CA 1.634 63.916 62.300 -0.030 0.000 1.036 18 V CB -0.766 31.041 31.823 -0.026 0.000 0.654 18 V HN 0.452 nan 8.190 nan 0.000 0.451 19 F N 0.745 120.625 119.950 -0.116 0.000 2.095 19 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 19 F C 2.267 177.993 175.800 -0.124 0.000 1.104 19 F CA 2.006 59.929 58.000 -0.128 0.000 1.232 19 F CB -0.269 38.680 39.000 -0.084 0.000 0.987 19 F HN -0.043 nan 8.300 nan 0.000 0.475 20 V N 0.539 120.572 119.914 0.199 0.000 2.392 20 V HA -0.279 3.840 4.120 -0.001 0.000 0.249 20 V C 2.374 178.438 176.094 -0.051 0.000 1.059 20 V CA 2.089 64.450 62.300 0.101 0.000 1.051 20 V CB -0.681 31.212 31.823 0.117 0.000 0.658 20 V HN 0.327 nan 8.190 nan 0.000 0.455 21 E N 0.196 120.340 120.200 -0.093 0.000 2.072 21 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 21 E C 2.417 178.877 176.600 -0.234 0.000 0.985 21 E CA 0.984 57.308 56.400 -0.127 0.000 0.801 21 E CB -0.341 29.284 29.700 -0.124 0.000 0.750 21 E HN 0.569 nan 8.360 nan 0.000 0.452 22 R N 0.575 120.809 120.500 -0.443 0.000 2.081 22 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 22 R C 2.387 178.483 176.300 -0.341 0.000 1.131 22 R CA 1.301 56.974 56.100 -0.711 0.000 0.960 22 R CB -0.316 29.307 30.300 -1.128 0.000 0.856 22 R HN 0.124 nan 8.270 nan 0.000 0.436 23 Q N 1.622 121.175 119.800 -0.411 0.000 2.061 23 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 23 Q C 1.664 177.613 176.000 -0.085 0.000 0.984 23 Q CA 1.815 57.436 55.803 -0.303 0.000 0.846 23 Q CB 0.015 28.540 28.738 -0.355 0.000 0.902 23 Q HN 0.196 nan 8.270 nan 0.000 0.421 24 K N -0.433 119.956 120.400 -0.019 0.000 2.148 24 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 24 K C 2.036 178.723 176.600 0.146 0.000 1.050 24 K CA 0.941 57.313 56.287 0.141 0.000 0.942 24 K CB 0.060 32.661 32.500 0.168 0.000 0.724 24 K HN 0.026 nan 8.250 nan 0.000 0.446 25 K N 0.626 121.070 120.400 0.073 0.000 2.001 25 K HA -0.100 4.219 4.320 -0.001 0.000 0.208 25 K C 2.286 179.037 176.600 0.251 0.000 1.048 25 K CA 1.461 57.794 56.287 0.076 0.000 0.932 25 K CB -0.610 31.906 32.500 0.027 0.000 0.715 25 K HN 0.162 nan 8.250 nan 0.000 0.437 26 V N -0.408 119.685 119.914 0.300 0.000 2.343 26 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 26 V C 2.231 178.537 176.094 0.354 0.000 1.051 26 V CA 1.478 63.987 62.300 0.348 0.000 1.036 26 V CB -0.849 31.107 31.823 0.221 0.000 0.654 26 V HN 0.127 nan 8.190 nan 0.000 0.451 27 L N 1.847 123.241 121.223 0.284 0.000 2.201 27 L HA -0.080 4.259 4.340 -0.001 0.000 0.212 27 L C 2.942 180.008 176.870 0.327 0.000 1.105 27 L CA 1.573 56.611 54.840 0.329 0.000 0.775 27 L CB -0.660 41.494 42.059 0.158 0.000 0.913 27 L HN 0.654 nan 8.230 nan 0.000 0.440 28 S N -0.299 115.573 115.700 0.286 0.000 2.469 28 S HA -0.119 4.350 4.470 -0.001 0.000 0.238 28 S C 1.571 176.227 174.600 0.093 0.000 0.998 28 S CA 0.683 59.037 58.200 0.257 0.000 0.957 28 S CB -0.172 63.198 63.200 0.284 0.000 0.764 28 S HN 0.273 nan 8.310 nan 0.000 0.514 29 L N -0.061 121.156 121.223 -0.010 0.000 2.628 29 L HA 0.520 4.859 4.340 -0.001 0.000 0.229 29 L C 0.435 177.139 176.870 -0.277 0.000 1.137 29 L CA 0.412 55.036 54.840 -0.359 0.000 0.909 29 L CB -0.708 41.025 42.059 -0.543 0.000 1.137 29 L HN 0.356 nan 8.230 nan 0.000 0.470 30 F N -0.965 118.981 119.950 -0.006 0.000 2.708 30 F HA 0.275 4.801 4.527 -0.001 0.000 0.300 30 F C 0.703 176.446 175.800 -0.096 0.000 1.118 30 F CA -0.452 57.534 58.000 -0.023 0.000 1.307 30 F CB 0.545 39.532 39.000 -0.020 0.000 0.986 30 F HN -0.019 nan 8.300 nan 0.000 0.522 31 Q N 0.246 120.024 119.800 -0.036 0.000 2.274 31 Q HA 0.142 4.482 4.340 -0.001 0.000 0.260 31 Q C -0.103 175.689 176.000 -0.347 0.000 0.974 31 Q CA -0.491 55.133 55.803 -0.299 0.000 0.876 31 Q CB 1.408 29.722 28.738 -0.708 0.000 1.297 31 Q HN 0.206 nan 8.270 nan 0.000 0.446 32 D N 0.630 120.831 120.400 -0.332 0.000 2.706 32 D HA -0.185 4.454 4.640 -0.001 0.000 0.230 32 D C 0.950 177.199 176.300 -0.085 0.000 1.184 32 D CA 0.864 54.760 54.000 -0.174 0.000 0.628 32 D CB -0.559 40.181 40.800 -0.101 0.000 1.019 32 D HN 0.489 nan 8.370 nan 0.000 0.415 33 V N -2.321 117.558 119.914 -0.058 0.000 2.439 33 V HA -0.264 3.856 4.120 -0.001 0.000 0.253 33 V C 1.658 177.769 176.094 0.029 0.000 1.074 33 V CA 2.221 64.521 62.300 -0.001 0.000 1.076 33 V CB -0.224 31.635 31.823 0.060 0.000 0.664 33 V HN 0.251 nan 8.190 nan 0.000 0.461 34 D N -0.251 120.159 120.400 0.017 0.000 2.328 34 D HA 0.179 4.818 4.640 -0.001 0.000 0.226 34 D C 0.772 177.142 176.300 0.117 0.000 1.066 34 D CA 0.550 54.598 54.000 0.079 0.000 0.861 34 D CB 0.394 41.253 40.800 0.098 0.000 0.912 34 D HN 0.760 nan 8.370 nan 0.000 0.521 35 Q N 0.029 119.879 119.800 0.084 0.000 2.421 35 Q HA 0.486 4.825 4.340 -0.001 0.000 0.280 35 Q C -1.397 174.686 176.000 0.138 0.000 1.085 35 Q CA -0.717 55.185 55.803 0.165 0.000 0.807 35 Q CB 2.127 30.988 28.738 0.205 0.000 1.405 35 Q HN -0.007 nan 8.270 nan 0.000 0.419 36 L N 2.278 123.594 121.223 0.155 0.000 2.322 36 L HA 0.505 4.844 4.340 -0.001 0.000 0.279 36 L C -0.441 176.510 176.870 0.136 0.000 1.036 36 L CA -0.798 54.162 54.840 0.199 0.000 0.807 36 L CB 1.547 43.730 42.059 0.206 0.000 1.226 36 L HN 0.555 nan 8.230 nan 0.000 0.433 37 N N 0.559 119.341 118.700 0.138 0.000 2.564 37 N HA 0.108 4.847 4.740 -0.001 0.000 0.248 37 N C 0.760 176.071 175.510 -0.332 0.000 0.986 37 N CA -0.275 52.756 53.050 -0.032 0.000 0.921 37 N CB 1.472 40.042 38.487 0.138 0.000 1.136 37 N HN 0.679 nan 8.380 nan 0.000 0.509 38 T N -0.066 114.165 114.554 -0.538 0.000 3.025 38 T HA -0.036 4.313 4.350 -0.001 0.000 0.270 38 T C 0.985 175.411 174.700 -0.457 0.000 1.126 38 T CA 0.808 62.369 62.100 -0.898 0.000 1.105 38 T CB 0.033 68.388 68.868 -0.856 0.000 0.884 38 T HN 0.327 nan 8.240 nan 0.000 0.522 39 N N 1.374 119.899 118.700 -0.292 0.000 2.463 39 N HA 0.063 4.802 4.740 -0.001 0.000 0.181 39 N C -0.288 175.127 175.510 -0.159 0.000 1.078 39 N CA 0.373 53.310 53.050 -0.190 0.000 0.902 39 N CB -0.008 38.388 38.487 -0.152 0.000 0.970 39 N HN 0.501 nan 8.380 nan 0.000 0.451 40 D N 0.347 120.622 120.400 -0.208 0.000 2.283 40 D HA 0.043 4.682 4.640 -0.001 0.000 0.248 40 D C 1.234 177.420 176.300 -0.190 0.000 1.072 40 D CA -0.247 53.654 54.000 -0.166 0.000 0.929 40 D CB 1.540 42.246 40.800 -0.156 0.000 1.182 40 D HN 0.036 nan 8.370 nan 0.000 0.433 41 E N 0.990 121.168 120.200 -0.036 0.000 2.110 41 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 41 E C 1.546 178.171 176.600 0.041 0.000 0.988 41 E CA 1.014 57.430 56.400 0.026 0.000 0.804 41 E CB -0.095 29.666 29.700 0.101 0.000 0.745 41 E HN 0.688 nan 8.360 nan 0.000 0.458 42 Y N -0.962 119.398 120.300 0.100 0.000 2.274 42 Y HA -0.229 4.320 4.550 -0.001 0.000 0.290 42 Y C 1.969 177.837 175.900 -0.054 0.000 1.145 42 Y CA 1.232 59.326 58.100 -0.011 0.000 1.203 42 Y CB -1.182 37.228 38.460 -0.084 0.000 0.984 42 Y HN 0.120 nan 8.280 nan 0.000 0.533 43 Y N 1.808 121.693 120.300 -0.690 0.000 2.089 43 Y HA -0.214 4.335 4.550 -0.001 0.000 0.282 43 Y C 2.645 178.434 175.900 -0.186 0.000 1.139 43 Y CA 2.490 60.324 58.100 -0.444 0.000 1.123 43 Y CB -0.488 37.655 38.460 -0.528 0.000 0.980 43 Y HN 0.164 nan 8.280 nan 0.000 0.493 44 K N 0.748 121.190 120.400 0.070 0.000 2.032 44 K HA -0.175 4.145 4.320 -0.001 0.000 0.209 44 K C 1.902 178.497 176.600 -0.009 0.000 1.048 44 K CA 2.167 58.483 56.287 0.049 0.000 0.927 44 K CB -0.782 31.761 32.500 0.071 0.000 0.712 44 K HN 0.545 nan 8.250 nan 0.000 0.441 45 I N -0.201 120.369 120.570 -0.000 0.000 2.127 45 I HA -0.213 3.957 4.170 -0.001 0.000 0.241 45 I C 2.324 178.444 176.117 0.005 0.000 1.075 45 I CA 1.655 62.961 61.300 0.011 0.000 1.334 45 I CB -0.736 37.267 38.000 0.006 0.000 1.040 45 I HN 0.426 nan 8.210 nan 0.000 0.405 46 G N 0.454 109.213 108.800 -0.069 0.000 2.422 46 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 46 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 46 G C 1.705 176.637 174.900 0.053 0.000 1.140 46 G CA 0.614 45.699 45.100 -0.025 0.000 0.775 46 G HN 0.303 nan 8.290 nan 0.000 0.545 47 K N 0.299 120.584 120.400 -0.191 0.000 2.057 47 K HA -0.086 4.233 4.320 -0.001 0.000 0.207 47 K C 1.355 178.029 176.600 0.124 0.000 1.049 47 K CA 1.602 57.776 56.287 -0.188 0.000 0.931 47 K CB 0.032 32.262 32.500 -0.449 0.000 0.714 47 K HN 0.147 nan 8.250 nan 0.000 0.440 48 D N -0.732 119.737 120.400 0.114 0.000 2.360 48 D HA -0.068 4.571 4.640 -0.001 0.000 0.210 48 D C -0.181 176.227 176.300 0.179 0.000 1.047 48 D CA -0.052 54.029 54.000 0.135 0.000 0.854 48 D CB -0.006 40.844 40.800 0.084 0.000 0.936 48 D HN 0.141 nan 8.370 nan 0.000 0.514 49 Y N 2.511 122.876 120.300 0.109 0.000 2.717 49 Y HA -0.002 4.548 4.550 -0.001 0.000 0.330 49 Y C 0.202 176.084 175.900 -0.029 0.000 1.217 49 Y CA -0.013 58.115 58.100 0.046 0.000 1.506 49 Y CB 0.418 38.912 38.460 0.056 0.000 1.268 49 Y HN -0.254 nan 8.280 nan 0.000 0.561 50 D N 7.106 127.097 120.400 -0.681 0.000 2.472 50 D HA 0.167 4.806 4.640 -0.001 0.000 0.234 50 D C 1.001 176.777 176.300 -0.873 0.000 1.088 50 D CA -0.126 53.514 54.000 -0.600 0.000 0.882 50 D CB 0.266 40.889 40.800 -0.295 0.000 1.037 50 D HN 0.748 nan 8.370 nan 0.000 0.520 51 I N 1.993 122.017 120.570 -0.911 0.000 2.099 51 I HA -0.289 3.881 4.170 -0.001 0.000 0.239 51 I C 2.239 178.169 176.117 -0.312 0.000 1.066 51 I CA 0.986 61.907 61.300 -0.631 0.000 1.324 51 I CB -0.045 37.600 38.000 -0.590 0.000 1.037 51 I HN 0.381 nan 8.210 nan 0.000 0.401 52 E N 1.428 121.473 120.200 -0.260 0.000 2.065 52 E HA -0.284 4.065 4.350 -0.001 0.000 0.201 52 E C 2.085 178.621 176.600 -0.108 0.000 1.016 52 E CA 2.111 58.425 56.400 -0.143 0.000 0.818 52 E CB -0.308 29.323 29.700 -0.115 0.000 0.749 52 E HN 0.451 nan 8.360 nan 0.000 0.453 53 A N -0.089 122.646 122.820 -0.142 0.000 1.978 53 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 53 A C 1.599 179.142 177.584 -0.068 0.000 1.170 53 A CA 1.889 53.865 52.037 -0.101 0.000 0.636 53 A CB -0.516 18.413 19.000 -0.118 0.000 0.810 53 A HN 0.373 nan 8.150 nan 0.000 0.448 54 N N -0.930 117.723 118.700 -0.078 0.000 2.235 54 N HA 0.232 4.971 4.740 -0.001 0.000 0.209 54 N C 1.000 176.591 175.510 0.134 0.000 1.122 54 N CA -0.064 52.993 53.050 0.012 0.000 0.845 54 N CB -0.029 38.475 38.487 0.029 0.000 1.004 54 N HN 0.527 nan 8.380 nan 0.000 0.499 55 I N 0.313 120.958 120.570 0.125 0.000 2.479 55 I HA -0.302 3.867 4.170 -0.001 0.000 0.258 55 I C 0.527 176.767 176.117 0.205 0.000 1.165 55 I CA 1.450 62.873 61.300 0.205 0.000 1.422 55 I CB 0.200 38.231 38.000 0.052 0.000 1.087 55 I HN 0.119 nan 8.210 nan 0.000 0.441 56 D N 0.898 121.353 120.400 0.092 0.000 2.363 56 D HA -0.055 4.585 4.640 -0.001 0.000 0.220 56 D C 0.953 177.253 176.300 -0.000 0.000 0.994 56 D CA 0.557 54.582 54.000 0.042 0.000 0.890 56 D CB -0.193 40.615 40.800 0.013 0.000 0.906 56 D HN 0.439 nan 8.370 nan 0.000 0.530 57 N N 0.049 118.710 118.700 -0.065 0.000 2.295 57 N HA 0.002 4.741 4.740 -0.001 0.000 0.221 57 N C -0.771 174.458 175.510 -0.467 0.000 1.129 57 N CA 0.026 52.927 53.050 -0.249 0.000 0.836 57 N CB 0.278 38.580 38.487 -0.308 0.000 1.040 57 N HN 0.206 nan 8.380 nan 0.000 0.494 58 Y N -0.568 119.740 120.300 0.013 0.000 2.409 58 Y HA 0.180 4.729 4.550 -0.001 0.000 0.343 58 Y C 1.685 177.577 175.900 -0.013 0.000 0.973 58 Y CA -0.988 57.125 58.100 0.022 0.000 1.064 58 Y CB 1.470 39.943 38.460 0.021 0.000 1.207 58 Y HN -0.066 nan 8.280 nan 0.000 0.452 59 T N -2.308 112.320 114.554 0.125 0.000 3.085 59 T HA -0.014 4.335 4.350 -0.001 0.000 0.263 59 T C 0.311 174.947 174.700 -0.107 0.000 1.127 59 T CA 0.673 62.785 62.100 0.020 0.000 1.103 59 T CB -0.326 68.567 68.868 0.043 0.000 0.921 59 T HN 0.599 nan 8.240 nan 0.000 0.510 60 N N 0.193 118.763 118.700 -0.216 0.000 2.609 60 N HA 0.321 5.060 4.740 -0.001 0.000 0.268 60 N C 0.758 176.132 175.510 -0.226 0.000 1.106 60 N CA -0.629 52.171 53.050 -0.416 0.000 0.823 60 N CB 0.973 38.754 38.487 -1.176 0.000 1.263 60 N HN -0.010 nan 8.380 nan 0.000 0.533 61 K N 1.436 121.768 120.400 -0.114 0.000 2.057 61 K HA -0.181 4.139 4.320 -0.001 0.000 0.207 61 K C 1.675 178.236 176.600 -0.064 0.000 1.049 61 K CA 0.950 57.201 56.287 -0.060 0.000 0.931 61 K CB 0.102 32.585 32.500 -0.029 0.000 0.714 61 K HN 0.452 nan 8.250 nan 0.000 0.440 62 K N 1.194 121.550 120.400 -0.072 0.000 2.063 62 K HA -0.164 4.156 4.320 -0.001 0.000 0.208 62 K C 2.131 178.723 176.600 -0.012 0.000 1.048 62 K CA 1.374 57.640 56.287 -0.035 0.000 0.928 62 K CB -0.134 32.347 32.500 -0.031 0.000 0.713 62 K HN 0.110 nan 8.250 nan 0.000 0.442 63 A N 0.749 123.535 122.820 -0.057 0.000 1.908 63 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 63 A C 2.241 179.880 177.584 0.091 0.000 1.181 63 A CA 1.749 53.811 52.037 0.041 0.000 0.627 63 A CB -0.605 18.378 19.000 -0.028 0.000 0.818 63 A HN 0.198 nan 8.150 nan 0.000 0.445 64 V N 0.010 119.912 119.914 -0.021 0.000 2.453 64 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 64 V C 2.331 178.430 176.094 0.009 0.000 1.048 64 V CA 2.118 64.360 62.300 -0.096 0.000 1.049 64 V CB -0.795 30.842 31.823 -0.310 0.000 0.672 64 V HN 0.635 nan 8.190 nan 0.000 0.457 65 E N -0.142 120.064 120.200 0.008 0.000 2.150 65 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 65 E C 1.871 178.512 176.600 0.068 0.000 0.985 65 E CA 1.258 57.674 56.400 0.027 0.000 0.814 65 E CB -0.132 29.575 29.700 0.010 0.000 0.752 65 E HN 0.607 nan 8.360 nan 0.000 0.466 66 D N 0.342 120.801 120.400 0.099 0.000 2.144 66 D HA -0.139 4.500 4.640 -0.001 0.000 0.200 66 D C 1.685 178.081 176.300 0.159 0.000 0.978 66 D CA 0.666 54.739 54.000 0.122 0.000 0.833 66 D CB -0.246 40.643 40.800 0.148 0.000 0.961 66 D HN 0.119 nan 8.370 nan 0.000 0.470 67 F N 1.592 121.584 119.950 0.070 0.000 2.134 67 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 67 F C 2.117 177.968 175.800 0.086 0.000 1.097 67 F CA 1.126 59.183 58.000 0.095 0.000 1.264 67 F CB -0.264 38.736 39.000 0.000 0.000 1.001 67 F HN -0.141 nan 8.300 nan 0.000 0.479 68 L N 0.411 121.699 121.223 0.108 0.000 2.056 68 L HA -0.218 4.122 4.340 -0.001 0.000 0.207 68 L C 2.622 179.490 176.870 -0.002 0.000 1.078 68 L CA 1.781 56.637 54.840 0.026 0.000 0.749 68 L CB -0.794 41.297 42.059 0.055 0.000 0.901 68 L HN 0.135 nan 8.230 nan 0.000 0.433 69 K N 0.199 120.610 120.400 0.018 0.000 2.097 69 K HA -0.228 4.091 4.320 -0.001 0.000 0.206 69 K C 2.196 178.808 176.600 0.020 0.000 1.049 69 K CA 1.515 57.814 56.287 0.020 0.000 0.933 69 K CB -0.004 32.514 32.500 0.031 0.000 0.717 69 K HN 0.195 nan 8.250 nan 0.000 0.442 70 M N -0.475 119.143 119.600 0.031 0.000 2.193 70 M HA -0.138 4.341 4.480 -0.001 0.000 0.265 70 M C 1.931 178.327 176.300 0.160 0.000 1.071 70 M CA 1.316 56.684 55.300 0.112 0.000 1.140 70 M CB -0.138 32.565 32.600 0.172 0.000 1.369 70 M HN 0.221 nan 8.290 nan 0.000 0.423 71 Y N 0.686 120.820 120.300 -0.276 0.000 2.352 71 Y HA -0.155 4.394 4.550 -0.001 0.000 0.292 71 Y C 1.976 177.733 175.900 -0.240 0.000 1.136 71 Y CA 1.596 59.350 58.100 -0.577 0.000 1.227 71 Y CB -0.057 37.784 38.460 -1.032 0.000 0.991 71 Y HN 0.155 nan 8.280 nan 0.000 0.545 72 R N -1.485 118.922 120.500 -0.155 0.000 2.189 72 R HA -0.103 4.237 4.340 -0.001 0.000 0.223 72 R C 1.871 178.085 176.300 -0.143 0.000 1.092 72 R CA 1.170 57.178 56.100 -0.154 0.000 0.989 72 R CB -0.498 29.778 30.300 -0.041 0.000 0.876 72 R HN 0.330 nan 8.270 nan 0.000 0.457 73 C N 0.075 119.328 119.300 -0.077 0.000 2.626 73 C HA 0.320 4.779 4.460 -0.001 0.000 0.266 73 C C 0.867 175.863 174.990 0.010 0.000 1.317 73 C CA 0.419 59.425 59.018 -0.019 0.000 1.716 73 C CB -0.991 26.763 27.740 0.024 0.000 1.819 73 C HN 0.725 nan 8.230 nan 0.000 0.578 74 G N 0.236 109.009 108.800 -0.046 0.000 2.788 74 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.686 74 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.686 74 G C -0.958 174.153 174.900 0.352 0.000 1.147 74 G CA -0.813 44.303 45.100 0.027 0.000 0.755 74 G HN 0.038 nan 8.290 nan 0.000 0.634 75 F N 0.353 120.254 119.950 -0.082 0.000 2.631 75 F HA 0.796 5.322 4.527 -0.001 0.000 0.350 75 F C 0.775 176.348 175.800 -0.378 0.000 1.080 75 F CA -1.456 56.514 58.000 -0.050 0.000 1.026 75 F CB 1.344 40.350 39.000 0.010 0.000 1.347 75 F HN 0.686 nan 8.300 nan 0.000 0.501 76 L N 5.486 126.455 121.223 -0.424 0.000 2.559 76 L HA 0.189 4.528 4.340 -0.001 0.000 0.282 76 L C -2.250 174.425 176.870 -0.326 0.000 1.232 76 L CA -0.782 53.564 54.840 -0.823 0.000 0.885 76 L CB -0.355 41.571 42.059 -0.222 0.000 1.131 76 L HN 0.230 nan 8.230 nan 0.000 0.498 77 P HA 0.118 nan 4.420 nan 0.000 0.276 77 P C -1.150 176.162 177.300 0.021 0.000 1.252 77 P CA -0.529 62.527 63.100 -0.074 0.000 0.802 77 P CB 0.588 32.267 31.700 -0.034 0.000 1.035 78 K N 0.481 120.899 120.400 0.030 0.000 2.319 78 K HA 0.025 4.344 4.320 -0.001 0.000 0.265 78 K C -0.023 176.635 176.600 0.097 0.000 1.000 78 K CA 0.367 56.617 56.287 -0.062 0.000 0.943 78 K CB -0.213 32.123 32.500 -0.272 0.000 0.950 78 K HN 0.483 nan 8.250 nan 0.000 0.485 79 Y N -2.236 118.224 120.300 0.266 0.000 4.174 79 Y HA -0.371 4.178 4.550 -0.001 0.000 0.342 79 Y C 0.308 176.561 175.900 0.588 0.000 1.178 79 Y CA 0.765 59.097 58.100 0.387 0.000 1.879 79 Y CB -1.793 36.812 38.460 0.240 0.000 0.896 79 Y HN 0.713 nan 8.280 nan 0.000 0.429 80 N N 2.423 121.430 118.700 0.512 0.000 2.482 80 N HA 0.088 4.827 4.740 -0.001 0.000 0.260 80 N C 0.081 175.815 175.510 0.373 0.000 1.236 80 N CA -0.352 52.921 53.050 0.373 0.000 0.938 80 N CB 0.369 38.943 38.487 0.146 0.000 1.128 80 N HN 0.118 nan 8.380 nan 0.000 0.448 81 E N 1.356 121.711 120.200 0.258 0.000 2.360 81 E HA 0.029 4.379 4.350 -0.001 0.000 0.269 81 E C -0.967 175.888 176.600 0.425 0.000 1.022 81 E CA 0.255 56.819 56.400 0.274 0.000 0.887 81 E CB 0.629 30.335 29.700 0.011 0.000 0.990 81 E HN 0.341 nan 8.360 nan 0.000 0.426 82 F N 1.769 121.965 119.950 0.411 0.000 2.469 82 F HA 0.388 4.914 4.527 -0.001 0.000 0.332 82 F C -0.358 175.676 175.800 0.390 0.000 1.103 82 F CA -0.474 57.746 58.000 0.366 0.000 0.979 82 F CB 1.530 40.696 39.000 0.276 0.000 1.137 82 F HN 0.194 nan 8.300 nan 0.000 0.463 83 S N 4.766 119.841 115.700 -1.042 0.000 2.546 83 S HA 0.318 4.788 4.470 -0.001 0.000 0.272 83 S C -0.218 173.654 174.600 -1.212 0.000 1.140 83 S CA -0.523 57.130 58.200 -0.912 0.000 0.920 83 S CB 1.666 64.576 63.200 -0.483 0.000 1.083 83 S HN 0.865 nan 8.310 nan 0.000 0.476 84 V N 5.021 124.319 119.914 -1.026 0.000 3.141 84 V HA 0.139 4.258 4.120 -0.001 0.000 0.265 84 V C 0.891 176.696 176.094 -0.483 0.000 1.126 84 V CA 1.403 63.279 62.300 -0.707 0.000 1.141 84 V CB -0.851 30.686 31.823 -0.477 0.000 0.743 84 V HN 0.860 nan 8.190 nan 0.000 0.492 85 F N -0.421 119.333 119.950 -0.326 0.000 2.780 85 F HA 0.198 4.725 4.527 -0.001 0.000 0.299 85 F C 1.151 176.575 175.800 -0.626 0.000 1.146 85 F CA -0.074 57.681 58.000 -0.408 0.000 1.428 85 F CB -0.323 38.349 39.000 -0.546 0.000 1.115 85 F HN 0.260 nan 8.300 nan 0.000 0.583 86 H N 0.483 119.364 119.070 -0.314 0.000 2.541 86 H HA 0.096 4.651 4.556 -0.001 0.000 0.316 86 H C 0.525 175.721 175.328 -0.220 0.000 1.043 86 H CA -0.692 55.162 56.048 -0.325 0.000 1.232 86 H CB 1.071 30.522 29.762 -0.518 0.000 1.406 86 H HN 0.003 nan 8.280 nan 0.000 0.469 87 D N 2.974 123.320 120.400 -0.089 0.000 2.797 87 D HA -0.255 4.385 4.640 -0.001 0.000 0.222 87 D C 1.807 178.060 176.300 -0.078 0.000 1.070 87 D CA 1.790 55.743 54.000 -0.078 0.000 0.926 87 D CB 0.299 41.053 40.800 -0.077 0.000 1.136 87 D HN 0.364 nan 8.370 nan 0.000 0.487 88 K N -0.306 120.052 120.400 -0.070 0.000 2.074 88 K HA -0.111 4.208 4.320 -0.001 0.000 0.209 88 K C 2.092 178.672 176.600 -0.034 0.000 1.048 88 K CA 0.575 56.821 56.287 -0.069 0.000 0.926 88 K CB -0.650 31.791 32.500 -0.099 0.000 0.713 88 K HN 0.089 nan 8.250 nan 0.000 0.444 89 L N 0.354 121.585 121.223 0.013 0.000 2.046 89 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 89 L C 2.356 179.264 176.870 0.064 0.000 1.077 89 L CA 1.647 56.533 54.840 0.077 0.000 0.747 89 L CB -0.597 41.443 42.059 -0.031 0.000 0.896 89 L HN 0.160 nan 8.230 nan 0.000 0.432 90 R N -0.329 120.122 120.500 -0.082 0.000 2.066 90 R HA -0.154 4.186 4.340 -0.001 0.000 0.232 90 R C 1.900 178.066 176.300 -0.225 0.000 1.131 90 R CA 1.591 57.599 56.100 -0.152 0.000 0.955 90 R CB -0.207 29.983 30.300 -0.183 0.000 0.851 90 R HN 0.306 nan 8.270 nan 0.000 0.432 91 D N 0.494 120.781 120.400 -0.189 0.000 2.182 91 D HA -0.169 4.470 4.640 -0.001 0.000 0.201 91 D C 1.649 177.830 176.300 -0.198 0.000 0.986 91 D CA 1.353 55.237 54.000 -0.194 0.000 0.847 91 D CB -0.049 40.674 40.800 -0.129 0.000 0.942 91 D HN 0.487 nan 8.370 nan 0.000 0.467 92 E N 0.565 120.618 120.200 -0.246 0.000 2.046 92 E HA -0.043 4.306 4.350 -0.001 0.000 0.190 92 E C 2.181 178.711 176.600 -0.118 0.000 0.982 92 E CA 0.777 56.915 56.400 -0.437 0.000 0.800 92 E CB -0.027 29.119 29.700 -0.923 0.000 0.756 92 E HN 0.162 nan 8.360 nan 0.000 0.449 93 A N 1.424 124.218 122.820 -0.043 0.000 1.908 93 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 93 A C 2.183 179.732 177.584 -0.058 0.000 1.181 93 A CA 1.136 53.204 52.037 0.052 0.000 0.627 93 A CB -0.624 18.499 19.000 0.205 0.000 0.818 93 A HN 0.136 nan 8.150 nan 0.000 0.445 94 I N -0.433 119.942 120.570 -0.326 0.000 2.252 94 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 94 I C 2.982 178.907 176.117 -0.320 0.000 1.102 94 I CA 0.988 61.935 61.300 -0.589 0.000 1.385 94 I CB -0.382 37.085 38.000 -0.889 0.000 1.064 94 I HN 0.362 nan 8.210 nan 0.000 0.414 95 A N 0.780 123.547 122.820 -0.089 0.000 1.902 95 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 95 A C 2.395 180.146 177.584 0.279 0.000 1.181 95 A CA 1.373 53.516 52.037 0.176 0.000 0.623 95 A CB -0.833 18.358 19.000 0.318 0.000 0.818 95 A HN 0.439 nan 8.150 nan 0.000 0.443 96 L N -1.648 119.732 121.223 0.262 0.000 2.046 96 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 96 L C 2.435 179.083 176.870 -0.371 0.000 1.077 96 L CA 2.060 56.902 54.840 0.004 0.000 0.747 96 L CB -0.396 41.709 42.059 0.077 0.000 0.896 96 L HN 0.530 nan 8.230 nan 0.000 0.432 97 F N 0.390 120.175 119.950 -0.275 0.000 2.134 97 F HA -0.252 4.274 4.527 -0.001 0.000 0.299 97 F C 2.310 178.083 175.800 -0.045 0.000 1.097 97 F CA 1.802 59.683 58.000 -0.198 0.000 1.264 97 F CB -0.556 38.316 39.000 -0.212 0.000 1.001 97 F HN 0.192 nan 8.300 nan 0.000 0.479 98 H N -0.647 118.261 119.070 -0.270 0.000 2.421 98 H HA -0.144 4.411 4.556 -0.001 0.000 0.298 98 H C 2.411 177.673 175.328 -0.110 0.000 1.087 98 H CA 0.914 56.832 56.048 -0.217 0.000 1.330 98 H CB -0.095 29.778 29.762 0.186 0.000 1.388 98 H HN 0.284 nan 8.280 nan 0.000 0.526 99 L N 0.357 121.528 121.223 -0.087 0.000 2.056 99 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 99 L C 1.626 178.580 176.870 0.140 0.000 1.078 99 L CA 1.581 56.296 54.840 -0.208 0.000 0.749 99 L CB -0.435 41.178 42.059 -0.743 0.000 0.901 99 L HN 0.229 nan 8.230 nan 0.000 0.433 100 F N -0.911 119.035 119.950 -0.007 0.000 2.163 100 F HA -0.184 4.342 4.527 -0.001 0.000 0.297 100 F C 2.592 178.399 175.800 0.012 0.000 1.094 100 F CA 0.618 58.720 58.000 0.170 0.000 1.290 100 F CB -1.525 37.643 39.000 0.281 0.000 1.017 100 F HN 0.095 nan 8.300 nan 0.000 0.483 101 Y N -1.165 118.948 120.300 -0.311 0.000 2.293 101 Y HA -0.267 4.282 4.550 -0.001 0.000 0.291 101 Y C 1.763 177.457 175.900 -0.342 0.000 1.137 101 Y CA 1.455 59.218 58.100 -0.561 0.000 1.202 101 Y CB -0.334 37.382 38.460 -1.240 0.000 0.990 101 Y HN -0.042 nan 8.280 nan 0.000 0.537 102 Y N 0.214 120.501 120.300 -0.022 0.000 2.490 102 Y HA 0.337 4.886 4.550 -0.001 0.000 0.281 102 Y C 1.216 177.182 175.900 0.110 0.000 1.174 102 Y CA -0.381 57.708 58.100 -0.019 0.000 1.295 102 Y CB -0.874 37.621 38.460 0.058 0.000 1.062 102 Y HN 0.066 nan 8.280 nan 0.000 0.522 103 A N 1.483 124.463 122.820 0.267 0.000 2.546 103 A HA 0.009 4.328 4.320 -0.001 0.000 0.243 103 A C 1.714 179.277 177.584 -0.035 0.000 1.063 103 A CA 0.030 52.111 52.037 0.074 0.000 0.757 103 A CB 0.237 19.321 19.000 0.139 0.000 0.991 103 A HN 0.625 nan 8.150 nan 0.000 0.503 104 K N 1.194 121.518 120.400 -0.127 0.000 2.148 104 K HA -0.089 4.230 4.320 -0.001 0.000 0.204 104 K C -0.221 176.354 176.600 -0.040 0.000 1.050 104 K CA 1.542 57.786 56.287 -0.072 0.000 0.942 104 K CB -0.179 32.269 32.500 -0.087 0.000 0.724 104 K HN 0.810 nan 8.250 nan 0.000 0.446 105 D N -2.152 118.233 120.400 -0.026 0.000 2.626 105 D HA 0.050 4.689 4.640 -0.001 0.000 0.278 105 D C 0.203 176.571 176.300 0.113 0.000 1.211 105 D CA -0.914 53.112 54.000 0.044 0.000 0.903 105 D CB -0.055 40.771 40.800 0.044 0.000 1.408 105 D HN -0.107 nan 8.370 nan 0.000 0.454 106 F N 0.642 120.624 119.950 0.052 0.000 2.120 106 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 106 F C 1.671 177.570 175.800 0.165 0.000 1.095 106 F CA 1.966 60.052 58.000 0.144 0.000 1.249 106 F CB -0.016 39.032 39.000 0.081 0.000 0.995 106 F HN 0.368 nan 8.300 nan 0.000 0.480 107 D N -0.602 119.898 120.400 0.167 0.000 2.104 107 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 107 D C 2.143 178.402 176.300 -0.069 0.000 0.994 107 D CA 2.099 56.135 54.000 0.061 0.000 0.830 107 D CB -0.166 40.681 40.800 0.078 0.000 0.959 107 D HN 0.295 nan 8.370 nan 0.000 0.452 108 T N 0.509 115.015 114.554 -0.080 0.000 2.821 108 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 108 T C 1.636 176.240 174.700 -0.161 0.000 1.046 108 T CA 0.642 62.646 62.100 -0.161 0.000 1.139 108 T CB -0.391 68.327 68.868 -0.250 0.000 0.871 108 T HN 0.162 nan 8.240 nan 0.000 0.454 109 F N 1.374 121.176 119.950 -0.246 0.000 2.075 109 F HA -0.135 4.391 4.527 -0.001 0.000 0.297 109 F C 2.112 177.675 175.800 -0.395 0.000 1.113 109 F CA 0.838 58.676 58.000 -0.270 0.000 1.218 109 F CB -0.907 37.900 39.000 -0.321 0.000 0.984 109 F HN 0.190 nan 8.300 nan 0.000 0.472 110 Y N 1.448 121.150 120.300 -0.997 0.000 2.207 110 Y HA -0.184 4.365 4.550 -0.001 0.000 0.287 110 Y C 2.308 177.791 175.900 -0.695 0.000 1.156 110 Y CA 2.233 59.735 58.100 -0.997 0.000 1.182 110 Y CB -0.547 37.485 38.460 -0.713 0.000 0.979 110 Y HN 0.099 nan 8.280 nan 0.000 0.521 111 K N -0.726 119.271 120.400 -0.671 0.000 2.155 111 K HA -0.092 4.227 4.320 -0.001 0.000 0.203 111 K C 2.287 178.377 176.600 -0.850 0.000 1.052 111 K CA 1.228 57.002 56.287 -0.855 0.000 0.948 111 K CB -0.126 31.770 32.500 -1.005 0.000 0.728 111 K HN 0.188 nan 8.250 nan 0.000 0.448 112 S N 0.975 116.331 115.700 -0.574 0.000 2.355 112 S HA -0.130 4.339 4.470 -0.001 0.000 0.222 112 S C 2.118 176.722 174.600 0.006 0.000 1.031 112 S CA 1.254 59.395 58.200 -0.099 0.000 0.993 112 S CB -0.152 63.184 63.200 0.226 0.000 0.859 112 S HN 0.425 nan 8.310 nan 0.000 0.453 113 A N 1.466 123.935 122.820 -0.585 0.000 1.930 113 A HA 0.152 4.471 4.320 -0.001 0.000 0.217 113 A C 2.321 179.543 177.584 -0.604 0.000 1.175 113 A CA 1.629 53.223 52.037 -0.737 0.000 0.627 113 A CB -0.988 17.231 19.000 -1.300 0.000 0.815 113 A HN 0.501 nan 8.150 nan 0.000 0.443 114 A N -0.988 121.391 122.820 -0.735 0.000 1.902 114 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 114 A C 2.044 179.435 177.584 -0.322 0.000 1.181 114 A CA 1.566 53.233 52.037 -0.617 0.000 0.623 114 A CB -0.746 17.862 19.000 -0.654 0.000 0.818 114 A HN 0.721 nan 8.150 nan 0.000 0.443 115 F N 1.141 120.923 119.950 -0.280 0.000 2.095 115 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 115 F C 2.488 178.296 175.800 0.013 0.000 1.104 115 F CA 1.430 59.421 58.000 -0.016 0.000 1.232 115 F CB -0.487 38.568 39.000 0.093 0.000 0.987 115 F HN 0.249 nan 8.300 nan 0.000 0.475 116 A N 0.544 123.388 122.820 0.040 0.000 1.877 116 A HA -0.227 4.093 4.320 -0.001 0.000 0.216 116 A C 2.203 179.548 177.584 -0.397 0.000 1.186 116 A CA 1.912 53.956 52.037 0.012 0.000 0.620 116 A CB -0.880 18.449 19.000 0.549 0.000 0.822 116 A HN 0.438 nan 8.150 nan 0.000 0.443 117 R N -0.082 119.848 120.500 -0.950 0.000 2.105 117 R HA -0.097 4.242 4.340 -0.001 0.000 0.239 117 R C 1.745 177.674 176.300 -0.619 0.000 1.135 117 R CA 2.219 57.542 56.100 -1.295 0.000 0.967 117 R CB -1.044 28.338 30.300 -1.531 0.000 0.861 117 R HN 0.280 nan 8.270 nan 0.000 0.442 118 V N 0.239 119.846 119.914 -0.512 0.000 2.283 118 V HA -0.189 3.931 4.120 -0.001 0.000 0.243 118 V C 2.162 177.922 176.094 -0.556 0.000 1.039 118 V CA 2.035 64.028 62.300 -0.513 0.000 1.016 118 V CB -0.651 30.731 31.823 -0.735 0.000 0.650 118 V HN 0.467 nan 8.190 nan 0.000 0.449 119 H N -0.800 117.994 119.070 -0.459 0.000 2.482 119 H HA 0.260 4.815 4.556 -0.001 0.000 0.286 119 H C 0.861 176.091 175.328 -0.163 0.000 1.017 119 H CA 0.426 56.265 56.048 -0.348 0.000 1.322 119 H CB 0.274 29.689 29.762 -0.578 0.000 1.426 119 H HN 0.300 nan 8.280 nan 0.000 0.546 120 L N 0.828 122.030 121.223 -0.033 0.000 2.376 120 L HA 0.172 4.511 4.340 -0.001 0.000 0.267 120 L C 1.104 178.011 176.870 0.061 0.000 1.035 120 L CA -0.874 54.018 54.840 0.087 0.000 0.800 120 L CB 0.860 43.044 42.059 0.207 0.000 1.290 120 L HN 0.129 nan 8.230 nan 0.000 0.462 121 N N 1.337 120.112 118.700 0.125 0.000 2.412 121 N HA -0.076 4.663 4.740 -0.001 0.000 0.254 121 N C 0.799 176.401 175.510 0.153 0.000 1.232 121 N CA -0.213 52.903 53.050 0.110 0.000 0.880 121 N CB 1.169 39.750 38.487 0.157 0.000 1.076 121 N HN 0.645 nan 8.380 nan 0.000 0.458 122 Q N 3.792 123.670 119.800 0.130 0.000 2.061 122 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 122 Q C 1.754 177.946 176.000 0.321 0.000 0.984 122 Q CA 2.040 57.968 55.803 0.208 0.000 0.846 122 Q CB -1.119 27.714 28.738 0.158 0.000 0.902 122 Q HN 0.794 nan 8.270 nan 0.000 0.421 123 G N 1.055 110.058 108.800 0.338 0.000 2.402 123 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.216 123 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.216 123 G C 1.464 176.428 174.900 0.107 0.000 1.162 123 G CA 0.807 46.153 45.100 0.410 0.000 0.777 123 G HN 0.498 nan 8.290 nan 0.000 0.539 124 Q N -0.711 119.001 119.800 -0.147 0.000 2.084 124 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 124 Q C 2.154 178.092 176.000 -0.104 0.000 0.978 124 Q CA 1.454 56.884 55.803 -0.622 0.000 0.844 124 Q CB -0.272 28.341 28.738 -0.208 0.000 0.898 124 Q HN 0.540 nan 8.270 nan 0.000 0.426 125 F N 0.361 120.329 119.950 0.030 0.000 2.113 125 F HA -0.149 4.378 4.527 -0.001 0.000 0.297 125 F C 1.625 177.562 175.800 0.228 0.000 1.103 125 F CA 1.158 59.233 58.000 0.124 0.000 1.248 125 F CB -0.186 38.833 39.000 0.031 0.000 0.999 125 F HN 0.026 nan 8.300 nan 0.000 0.475 126 L N -0.575 120.571 121.223 -0.129 0.000 2.079 126 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 126 L C 2.420 179.495 176.870 0.342 0.000 1.081 126 L CA 1.766 56.597 54.840 -0.015 0.000 0.752 126 L CB -1.027 41.250 42.059 0.364 0.000 0.896 126 L HN 0.331 nan 8.230 nan 0.000 0.433 127 Y N 0.562 121.009 120.300 0.244 0.000 2.145 127 Y HA -0.267 4.282 4.550 -0.001 0.000 0.286 127 Y C 2.462 178.499 175.900 0.229 0.000 1.145 127 Y CA 1.480 59.766 58.100 0.310 0.000 1.148 127 Y CB -0.249 38.281 38.460 0.115 0.000 0.981 127 Y HN 0.087 nan 8.280 nan 0.000 0.507 128 A N -0.960 121.955 122.820 0.159 0.000 1.968 128 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 128 A C 2.061 179.876 177.584 0.386 0.000 1.169 128 A CA 1.351 53.502 52.037 0.189 0.000 0.638 128 A CB -1.351 17.759 19.000 0.182 0.000 0.812 128 A HN 0.679 nan 8.150 nan 0.000 0.446 129 Y N -0.969 119.364 120.300 0.054 0.000 2.133 129 Y HA -0.216 4.333 4.550 -0.001 0.000 0.287 129 Y C 2.127 178.038 175.900 0.017 0.000 1.134 129 Y CA 1.440 59.468 58.100 -0.120 0.000 1.133 129 Y CB -0.875 37.037 38.460 -0.912 0.000 0.987 129 Y HN 0.411 nan 8.280 nan 0.000 0.502 130 Y N -0.138 120.170 120.300 0.014 0.000 2.114 130 Y HA -0.321 4.228 4.550 -0.001 0.000 0.282 130 Y C 2.491 178.305 175.900 -0.143 0.000 1.165 130 Y CA 2.145 60.248 58.100 0.005 0.000 1.148 130 Y CB -0.380 38.182 38.460 0.170 0.000 0.972 130 Y HN 0.079 nan 8.280 nan 0.000 0.504 131 I N -0.890 119.665 120.570 -0.025 0.000 2.252 131 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 131 I C 2.593 178.702 176.117 -0.013 0.000 1.102 131 I CA 0.983 62.154 61.300 -0.215 0.000 1.385 131 I CB -0.659 37.013 38.000 -0.548 0.000 1.064 131 I HN 0.191 nan 8.210 nan 0.000 0.414 132 A N 1.280 124.229 122.820 0.215 0.000 1.908 132 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 132 A C 2.300 179.845 177.584 -0.066 0.000 1.181 132 A CA 1.546 53.732 52.037 0.247 0.000 0.627 132 A CB -0.874 18.370 19.000 0.407 0.000 0.818 132 A HN 0.393 nan 8.150 nan 0.000 0.445 133 I N -0.102 120.379 120.570 -0.147 0.000 2.361 133 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 133 I C 2.030 178.052 176.117 -0.158 0.000 1.133 133 I CA 0.820 61.987 61.300 -0.222 0.000 1.413 133 I CB -0.208 37.633 38.000 -0.264 0.000 1.073 133 I HN 0.279 nan 8.210 nan 0.000 0.424 134 I N 0.114 120.603 120.570 -0.134 0.000 2.333 134 I HA -0.160 4.009 4.170 -0.001 0.000 0.246 134 I C 2.423 178.570 176.117 0.050 0.000 1.106 134 I CA 1.281 62.506 61.300 -0.125 0.000 1.411 134 I CB -1.036 36.837 38.000 -0.211 0.000 1.082 134 I HN 0.311 nan 8.210 nan 0.000 0.420 135 Q N 0.651 120.506 119.800 0.091 0.000 2.212 135 Q HA 0.052 4.391 4.340 -0.001 0.000 0.199 135 Q C 0.946 177.139 176.000 0.323 0.000 0.950 135 Q CA 0.372 56.314 55.803 0.231 0.000 0.863 135 Q CB -0.198 28.633 28.738 0.155 0.000 0.944 135 Q HN 0.441 nan 8.270 nan 0.000 0.465 136 R N 1.659 122.273 120.500 0.189 0.000 2.449 136 R HA 0.057 4.396 4.340 -0.001 0.000 0.296 136 R C 1.303 177.644 176.300 0.069 0.000 1.047 136 R CA 0.086 56.229 56.100 0.073 0.000 1.018 136 R CB 0.563 30.744 30.300 -0.199 0.000 0.962 136 R HN 0.089 nan 8.270 nan 0.000 0.428 137 K N 1.836 122.270 120.400 0.056 0.000 2.057 137 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 137 K C 1.253 177.902 176.600 0.081 0.000 1.049 137 K CA 2.092 58.416 56.287 0.063 0.000 0.931 137 K CB -0.042 32.464 32.500 0.010 0.000 0.714 137 K HN 0.661 nan 8.250 nan 0.000 0.440 138 D N -0.059 120.364 120.400 0.039 0.000 2.351 138 D HA -0.118 4.522 4.640 -0.001 0.000 0.216 138 D C 1.110 177.448 176.300 0.064 0.000 0.968 138 D CA 1.266 55.302 54.000 0.059 0.000 0.899 138 D CB -0.358 40.486 40.800 0.073 0.000 0.907 138 D HN 0.207 nan 8.370 nan 0.000 0.514 139 T N -4.314 110.267 114.554 0.044 0.000 3.129 139 T HA 0.086 4.435 4.350 -0.001 0.000 0.267 139 T C 0.274 174.991 174.700 0.029 0.000 1.018 139 T CA -0.832 61.269 62.100 0.001 0.000 0.903 139 T CB -0.914 67.914 68.868 -0.067 0.000 1.067 139 T HN 0.155 nan 8.240 nan 0.000 0.549 140 Y N 2.694 123.002 120.300 0.012 0.000 2.810 140 Y HA 0.327 4.876 4.550 -0.001 0.000 0.332 140 Y C 1.493 177.456 175.900 0.106 0.000 1.243 140 Y CA 1.061 59.189 58.100 0.046 0.000 1.537 140 Y CB -0.248 38.243 38.460 0.052 0.000 1.265 140 Y HN 0.444 nan 8.280 nan 0.000 0.572 141 G N 5.273 113.654 108.800 -0.699 0.000 2.225 141 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.254 141 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.254 141 G C 0.064 174.978 174.900 0.023 0.000 0.988 141 G CA 0.009 44.862 45.100 -0.412 0.000 0.625 141 G HN 0.636 nan 8.290 nan 0.000 0.527 142 I N 1.967 122.520 120.570 -0.030 0.000 2.668 142 I HA 0.138 4.308 4.170 -0.001 0.000 0.285 142 I C 1.353 177.395 176.117 -0.125 0.000 1.168 142 I CA -0.077 61.137 61.300 -0.144 0.000 1.424 142 I CB 0.786 38.631 38.000 -0.259 0.000 1.377 142 I HN -0.043 nan 8.210 nan 0.000 0.560 143 V N 8.101 127.975 119.914 -0.067 0.000 2.572 143 V HA 0.104 4.224 4.120 -0.001 0.000 0.291 143 V C 0.552 176.553 176.094 -0.154 0.000 1.039 143 V CA -0.402 61.840 62.300 -0.097 0.000 1.055 143 V CB 0.863 32.659 31.823 -0.046 0.000 0.969 143 V HN 0.402 nan 8.190 nan 0.000 0.482 144 L N 7.966 129.089 121.223 -0.166 0.000 2.307 144 L HA 0.460 4.799 4.340 -0.001 0.000 0.282 144 L C -1.901 174.873 176.870 -0.161 0.000 1.051 144 L CA -1.737 53.001 54.840 -0.170 0.000 0.804 144 L CB 1.549 43.620 42.059 0.021 0.000 1.197 144 L HN 0.462 nan 8.230 nan 0.000 0.431 145 P HA 0.083 nan 4.420 nan 0.000 0.271 145 P C -0.656 176.519 177.300 -0.208 0.000 1.218 145 P CA -0.456 62.433 63.100 -0.353 0.000 0.780 145 P CB 0.890 32.225 31.700 -0.609 0.000 0.901 146 A N 4.577 127.242 122.820 -0.258 0.000 2.546 146 A HA 0.151 4.470 4.320 -0.001 0.000 0.243 146 A C -1.215 175.970 177.584 -0.666 0.000 1.063 146 A CA -0.715 51.006 52.037 -0.526 0.000 0.757 146 A CB -1.085 17.279 19.000 -1.060 0.000 0.991 146 A HN 0.399 nan 8.150 nan 0.000 0.503 147 P HA -0.206 nan 4.420 nan 0.000 0.217 147 P C 0.789 177.671 177.300 -0.697 0.000 1.148 147 P CA 1.952 64.696 63.100 -0.593 0.000 0.828 147 P CB -0.174 31.088 31.700 -0.729 0.000 0.783 148 Y N -1.416 118.218 120.300 -1.111 0.000 2.571 148 Y HA 0.072 4.621 4.550 -0.001 0.000 0.294 148 Y C 2.109 177.773 175.900 -0.393 0.000 1.141 148 Y CA 0.389 57.723 58.100 -1.277 0.000 1.308 148 Y CB -1.238 36.229 38.460 -1.655 0.000 1.002 148 Y HN 0.038 nan 8.280 nan 0.000 0.551 149 E N 0.561 120.615 120.200 -0.243 0.000 2.190 149 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 149 E C 1.725 178.315 176.600 -0.017 0.000 0.978 149 E CA 0.512 56.941 56.400 0.048 0.000 0.839 149 E CB 0.195 29.877 29.700 -0.029 0.000 0.787 149 E HN 0.431 nan 8.360 nan 0.000 0.473 150 I N 0.260 120.728 120.570 -0.171 0.000 2.703 150 I HA -0.107 4.062 4.170 -0.001 0.000 0.259 150 I C 0.440 176.403 176.117 -0.256 0.000 1.151 150 I CA 0.908 62.052 61.300 -0.260 0.000 1.470 150 I CB -0.240 37.498 38.000 -0.438 0.000 1.112 150 I HN 0.101 nan 8.210 nan 0.000 0.437 151 Y N 1.737 122.098 120.300 0.102 0.000 2.557 151 Y HA 0.314 4.863 4.550 -0.001 0.000 0.352 151 Y C -1.395 174.669 175.900 0.274 0.000 0.918 151 Y CA -2.361 55.846 58.100 0.178 0.000 1.232 151 Y CB -0.394 38.177 38.460 0.185 0.000 1.235 151 Y HN 0.043 nan 8.280 nan 0.000 0.596 152 P HA -0.259 nan 4.420 nan 0.000 0.217 152 P C 1.082 178.544 177.300 0.270 0.000 1.148 152 P CA 1.730 65.056 63.100 0.376 0.000 0.828 152 P CB 0.429 32.309 31.700 0.300 0.000 0.783 153 E N 0.341 120.643 120.200 0.170 0.000 2.478 153 E HA -0.086 4.263 4.350 -0.001 0.000 0.198 153 E C 1.619 178.188 176.600 -0.050 0.000 1.046 153 E CA 0.611 57.028 56.400 0.027 0.000 0.870 153 E CB -0.841 28.857 29.700 -0.003 0.000 0.818 153 E HN 0.362 nan 8.360 nan 0.000 0.527 154 L N -1.081 120.157 121.223 0.025 0.000 2.766 154 L HA 0.283 4.622 4.340 -0.001 0.000 0.242 154 L C 0.828 177.491 176.870 -0.344 0.000 1.136 154 L CA -0.089 54.621 54.840 -0.216 0.000 0.933 154 L CB 0.175 42.037 42.059 -0.328 0.000 1.241 154 L HN -0.071 nan 8.230 nan 0.000 0.522 155 F N -1.112 118.844 119.950 0.011 0.000 2.706 155 F HA 0.310 4.836 4.527 -0.001 0.000 0.313 155 F C 0.200 176.051 175.800 0.086 0.000 1.096 155 F CA -0.114 57.913 58.000 0.045 0.000 1.219 155 F CB 1.241 40.266 39.000 0.042 0.000 1.051 155 F HN -0.251 nan 8.300 nan 0.000 0.568 156 V N 0.689 120.711 119.914 0.180 0.000 2.841 156 V HA 0.416 4.535 4.120 -0.001 0.000 0.310 156 V C -0.810 175.262 176.094 -0.036 0.000 1.090 156 V CA -0.900 61.470 62.300 0.116 0.000 0.930 156 V CB 1.741 33.655 31.823 0.152 0.000 1.014 156 V HN -0.030 nan 8.190 nan 0.000 0.425 157 N N 4.235 122.906 118.700 -0.049 0.000 2.453 157 N HA 0.182 4.921 4.740 -0.001 0.000 0.253 157 N C 1.457 176.832 175.510 -0.225 0.000 1.252 157 N CA 0.420 53.396 53.050 -0.124 0.000 0.917 157 N CB 0.945 39.395 38.487 -0.063 0.000 1.117 157 N HN 0.768 nan 8.380 nan 0.000 0.442 158 I N -1.230 119.142 120.570 -0.331 0.000 2.315 158 I HA -0.281 3.889 4.170 -0.001 0.000 0.251 158 I C 1.768 177.521 176.117 -0.607 0.000 1.125 158 I CA 1.448 62.392 61.300 -0.593 0.000 1.392 158 I CB -0.417 37.128 38.000 -0.758 0.000 1.065 158 I HN 0.517 nan 8.210 nan 0.000 0.424 159 D N 1.463 121.681 120.400 -0.303 0.000 2.182 159 D HA -0.287 4.353 4.640 -0.001 0.000 0.201 159 D C 2.096 178.338 176.300 -0.097 0.000 0.986 159 D CA 2.244 56.162 54.000 -0.136 0.000 0.847 159 D CB -0.423 40.358 40.800 -0.030 0.000 0.942 159 D HN 0.544 nan 8.370 nan 0.000 0.467 160 T N -1.442 113.030 114.554 -0.137 0.000 3.035 160 T HA -0.021 4.328 4.350 -0.001 0.000 0.259 160 T C 2.015 176.540 174.700 -0.291 0.000 1.078 160 T CA 1.436 63.461 62.100 -0.125 0.000 1.132 160 T CB -0.339 68.488 68.868 -0.068 0.000 0.900 160 T HN 0.032 nan 8.240 nan 0.000 0.480 161 T N 1.080 115.406 114.554 -0.380 0.000 2.746 161 T HA -0.028 4.322 4.350 -0.001 0.000 0.267 161 T C 1.366 175.661 174.700 -0.675 0.000 1.039 161 T CA 1.275 63.028 62.100 -0.578 0.000 1.142 161 T CB -0.469 68.030 68.868 -0.616 0.000 0.866 161 T HN 0.426 nan 8.240 nan 0.000 0.444 162 Y N 1.599 121.625 120.300 -0.456 0.000 2.352 162 Y HA 0.063 4.612 4.550 -0.001 0.000 0.292 162 Y C 2.271 178.099 175.900 -0.121 0.000 1.136 162 Y CA 0.064 58.018 58.100 -0.243 0.000 1.227 162 Y CB -0.472 37.952 38.460 -0.061 0.000 0.991 162 Y HN 0.233 nan 8.280 nan 0.000 0.545 163 K N -0.626 119.780 120.400 0.010 0.000 2.103 163 K HA -0.119 4.200 4.320 -0.001 0.000 0.204 163 K C 2.080 178.680 176.600 -0.001 0.000 1.052 163 K CA 1.262 57.589 56.287 0.067 0.000 0.945 163 K CB -0.172 32.427 32.500 0.165 0.000 0.722 163 K HN 0.268 nan 8.250 nan 0.000 0.443 164 M N -0.261 119.139 119.600 -0.334 0.000 2.175 164 M HA -0.103 4.376 4.480 -0.001 0.000 0.264 164 M C 1.666 178.005 176.300 0.066 0.000 1.063 164 M CA 1.321 56.409 55.300 -0.354 0.000 1.119 164 M CB -0.215 32.062 32.600 -0.540 0.000 1.377 164 M HN 0.031 nan 8.290 nan 0.000 0.415 165 F N 0.536 120.491 119.950 0.009 0.000 2.134 165 F HA -0.156 4.370 4.527 -0.001 0.000 0.299 165 F C 2.614 178.429 175.800 0.025 0.000 1.097 165 F CA 1.281 59.315 58.000 0.056 0.000 1.264 165 F CB -1.176 37.885 39.000 0.101 0.000 1.001 165 F HN 0.165 nan 8.300 nan 0.000 0.479 166 R N 0.026 120.659 120.500 0.222 0.000 2.070 166 R HA -0.156 4.184 4.340 -0.001 0.000 0.233 166 R C 2.105 178.449 176.300 0.073 0.000 1.137 166 R CA 2.163 58.330 56.100 0.111 0.000 0.945 166 R CB -0.584 29.763 30.300 0.079 0.000 0.845 166 R HN 0.202 nan 8.270 nan 0.000 0.430 167 T N 0.994 115.593 114.554 0.075 0.000 2.720 167 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 167 T C 1.692 176.372 174.700 -0.033 0.000 1.037 167 T CA 1.773 63.862 62.100 -0.018 0.000 1.144 167 T CB -0.179 68.661 68.868 -0.046 0.000 0.864 167 T HN 0.149 nan 8.240 nan 0.000 0.444 168 K N 1.095 121.521 120.400 0.043 0.000 2.057 168 K HA 0.137 4.456 4.320 -0.001 0.000 0.206 168 K C 2.180 178.803 176.600 0.039 0.000 1.050 168 K CA 1.307 57.628 56.287 0.057 0.000 0.935 168 K CB -0.419 32.159 32.500 0.130 0.000 0.715 168 K HN 0.334 nan 8.250 nan 0.000 0.439 169 M N 0.107 119.730 119.600 0.039 0.000 2.175 169 M HA -0.162 4.317 4.480 -0.001 0.000 0.264 169 M C 1.889 178.190 176.300 0.002 0.000 1.063 169 M CA 1.616 56.921 55.300 0.009 0.000 1.119 169 M CB -0.154 32.445 32.600 -0.001 0.000 1.377 169 M HN 0.171 nan 8.290 nan 0.000 0.415 170 Q N -0.185 119.616 119.800 0.002 0.000 2.432 170 Q HA -0.024 4.315 4.340 -0.001 0.000 0.205 170 Q C 0.062 176.061 176.000 -0.002 0.000 0.945 170 Q CA 0.046 55.848 55.803 -0.002 0.000 0.924 170 Q CB -0.140 28.596 28.738 -0.003 0.000 1.016 170 Q HN 0.457 nan 8.270 nan 0.000 0.503 171 N N 0.172 118.869 118.700 -0.005 0.000 2.746 171 N HA -0.168 4.571 4.740 -0.001 0.000 0.250 171 N C -0.513 175.002 175.510 0.007 0.000 1.055 171 N CA 1.043 54.097 53.050 0.007 0.000 0.699 171 N CB -1.109 37.391 38.487 0.022 0.000 0.919 171 N HN 0.515 nan 8.380 nan 0.000 0.548 172 G N -1.263 107.494 108.800 -0.071 0.000 2.408 172 G HA2 0.017 3.977 3.960 -0.001 0.000 0.682 172 G HA3 0.017 3.977 3.960 -0.001 0.000 0.682 172 G C -0.931 173.923 174.900 -0.076 0.000 1.303 172 G CA -0.497 44.562 45.100 -0.069 0.000 0.966 172 G HN 0.421 nan 8.290 nan 0.000 0.560 173 L N 0.737 121.971 121.223 0.018 0.000 2.292 173 L HA 0.443 4.782 4.340 -0.001 0.000 0.284 173 L C 1.649 178.556 176.870 0.061 0.000 1.065 173 L CA -0.741 54.126 54.840 0.044 0.000 0.806 173 L CB 1.225 43.351 42.059 0.112 0.000 1.175 173 L HN 0.562 nan 8.230 nan 0.000 0.431 174 I N 1.794 122.393 120.570 0.048 0.000 2.500 174 I HA -0.082 4.087 4.170 -0.001 0.000 0.252 174 I C 0.814 176.964 176.117 0.055 0.000 1.142 174 I CA 1.060 62.388 61.300 0.046 0.000 1.451 174 I CB 0.105 38.125 38.000 0.034 0.000 1.093 174 I HN 0.709 nan 8.210 nan 0.000 0.430 175 N N 0.851 119.592 118.700 0.068 0.000 2.675 175 N HA 0.165 4.904 4.740 -0.001 0.000 0.254 175 N C -2.040 173.524 175.510 0.090 0.000 1.224 175 N CA -1.161 51.933 53.050 0.072 0.000 0.777 175 N CB 1.317 39.847 38.487 0.071 0.000 1.256 175 N HN -0.183 nan 8.380 nan 0.000 0.531 176 P HA -0.198 nan 4.420 nan 0.000 0.218 176 P C 0.865 178.218 177.300 0.089 0.000 1.148 176 P CA 1.139 64.298 63.100 0.099 0.000 0.822 176 P CB 0.442 32.199 31.700 0.095 0.000 0.784 177 E N 0.078 120.319 120.200 0.068 0.000 2.110 177 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 177 E C 2.069 178.699 176.600 0.051 0.000 0.988 177 E CA 1.101 57.530 56.400 0.049 0.000 0.804 177 E CB -0.309 29.411 29.700 0.035 0.000 0.745 177 E HN 0.134 nan 8.360 nan 0.000 0.458 178 A N 1.105 123.973 122.820 0.080 0.000 1.872 178 A HA 0.013 4.332 4.320 -0.001 0.000 0.214 178 A C 2.391 180.075 177.584 0.166 0.000 1.187 178 A CA 1.405 53.508 52.037 0.109 0.000 0.614 178 A CB -0.696 18.399 19.000 0.158 0.000 0.826 178 A HN 0.369 nan 8.150 nan 0.000 0.442 179 A N -0.330 122.618 122.820 0.213 0.000 2.032 179 A HA -0.054 4.265 4.320 -0.001 0.000 0.221 179 A C 2.159 179.882 177.584 0.231 0.000 1.165 179 A CA 1.807 54.017 52.037 0.288 0.000 0.645 179 A CB -0.954 18.165 19.000 0.197 0.000 0.807 179 A HN 0.403 nan 8.150 nan 0.000 0.453 180 V N 0.463 120.461 119.914 0.139 0.000 2.332 180 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 180 V C 2.323 178.465 176.094 0.079 0.000 1.055 180 V CA 2.116 64.504 62.300 0.146 0.000 1.038 180 V CB -0.692 31.177 31.823 0.077 0.000 0.651 180 V HN 0.548 nan 8.190 nan 0.000 0.450 181 E N -0.793 119.325 120.200 -0.136 0.000 2.401 181 E HA -0.156 4.193 4.350 -0.001 0.000 0.199 181 E C 1.285 177.626 176.600 -0.433 0.000 1.023 181 E CA 1.059 57.243 56.400 -0.360 0.000 0.859 181 E CB -0.208 29.157 29.700 -0.558 0.000 0.780 181 E HN 0.849 nan 8.360 nan 0.000 0.523 182 Y N -0.845 119.547 120.300 0.154 0.000 2.636 182 Y HA 0.341 4.890 4.550 -0.001 0.000 0.260 182 Y C 1.487 177.518 175.900 0.219 0.000 1.177 182 Y CA 0.036 58.234 58.100 0.163 0.000 1.209 182 Y CB 0.901 39.442 38.460 0.135 0.000 1.166 182 Y HN 0.061 nan 8.280 nan 0.000 0.531 183 G N 1.104 110.128 108.800 0.373 0.000 2.143 183 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.249 183 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.249 183 G C -0.080 174.972 174.900 0.254 0.000 0.981 183 G CA -0.013 45.292 45.100 0.341 0.000 0.665 183 G HN 0.348 nan 8.290 nan 0.000 0.528 184 I N 0.791 121.491 120.570 0.216 0.000 2.321 184 I HA 0.576 4.745 4.170 -0.001 0.000 0.291 184 I C 0.231 176.385 176.117 0.061 0.000 0.998 184 I CA -1.048 60.257 61.300 0.008 0.000 1.227 184 I CB 1.617 39.641 38.000 0.039 0.000 1.368 184 I HN -0.101 nan 8.210 nan 0.000 0.466 185 V N 5.756 125.661 119.914 -0.015 0.000 2.962 185 V HA 0.425 4.544 4.120 -0.001 0.000 0.313 185 V C -0.373 175.729 176.094 0.013 0.000 1.099 185 V CA -0.963 61.378 62.300 0.068 0.000 0.971 185 V CB 2.571 34.483 31.823 0.147 0.000 1.028 185 V HN 0.610 nan 8.190 nan 0.000 0.430 186 K N 2.310 122.730 120.400 0.033 0.000 2.307 186 K HA 0.594 4.913 4.320 -0.001 0.000 0.263 186 K C -0.908 175.660 176.600 -0.053 0.000 0.973 186 K CA -0.405 55.855 56.287 -0.046 0.000 0.846 186 K CB 1.147 33.627 32.500 -0.032 0.000 1.100 186 K HN 0.798 nan 8.250 nan 0.000 0.438 187 E N 4.320 124.474 120.200 -0.077 0.000 2.246 187 E HA 0.153 4.503 4.350 -0.001 0.000 0.266 187 E C -0.885 175.704 176.600 -0.019 0.000 0.880 187 E CA -0.778 55.595 56.400 -0.046 0.000 0.762 187 E CB 1.489 31.154 29.700 -0.059 0.000 1.180 187 E HN 0.697 nan 8.360 nan 0.000 0.416 188 D N 1.984 122.376 120.400 -0.014 0.000 3.685 188 D HA -0.266 4.374 4.640 -0.001 0.000 0.152 188 D C 0.185 176.462 176.300 -0.040 0.000 0.966 188 D CA 1.262 55.271 54.000 0.015 0.000 1.085 188 D CB -0.570 40.296 40.800 0.110 0.000 0.521 188 D HN 0.519 nan 8.370 nan 0.000 0.543 189 N N 0.180 118.861 118.700 -0.031 0.000 2.238 189 N HA 0.201 4.940 4.740 -0.001 0.000 0.222 189 N C -0.888 174.379 175.510 -0.406 0.000 1.133 189 N CA 0.037 52.957 53.050 -0.216 0.000 0.854 189 N CB 0.206 38.576 38.487 -0.195 0.000 1.041 189 N HN 0.317 nan 8.380 nan 0.000 0.510 190 H N -1.126 117.789 119.070 -0.259 0.000 2.533 190 H HA 0.351 4.906 4.556 -0.001 0.000 0.343 190 H C -0.892 174.206 175.328 -0.383 0.000 1.160 190 H CA -0.418 55.487 56.048 -0.237 0.000 1.218 190 H CB 0.810 30.505 29.762 -0.112 0.000 1.566 190 H HN 0.050 nan 8.280 nan 0.000 0.522 191 Y N 0.986 121.335 120.300 0.081 0.000 2.369 191 Y HA 0.372 4.921 4.550 -0.001 0.000 0.337 191 Y C -0.422 175.363 175.900 -0.193 0.000 0.961 191 Y CA -0.826 57.225 58.100 -0.081 0.000 1.186 191 Y CB 1.051 39.501 38.460 -0.017 0.000 1.139 191 Y HN 0.278 nan 8.280 nan 0.000 0.494 192 V N 4.876 124.669 119.914 -0.201 0.000 2.439 192 V HA 0.252 4.371 4.120 -0.001 0.000 0.282 192 V C -0.869 174.949 176.094 -0.461 0.000 1.039 192 V CA -0.975 61.161 62.300 -0.273 0.000 0.913 192 V CB 0.653 32.300 31.823 -0.295 0.000 0.983 192 V HN 0.542 nan 8.190 nan 0.000 0.460 193 Y N 3.626 123.822 120.300 -0.174 0.000 2.345 193 Y HA 0.489 5.038 4.550 -0.001 0.000 0.331 193 Y C -0.338 175.434 175.900 -0.214 0.000 0.959 193 Y CA -0.758 57.277 58.100 -0.108 0.000 1.204 193 Y CB 1.058 39.478 38.460 -0.066 0.000 1.135 193 Y HN 0.535 nan 8.280 nan 0.000 0.477 194 Y N 1.785 122.037 120.300 -0.080 0.000 2.436 194 Y HA 0.231 4.780 4.550 -0.001 0.000 0.336 194 Y C 0.694 176.592 175.900 -0.002 0.000 1.049 194 Y CA 0.182 58.214 58.100 -0.114 0.000 1.294 194 Y CB 1.074 39.360 38.460 -0.291 0.000 1.179 194 Y HN 0.457 nan 8.280 nan 0.000 0.520 195 S N 4.786 120.533 115.700 0.078 0.000 2.530 195 S HA 0.354 4.824 4.470 -0.001 0.000 0.322 195 S C -0.541 174.016 174.600 -0.071 0.000 1.085 195 S CA -0.980 57.238 58.200 0.029 0.000 1.096 195 S CB -0.032 63.173 63.200 0.008 0.000 0.988 195 S HN 0.625 nan 8.310 nan 0.000 0.466 196 N N 2.838 121.523 118.700 -0.026 0.000 2.503 196 N HA 0.264 5.004 4.740 -0.001 0.000 0.267 196 N C -0.685 174.757 175.510 -0.113 0.000 1.214 196 N CA 0.064 53.073 53.050 -0.069 0.000 0.959 196 N CB 0.242 38.772 38.487 0.071 0.000 1.142 196 N HN 0.546 nan 8.380 nan 0.000 0.455 197 Y N -0.010 120.384 120.300 0.157 0.000 2.299 197 Y HA -0.021 4.528 4.550 -0.001 0.000 0.335 197 Y C 2.061 178.024 175.900 0.106 0.000 1.287 197 Y CA -0.509 57.671 58.100 0.133 0.000 1.424 197 Y CB 0.359 38.915 38.460 0.159 0.000 1.326 197 Y HN 0.559 nan 8.280 nan 0.000 0.567 198 S N 0.229 116.077 115.700 0.247 0.000 2.442 198 S HA -0.217 4.252 4.470 -0.001 0.000 0.236 198 S C 1.342 175.999 174.600 0.095 0.000 1.007 198 S CA 1.274 59.559 58.200 0.142 0.000 0.965 198 S CB -0.625 62.656 63.200 0.136 0.000 0.773 198 S HN 0.841 nan 8.310 nan 0.000 0.504 199 N N 2.504 121.266 118.700 0.103 0.000 2.520 199 N HA 0.044 4.783 4.740 -0.001 0.000 0.185 199 N C 1.258 176.850 175.510 0.137 0.000 1.068 199 N CA 1.053 54.132 53.050 0.049 0.000 0.911 199 N CB -0.531 37.998 38.487 0.071 0.000 0.961 199 N HN 0.615 nan 8.380 nan 0.000 0.446 200 A N -0.441 122.430 122.820 0.086 0.000 2.308 200 A HA 0.333 4.652 4.320 -0.001 0.000 0.217 200 A C 1.619 179.169 177.584 -0.057 0.000 1.216 200 A CA -0.113 51.863 52.037 -0.101 0.000 0.864 200 A CB -0.101 18.860 19.000 -0.065 0.000 0.902 200 A HN 0.265 nan 8.150 nan 0.000 0.499 201 I N -2.933 117.648 120.570 0.018 0.000 4.624 201 I HA 0.239 4.408 4.170 -0.001 0.000 0.327 201 I C 0.150 176.293 176.117 0.044 0.000 1.295 201 I CA 1.055 62.369 61.300 0.024 0.000 1.267 201 I CB 1.370 39.391 38.000 0.035 0.000 1.249 201 I HN 0.025 nan 8.210 nan 0.000 0.440 202 T N -0.579 114.019 114.554 0.073 0.000 3.295 202 T HA 0.307 4.656 4.350 -0.001 0.000 0.331 202 T C -1.982 172.772 174.700 0.090 0.000 1.142 202 T CA -0.216 61.948 62.100 0.105 0.000 1.078 202 T CB 0.584 69.528 68.868 0.128 0.000 1.150 202 T HN -0.020 nan 8.240 nan 0.000 0.465 203 Y N 5.890 126.177 120.300 -0.022 0.000 2.638 203 Y HA 0.295 4.845 4.550 -0.001 0.000 0.367 203 Y C 0.693 176.547 175.900 -0.076 0.000 1.001 203 Y CA -1.088 56.946 58.100 -0.111 0.000 1.133 203 Y CB 0.005 38.423 38.460 -0.069 0.000 1.199 203 Y HN 0.819 nan 8.280 nan 0.000 0.642 204 Y N -0.689 119.625 120.300 0.024 0.000 2.509 204 Y HA 0.145 4.694 4.550 -0.001 0.000 0.293 204 Y C 0.011 175.969 175.900 0.097 0.000 1.133 204 Y CA 0.218 58.336 58.100 0.029 0.000 1.283 204 Y CB -0.270 38.148 38.460 -0.071 0.000 1.001 204 Y HN 0.348 nan 8.280 nan 0.000 0.555 205 N N -0.922 117.732 118.700 -0.076 0.000 2.961 205 N HA 0.069 4.808 4.740 -0.001 0.000 0.245 205 N C -0.056 175.426 175.510 -0.046 0.000 1.404 205 N CA -0.457 52.612 53.050 0.031 0.000 0.880 205 N CB 0.549 39.090 38.487 0.091 0.000 1.461 205 N HN 0.211 nan 8.380 nan 0.000 0.510 206 E N -0.717 119.521 120.200 0.064 0.000 2.267 206 E HA -0.214 4.135 4.350 -0.001 0.000 0.197 206 E C 0.293 176.884 176.600 -0.015 0.000 0.998 206 E CA 1.060 57.517 56.400 0.096 0.000 0.830 206 E CB -0.234 29.529 29.700 0.105 0.000 0.751 206 E HN 0.577 nan 8.360 nan 0.000 0.491 207 E N 1.000 121.158 120.200 -0.070 0.000 2.265 207 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 207 E C 1.949 178.442 176.600 -0.179 0.000 0.996 207 E CA 0.635 56.989 56.400 -0.076 0.000 0.832 207 E CB -0.121 29.573 29.700 -0.010 0.000 0.756 207 E HN 0.370 nan 8.360 nan 0.000 0.491 208 Q N 0.474 120.024 119.800 -0.416 0.000 2.297 208 Q HA -0.173 4.166 4.340 -0.001 0.000 0.208 208 Q C 2.071 177.830 176.000 -0.400 0.000 0.981 208 Q CA 1.077 56.512 55.803 -0.613 0.000 0.876 208 Q CB -0.396 27.584 28.738 -1.263 0.000 0.921 208 Q HN 0.291 nan 8.270 nan 0.000 0.446 209 R N -0.254 120.133 120.500 -0.189 0.000 2.285 209 R HA -0.083 4.256 4.340 -0.001 0.000 0.213 209 R C 0.947 177.335 176.300 0.146 0.000 1.068 209 R CA 0.804 56.989 56.100 0.140 0.000 1.004 209 R CB -0.051 30.408 30.300 0.265 0.000 0.873 209 R HN 0.038 nan 8.270 nan 0.000 0.467 210 L N 0.263 121.468 121.223 -0.029 0.000 2.667 210 L HA 0.408 4.748 4.340 -0.001 0.000 0.232 210 L C 1.777 178.461 176.870 -0.310 0.000 1.138 210 L CA 0.662 55.385 54.840 -0.196 0.000 0.921 210 L CB 0.186 42.148 42.059 -0.162 0.000 1.180 210 L HN 0.327 nan 8.230 nan 0.000 0.487 211 A N -0.054 122.687 122.820 -0.132 0.000 1.986 211 A HA -0.282 4.037 4.320 -0.001 0.000 0.220 211 A C 2.096 179.476 177.584 -0.341 0.000 1.171 211 A CA 2.168 54.137 52.037 -0.113 0.000 0.640 211 A CB -0.937 18.087 19.000 0.040 0.000 0.811 211 A HN 0.612 nan 8.150 nan 0.000 0.451 212 Y N -3.280 116.833 120.300 -0.312 0.000 2.421 212 Y HA 0.035 4.584 4.550 -0.001 0.000 0.292 212 Y C 1.853 177.501 175.900 -0.419 0.000 1.136 212 Y CA 0.943 58.590 58.100 -0.756 0.000 1.255 212 Y CB -0.690 37.666 38.460 -0.174 0.000 0.991 212 Y HN 0.249 nan 8.280 nan 0.000 0.552 213 F N 2.166 121.496 119.950 -1.033 0.000 2.315 213 F HA 0.029 4.555 4.527 -0.001 0.000 0.284 213 F C 2.527 178.145 175.800 -0.302 0.000 1.049 213 F CA 1.716 59.355 58.000 -0.601 0.000 1.323 213 F CB -0.777 37.779 39.000 -0.739 0.000 1.113 213 F HN 0.074 nan 8.300 nan 0.000 0.544 214 T N -2.195 112.200 114.554 -0.265 0.000 2.929 214 T HA -0.140 4.209 4.350 -0.001 0.000 0.271 214 T C 1.341 175.944 174.700 -0.163 0.000 1.085 214 T CA 1.715 63.715 62.100 -0.166 0.000 1.125 214 T CB -0.481 68.409 68.868 0.036 0.000 0.874 214 T HN 0.469 nan 8.240 nan 0.000 0.494 215 E N 0.753 120.846 120.200 -0.179 0.000 2.498 215 E HA 0.164 4.513 4.350 -0.001 0.000 0.203 215 E C -0.216 176.399 176.600 0.025 0.000 1.013 215 E CA -0.358 56.021 56.400 -0.034 0.000 0.927 215 E CB 0.237 30.009 29.700 0.119 0.000 1.012 215 E HN 0.575 nan 8.360 nan 0.000 0.482 216 D N 1.174 121.502 120.400 -0.120 0.000 2.487 216 D HA -0.075 4.565 4.640 -0.001 0.000 0.243 216 D C 1.545 177.899 176.300 0.091 0.000 1.154 216 D CA 0.063 54.062 54.000 -0.003 0.000 0.876 216 D CB 0.679 41.415 40.800 -0.107 0.000 1.161 216 D HN 0.172 nan 8.370 nan 0.000 0.478 217 I N 1.196 121.837 120.570 0.118 0.000 2.454 217 I HA 0.024 4.193 4.170 -0.001 0.000 0.254 217 I C 1.765 177.982 176.117 0.166 0.000 1.156 217 I CA 0.958 62.338 61.300 0.134 0.000 1.433 217 I CB -0.369 37.380 38.000 -0.418 0.000 1.082 217 I HN 0.431 nan 8.210 nan 0.000 0.432 218 G N 1.753 110.593 108.800 0.065 0.000 2.394 218 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.215 218 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.215 218 G C 1.568 176.618 174.900 0.250 0.000 1.165 218 G CA 0.719 45.928 45.100 0.181 0.000 0.784 218 G HN 0.380 nan 8.290 nan 0.000 0.535 219 L N 1.078 122.372 121.223 0.118 0.000 2.056 219 L HA 0.079 4.418 4.340 -0.001 0.000 0.207 219 L C 2.258 179.276 176.870 0.246 0.000 1.078 219 L CA 1.942 56.829 54.840 0.079 0.000 0.749 219 L CB -0.699 41.201 42.059 -0.264 0.000 0.901 219 L HN 0.167 nan 8.230 nan 0.000 0.433 220 N N -0.423 118.422 118.700 0.241 0.000 2.188 220 N HA -0.074 4.665 4.740 -0.001 0.000 0.184 220 N C 1.844 177.659 175.510 0.507 0.000 1.018 220 N CA 1.257 54.487 53.050 0.300 0.000 0.858 220 N CB -0.328 38.258 38.487 0.165 0.000 0.989 220 N HN 0.493 nan 8.380 nan 0.000 0.426 221 A N 0.135 123.307 122.820 0.587 0.000 1.902 221 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 221 A C 2.017 179.919 177.584 0.530 0.000 1.181 221 A CA 1.155 53.457 52.037 0.441 0.000 0.623 221 A CB -1.035 18.168 19.000 0.339 0.000 0.818 221 A HN 0.491 nan 8.150 nan 0.000 0.443 222 Y N -1.160 119.445 120.300 0.508 0.000 2.165 222 Y HA -0.313 4.236 4.550 -0.001 0.000 0.286 222 Y C 2.170 178.454 175.900 0.640 0.000 1.155 222 Y CA 2.012 60.468 58.100 0.592 0.000 1.164 222 Y CB -0.677 38.058 38.460 0.459 0.000 0.978 222 Y HN 0.462 nan 8.280 nan 0.000 0.513 223 Y N -0.924 119.597 120.300 0.369 0.000 2.242 223 Y HA -0.262 4.288 4.550 -0.001 0.000 0.291 223 Y C 2.344 178.457 175.900 0.355 0.000 1.137 223 Y CA 1.241 59.513 58.100 0.286 0.000 1.181 223 Y CB -0.523 38.079 38.460 0.238 0.000 0.989 223 Y HN 0.240 nan 8.280 nan 0.000 0.527 224 F N -0.163 119.910 119.950 0.206 0.000 2.095 224 F HA -0.293 4.234 4.527 -0.001 0.000 0.298 224 F C 1.586 177.360 175.800 -0.043 0.000 1.104 224 F CA 1.609 59.626 58.000 0.029 0.000 1.232 224 F CB -0.617 38.354 39.000 -0.049 0.000 0.987 224 F HN 0.005 nan 8.300 nan 0.000 0.475 225 F N -0.338 119.694 119.950 0.136 0.000 2.216 225 F HA -0.142 4.384 4.527 -0.001 0.000 0.300 225 F C 2.193 177.963 175.800 -0.050 0.000 1.085 225 F CA 1.215 59.246 58.000 0.051 0.000 1.326 225 F CB -1.425 37.776 39.000 0.336 0.000 1.027 225 F HN 0.131 nan 8.300 nan 0.000 0.497 226 F N 0.304 120.194 119.950 -0.100 0.000 2.126 226 F HA -0.239 4.287 4.527 -0.001 0.000 0.299 226 F C 2.688 178.244 175.800 -0.406 0.000 1.096 226 F CA 2.168 59.931 58.000 -0.395 0.000 1.255 226 F CB -0.848 37.619 39.000 -0.888 0.000 0.997 226 F HN 0.079 nan 8.300 nan 0.000 0.479 227 H N 0.900 119.479 119.070 -0.818 0.000 2.276 227 H HA -0.144 4.411 4.556 -0.001 0.000 0.301 227 H C 2.253 177.081 175.328 -0.833 0.000 1.073 227 H CA 2.826 58.219 56.048 -1.091 0.000 1.311 227 H CB -0.802 28.041 29.762 -1.532 0.000 1.379 227 H HN 0.409 nan 8.280 nan 0.000 0.494 228 I N -1.644 118.366 120.570 -0.933 0.000 2.567 228 I HA -0.206 3.963 4.170 -0.001 0.000 0.257 228 I C 2.178 177.995 176.117 -0.500 0.000 1.184 228 I CA 1.692 62.484 61.300 -0.846 0.000 1.451 228 I CB -0.657 36.897 38.000 -0.744 0.000 1.089 228 I HN 0.264 nan 8.210 nan 0.000 0.441 229 H N 1.860 120.714 119.070 -0.360 0.000 2.421 229 H HA 0.069 4.624 4.556 -0.001 0.000 0.298 229 H C 0.232 175.458 175.328 -0.169 0.000 1.087 229 H CA 1.256 57.241 56.048 -0.104 0.000 1.330 229 H CB 0.401 30.143 29.762 -0.033 0.000 1.388 229 H HN 0.425 nan 8.280 nan 0.000 0.526 230 L N 0.735 121.793 121.223 -0.275 0.000 2.740 230 L HA 0.332 4.671 4.340 -0.001 0.000 0.250 230 L C -2.937 173.539 176.870 -0.657 0.000 0.997 230 L CA -1.355 53.277 54.840 -0.346 0.000 0.968 230 L CB 1.463 43.334 42.059 -0.313 0.000 1.248 230 L HN -0.210 nan 8.230 nan 0.000 0.476 231 P HA 0.160 nan 4.420 nan 0.000 0.266 231 P C 0.803 177.585 177.300 -0.862 0.000 1.195 231 P CA -0.023 62.280 63.100 -1.328 0.000 0.768 231 P CB 0.302 30.654 31.700 -2.246 0.000 0.838 232 F N 2.239 122.017 119.950 -0.288 0.000 2.202 232 F HA -0.125 4.401 4.527 -0.001 0.000 0.301 232 F C 1.593 177.435 175.800 0.070 0.000 1.082 232 F CA 0.522 58.524 58.000 0.003 0.000 1.313 232 F CB -1.402 37.748 39.000 0.249 0.000 1.024 232 F HN 0.405 nan 8.300 nan 0.000 0.495 233 W N -1.332 119.650 121.300 -0.531 0.000 2.937 233 W HA 0.084 4.744 4.660 -0.001 0.000 0.245 233 W C -0.108 176.451 176.519 0.066 0.000 1.306 233 W CA -0.778 56.468 57.345 -0.164 0.000 1.470 233 W CB -0.968 28.276 29.460 -0.360 0.000 1.132 233 W HN 0.118 nan 8.180 nan 0.000 0.675 234 W N 2.867 123.942 121.300 -0.374 0.000 2.570 234 W HA 0.435 5.094 4.660 -0.001 0.000 0.337 234 W C 0.325 176.778 176.519 -0.110 0.000 1.067 234 W CA -1.811 55.400 57.345 -0.223 0.000 1.229 234 W CB 1.310 30.340 29.460 -0.717 0.000 1.355 234 W HN -0.379 nan 8.180 nan 0.000 0.555 235 T N 2.503 116.910 114.554 -0.244 0.000 2.900 235 T HA 0.357 4.706 4.350 -0.001 0.000 0.307 235 T C 0.878 175.281 174.700 -0.495 0.000 1.065 235 T CA 0.439 62.358 62.100 -0.301 0.000 1.105 235 T CB 0.929 69.636 68.868 -0.268 0.000 0.979 235 T HN 0.564 nan 8.240 nan 0.000 0.544 236 A N 2.764 125.420 122.820 -0.274 0.000 2.251 236 A HA 0.223 4.542 4.320 -0.001 0.000 0.209 236 A C 1.824 179.303 177.584 -0.174 0.000 1.187 236 A CA 0.799 52.715 52.037 -0.201 0.000 0.823 236 A CB -0.657 18.265 19.000 -0.129 0.000 0.846 236 A HN 0.975 nan 8.150 nan 0.000 0.486 237 E N 1.594 121.636 120.200 -0.264 0.000 2.095 237 E HA -0.307 4.043 4.350 -0.001 0.000 0.212 237 E C 1.864 178.358 176.600 -0.176 0.000 1.044 237 E CA 2.261 58.546 56.400 -0.191 0.000 0.857 237 E CB -0.285 29.293 29.700 -0.202 0.000 0.764 237 E HN 0.621 nan 8.360 nan 0.000 0.462 238 K N -0.952 119.266 120.400 -0.305 0.000 2.127 238 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 238 K C 1.067 177.456 176.600 -0.351 0.000 1.047 238 K CA 1.735 57.838 56.287 -0.307 0.000 0.927 238 K CB -0.350 31.906 32.500 -0.406 0.000 0.716 238 K HN 0.322 nan 8.250 nan 0.000 0.450 239 Y N 0.626 120.884 120.300 -0.070 0.000 2.537 239 Y HA 0.158 4.707 4.550 -0.001 0.000 0.303 239 Y C 1.584 177.464 175.900 -0.033 0.000 1.176 239 Y CA 0.092 58.179 58.100 -0.022 0.000 1.273 239 Y CB -0.033 38.412 38.460 -0.025 0.000 1.110 239 Y HN 0.371 nan 8.280 nan 0.000 0.518 240 G N 1.256 110.074 108.800 0.029 0.000 2.752 240 G HA2 -0.518 3.442 3.960 -0.001 0.000 0.349 240 G HA3 -0.518 3.442 3.960 -0.001 0.000 0.349 240 G C 1.557 176.476 174.900 0.031 0.000 1.181 240 G CA 1.225 46.337 45.100 0.021 0.000 0.949 240 G HN 0.423 nan 8.290 nan 0.000 0.562 241 N N 0.535 119.260 118.700 0.041 0.000 2.223 241 N HA -0.045 4.694 4.740 -0.001 0.000 0.185 241 N C 2.234 177.759 175.510 0.026 0.000 1.016 241 N CA 1.467 54.538 53.050 0.035 0.000 0.863 241 N CB -0.346 38.164 38.487 0.038 0.000 0.983 241 N HN 0.446 nan 8.380 nan 0.000 0.429 242 L N 2.137 123.374 121.223 0.023 0.000 2.129 242 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 242 L C 2.231 179.073 176.870 -0.046 0.000 1.087 242 L CA 1.665 56.476 54.840 -0.047 0.000 0.757 242 L CB -0.458 41.516 42.059 -0.141 0.000 0.896 242 L HN 0.077 nan 8.230 nan 0.000 0.434 243 K N -0.591 119.797 120.400 -0.020 0.000 2.032 243 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 243 K C 1.868 178.470 176.600 0.004 0.000 1.048 243 K CA 1.929 58.202 56.287 -0.023 0.000 0.927 243 K CB -0.051 32.436 32.500 -0.022 0.000 0.712 243 K HN 0.279 nan 8.250 nan 0.000 0.441 244 E N 0.085 120.298 120.200 0.022 0.000 2.274 244 E HA -0.073 4.277 4.350 -0.001 0.000 0.194 244 E C 1.022 177.661 176.600 0.066 0.000 0.996 244 E CA 0.943 57.369 56.400 0.044 0.000 0.840 244 E CB 0.188 29.915 29.700 0.046 0.000 0.772 244 E HN 0.219 nan 8.360 nan 0.000 0.491 245 R N -0.398 120.136 120.500 0.057 0.000 2.552 245 R HA 0.279 4.618 4.340 -0.001 0.000 0.314 245 R C 1.550 177.906 176.300 0.093 0.000 1.041 245 R CA -0.172 55.981 56.100 0.088 0.000 1.076 245 R CB 0.311 30.656 30.300 0.076 0.000 1.290 245 R HN -0.036 nan 8.270 nan 0.000 0.563 246 R N 0.435 120.974 120.500 0.064 0.000 2.073 246 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 246 R C 1.980 178.402 176.300 0.203 0.000 1.134 246 R CA 1.904 58.043 56.100 0.065 0.000 0.952 246 R CB -0.354 29.955 30.300 0.014 0.000 0.850 246 R HN 0.337 nan 8.270 nan 0.000 0.433 247 G N 0.145 109.082 108.800 0.229 0.000 2.432 247 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.219 247 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.219 247 G C 1.239 176.474 174.900 0.559 0.000 1.135 247 G CA 0.753 46.089 45.100 0.393 0.000 0.767 247 G HN 0.464 nan 8.290 nan 0.000 0.550 248 E N -0.458 119.987 120.200 0.407 0.000 2.072 248 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 248 E C 2.332 179.178 176.600 0.410 0.000 0.985 248 E CA 0.750 57.378 56.400 0.380 0.000 0.801 248 E CB -0.161 29.701 29.700 0.270 0.000 0.750 248 E HN 0.393 nan 8.360 nan 0.000 0.452 249 M N 0.103 119.916 119.600 0.354 0.000 2.319 249 M HA -0.152 4.327 4.480 -0.001 0.000 0.265 249 M C 1.783 178.405 176.300 0.536 0.000 1.068 249 M CA 1.274 56.806 55.300 0.387 0.000 1.118 249 M CB -0.418 32.289 32.600 0.179 0.000 1.395 249 M HN 0.185 nan 8.290 nan 0.000 0.435 250 Y N 0.469 121.028 120.300 0.433 0.000 2.133 250 Y HA -0.292 4.257 4.550 -0.001 0.000 0.287 250 Y C 2.528 178.742 175.900 0.523 0.000 1.134 250 Y CA 2.664 61.098 58.100 0.556 0.000 1.133 250 Y CB -0.802 38.008 38.460 0.583 0.000 0.987 250 Y HN 0.523 nan 8.280 nan 0.000 0.502 251 H N -1.169 118.151 119.070 0.416 0.000 2.319 251 H HA -0.277 4.279 4.556 -0.001 0.000 0.299 251 H C 2.145 177.536 175.328 0.105 0.000 1.092 251 H CA 2.424 58.441 56.048 -0.052 0.000 1.302 251 H CB -0.929 28.450 29.762 -0.638 0.000 1.373 251 H HN 0.542 nan 8.280 nan 0.000 0.497 252 Y N -0.448 119.931 120.300 0.132 0.000 2.114 252 Y HA -0.272 4.277 4.550 -0.001 0.000 0.284 252 Y C 2.258 178.178 175.900 0.032 0.000 1.143 252 Y CA 1.868 60.038 58.100 0.116 0.000 1.135 252 Y CB -0.652 37.972 38.460 0.273 0.000 0.980 252 Y HN 0.314 nan 8.280 nan 0.000 0.499 253 F N -0.198 119.730 119.950 -0.037 0.000 2.069 253 F HA -0.307 4.220 4.527 -0.001 0.000 0.298 253 F C 1.863 177.371 175.800 -0.487 0.000 1.113 253 F CA 1.995 59.800 58.000 -0.326 0.000 1.214 253 F CB -1.062 37.616 39.000 -0.537 0.000 0.978 253 F HN 0.134 nan 8.300 nan 0.000 0.474 254 Y N 0.077 120.157 120.300 -0.366 0.000 2.163 254 Y HA -0.214 4.336 4.550 -0.001 0.000 0.288 254 Y C 2.438 178.084 175.900 -0.424 0.000 1.136 254 Y CA 1.660 59.494 58.100 -0.443 0.000 1.147 254 Y CB -0.786 37.480 38.460 -0.323 0.000 0.987 254 Y HN 0.151 nan 8.280 nan 0.000 0.509 255 D N -0.709 119.505 120.400 -0.309 0.000 2.123 255 D HA -0.198 4.441 4.640 -0.001 0.000 0.196 255 D C 2.042 178.177 176.300 -0.275 0.000 0.992 255 D CA 1.361 55.160 54.000 -0.334 0.000 0.833 255 D CB 0.092 40.589 40.800 -0.505 0.000 0.954 255 D HN 0.180 nan 8.370 nan 0.000 0.455 256 Q N -0.265 119.323 119.800 -0.354 0.000 2.084 256 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 256 Q C 2.285 178.193 176.000 -0.152 0.000 0.978 256 Q CA 0.621 56.285 55.803 -0.230 0.000 0.844 256 Q CB -0.522 27.951 28.738 -0.441 0.000 0.898 256 Q HN 0.369 nan 8.270 nan 0.000 0.426 257 L N 0.356 121.387 121.223 -0.320 0.000 2.056 257 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 257 L C 1.975 178.818 176.870 -0.045 0.000 1.078 257 L CA 1.317 56.028 54.840 -0.214 0.000 0.749 257 L CB -0.695 41.099 42.059 -0.441 0.000 0.901 257 L HN 0.107 nan 8.230 nan 0.000 0.433 258 L N -0.613 120.572 121.223 -0.063 0.000 2.046 258 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 258 L C 2.493 179.335 176.870 -0.046 0.000 1.077 258 L CA 2.044 56.898 54.840 0.024 0.000 0.747 258 L CB -1.774 40.256 42.059 -0.048 0.000 0.896 258 L HN 0.309 nan 8.230 nan 0.000 0.432 259 T N -1.200 113.226 114.554 -0.214 0.000 2.708 259 T HA -0.213 4.136 4.350 -0.001 0.000 0.266 259 T C 2.055 176.238 174.700 -0.862 0.000 1.037 259 T CA 1.465 63.297 62.100 -0.447 0.000 1.146 259 T CB -0.070 68.537 68.868 -0.435 0.000 0.865 259 T HN 0.089 nan 8.240 nan 0.000 0.435 260 R N 0.434 120.468 120.500 -0.776 0.000 2.105 260 R HA -0.088 4.251 4.340 -0.001 0.000 0.239 260 R C 2.034 178.013 176.300 -0.535 0.000 1.135 260 R CA 1.545 57.078 56.100 -0.944 0.000 0.967 260 R CB -1.036 28.784 30.300 -0.800 0.000 0.861 260 R HN 0.624 nan 8.270 nan 0.000 0.442 261 Y N -0.639 119.452 120.300 -0.349 0.000 2.263 261 Y HA -0.213 4.336 4.550 -0.001 0.000 0.292 261 Y C 1.991 177.696 175.900 -0.326 0.000 1.130 261 Y CA 1.828 59.749 58.100 -0.299 0.000 1.179 261 Y CB -0.468 37.898 38.460 -0.156 0.000 0.998 261 Y HN 0.246 nan 8.280 nan 0.000 0.532 262 Y N -0.371 119.675 120.300 -0.422 0.000 2.165 262 Y HA -0.320 4.229 4.550 -0.002 0.000 0.286 262 Y C 1.810 177.563 175.900 -0.246 0.000 1.155 262 Y CA 1.600 59.475 58.100 -0.376 0.000 1.164 262 Y CB -0.525 37.797 38.460 -0.231 0.000 0.978 262 Y HN 0.125 nan 8.280 nan 0.000 0.513 263 F N 0.952 120.609 119.950 -0.488 0.000 2.161 263 F HA -0.202 4.325 4.527 -0.001 0.000 0.300 263 F C 2.408 177.876 175.800 -0.553 0.000 1.089 263 F CA 1.683 59.394 58.000 -0.482 0.000 1.282 263 F CB -1.298 37.405 39.000 -0.494 0.000 1.010 263 F HN 0.190 nan 8.300 nan 0.000 0.485 264 E N 0.197 120.077 120.200 -0.533 0.000 2.106 264 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 264 E C 2.337 178.605 176.600 -0.553 0.000 0.984 264 E CA 1.009 57.024 56.400 -0.641 0.000 0.806 264 E CB -0.066 28.995 29.700 -1.066 0.000 0.750 264 E HN 0.229 nan 8.360 nan 0.000 0.458 265 R N -0.412 119.710 120.500 -0.629 0.000 2.073 265 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 265 R C 2.139 178.194 176.300 -0.410 0.000 1.134 265 R CA 1.143 56.952 56.100 -0.485 0.000 0.952 265 R CB -0.449 29.589 30.300 -0.436 0.000 0.850 265 R HN 0.169 nan 8.270 nan 0.000 0.433 266 L N 0.721 121.625 121.223 -0.530 0.000 2.013 266 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 266 L C 2.610 178.971 176.870 -0.848 0.000 1.073 266 L CA 2.378 56.866 54.840 -0.587 0.000 0.753 266 L CB -1.285 40.370 42.059 -0.673 0.000 0.890 266 L HN 0.371 nan 8.230 nan 0.000 0.432 267 T N -4.298 109.661 114.554 -0.991 0.000 3.113 267 T HA -0.055 4.294 4.350 -0.001 0.000 0.263 267 T C 1.351 175.811 174.700 -0.401 0.000 1.143 267 T CA 0.781 62.250 62.100 -1.051 0.000 1.090 267 T CB -0.336 68.126 68.868 -0.678 0.000 0.922 267 T HN 0.289 nan 8.240 nan 0.000 0.521 268 N N 0.786 119.316 118.700 -0.284 0.000 2.187 268 N HA 0.217 4.956 4.740 -0.001 0.000 0.212 268 N C 1.162 176.632 175.510 -0.068 0.000 1.152 268 N CA 0.531 53.528 53.050 -0.088 0.000 0.872 268 N CB 0.716 39.173 38.487 -0.051 0.000 1.025 268 N HN 0.636 nan 8.380 nan 0.000 0.514 269 G N 1.514 110.245 108.800 -0.115 0.000 2.273 269 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.280 269 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.280 269 G C 0.554 175.429 174.900 -0.041 0.000 1.047 269 G CA 0.081 45.151 45.100 -0.050 0.000 0.869 269 G HN 0.376 nan 8.290 nan 0.000 0.502 270 L N -0.138 121.035 121.223 -0.082 0.000 2.667 270 L HA 0.414 4.754 4.340 -0.001 0.000 0.232 270 L C 1.872 178.727 176.870 -0.025 0.000 1.138 270 L CA 0.301 55.107 54.840 -0.055 0.000 0.921 270 L CB -0.263 41.739 42.059 -0.096 0.000 1.180 270 L HN 0.917 nan 8.230 nan 0.000 0.487 271 G N 0.842 109.638 108.800 -0.007 0.000 2.682 271 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.256 271 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.256 271 G C 0.219 175.229 174.900 0.184 0.000 1.333 271 G CA -0.122 45.027 45.100 0.083 0.000 0.904 271 G HN 0.336 nan 8.290 nan 0.000 0.569 272 T N -1.452 113.222 114.554 0.198 0.000 2.795 272 T HA 0.462 4.811 4.350 -0.001 0.000 0.314 272 T C 1.166 175.895 174.700 0.048 0.000 1.069 272 T CA 0.159 62.315 62.100 0.093 0.000 1.071 272 T CB 0.481 69.308 68.868 -0.069 0.000 0.988 272 T HN 0.849 nan 8.240 nan 0.000 0.543 273 I N 2.842 123.411 120.570 -0.002 0.000 2.587 273 I HA 0.164 4.333 4.170 -0.001 0.000 0.284 273 I C -1.833 174.305 176.117 0.034 0.000 1.134 273 I CA -1.863 59.478 61.300 0.069 0.000 1.410 273 I CB 0.117 38.167 38.000 0.083 0.000 1.392 273 I HN 0.509 nan 8.210 nan 0.000 0.545 274 P HA 0.056 nan 4.420 nan 0.000 0.267 274 P C -0.685 176.655 177.300 0.066 0.000 1.200 274 P CA 0.012 63.145 63.100 0.055 0.000 0.772 274 P CB 0.518 32.256 31.700 0.063 0.000 0.855 275 E N 1.251 121.477 120.200 0.043 0.000 2.212 275 E HA 0.537 4.886 4.350 -0.001 0.000 0.270 275 E C -0.593 176.050 176.600 0.072 0.000 0.956 275 E CA -0.497 55.904 56.400 0.001 0.000 0.825 275 E CB 1.153 30.800 29.700 -0.088 0.000 1.167 275 E HN 0.391 nan 8.360 nan 0.000 0.400 276 F N -1.259 118.590 119.950 -0.168 0.000 2.675 276 F HA 0.695 5.221 4.527 -0.001 0.000 0.324 276 F C -0.667 174.992 175.800 -0.235 0.000 1.106 276 F CA -1.146 56.742 58.000 -0.186 0.000 0.970 276 F CB 1.419 40.273 39.000 -0.242 0.000 1.385 276 F HN 0.242 nan 8.300 nan 0.000 0.489 277 S N -0.347 115.311 115.700 -0.070 0.000 2.538 277 S HA 0.335 4.804 4.470 -0.001 0.000 0.288 277 S C -0.683 173.948 174.600 0.052 0.000 1.108 277 S CA -0.744 57.392 58.200 -0.106 0.000 0.971 277 S CB 0.666 63.910 63.200 0.072 0.000 1.041 277 S HN 0.779 nan 8.310 nan 0.000 0.483 278 W N 2.436 123.835 121.300 0.166 0.000 2.721 278 W HA 0.092 4.751 4.660 -0.001 0.000 0.245 278 W C 0.340 176.722 176.519 -0.228 0.000 1.276 278 W CA -0.147 57.196 57.345 -0.003 0.000 1.342 278 W CB -0.094 29.259 29.460 -0.177 0.000 1.135 278 W HN 0.770 nan 8.180 nan 0.000 0.654 279 Y N -0.922 119.507 120.300 0.215 0.000 2.507 279 Y HA 0.280 4.829 4.550 -0.001 0.000 0.254 279 Y C 0.648 176.556 175.900 0.012 0.000 1.171 279 Y CA -0.141 57.947 58.100 -0.019 0.000 1.238 279 Y CB -0.015 38.364 38.460 -0.136 0.000 1.148 279 Y HN -0.352 nan 8.280 nan 0.000 0.525 280 S N -0.324 115.494 115.700 0.196 0.000 2.570 280 S HA 0.452 4.921 4.470 -0.001 0.000 0.286 280 S C -2.794 171.904 174.600 0.163 0.000 1.099 280 S CA -1.489 56.809 58.200 0.164 0.000 0.913 280 S CB 1.818 65.106 63.200 0.147 0.000 1.085 280 S HN -0.231 nan 8.310 nan 0.000 0.480 281 P HA 0.066 nan 4.420 nan 0.000 0.264 281 P C -0.993 176.409 177.300 0.169 0.000 1.183 281 P CA -0.132 63.068 63.100 0.166 0.000 0.763 281 P CB 0.228 32.065 31.700 0.229 0.000 0.807 282 V N 4.982 124.978 119.914 0.136 0.000 2.470 282 V HA 0.008 4.128 4.120 -0.001 0.000 0.276 282 V C 1.851 177.934 176.094 -0.018 0.000 1.040 282 V CA 0.225 62.557 62.300 0.054 0.000 1.008 282 V CB 0.619 32.447 31.823 0.009 0.000 0.990 282 V HN 0.643 nan 8.190 nan 0.000 0.477 283 K N 3.723 124.063 120.400 -0.100 0.000 2.001 283 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 283 K C 1.034 177.341 176.600 -0.488 0.000 1.048 283 K CA 1.587 57.618 56.287 -0.427 0.000 0.932 283 K CB -0.038 32.316 32.500 -0.244 0.000 0.715 283 K HN 0.796 nan 8.250 nan 0.000 0.437 284 T N -0.232 114.192 114.554 -0.216 0.000 2.739 284 T HA 0.444 4.793 4.350 -0.001 0.000 0.298 284 T C 0.440 175.126 174.700 -0.023 0.000 0.929 284 T CA -0.761 61.276 62.100 -0.106 0.000 1.014 284 T CB 1.213 70.065 68.868 -0.026 0.000 0.914 284 T HN 0.286 nan 8.240 nan 0.000 0.509 285 G N 1.589 110.411 108.800 0.036 0.000 2.588 285 G HA2 0.475 4.434 3.960 -0.001 0.000 0.278 285 G HA3 0.475 4.434 3.960 -0.001 0.000 0.278 285 G C -0.866 174.172 174.900 0.231 0.000 1.307 285 G CA -0.628 44.506 45.100 0.056 0.000 1.016 285 G HN 1.040 nan 8.290 nan 0.000 0.503 286 H N -2.142 116.860 119.070 -0.112 0.000 3.087 286 H HA 0.438 4.993 4.556 -0.001 0.000 0.348 286 H C -2.044 173.050 175.328 -0.390 0.000 1.092 286 H CA -0.835 55.207 56.048 -0.010 0.000 1.285 286 H CB 1.097 30.875 29.762 0.026 0.000 1.875 286 H HN 0.374 nan 8.280 nan 0.000 0.512 287 Y N 5.197 124.955 120.300 -0.902 0.000 2.575 287 Y HA 0.330 4.879 4.550 -0.001 0.000 0.326 287 Y C -2.285 173.248 175.900 -0.611 0.000 0.979 287 Y CA -2.689 54.996 58.100 -0.691 0.000 1.286 287 Y CB 1.306 39.339 38.460 -0.710 0.000 1.093 287 Y HN 0.512 nan 8.280 nan 0.000 0.501 288 P HA 0.128 nan 4.420 nan 0.000 0.269 288 P C 0.006 177.217 177.300 -0.148 0.000 1.252 288 P CA 0.060 63.059 63.100 -0.170 0.000 0.780 288 P CB 0.619 32.367 31.700 0.080 0.000 0.829 289 L N 3.869 125.009 121.223 -0.138 0.000 2.919 289 L HA 0.132 4.472 4.340 -0.001 0.000 0.242 289 L C 0.007 176.716 176.870 -0.269 0.000 1.366 289 L CA 0.053 54.807 54.840 -0.143 0.000 1.212 289 L CB -0.624 41.386 42.059 -0.081 0.000 1.604 289 L HN 0.287 nan 8.230 nan 0.000 0.433 290 L N -0.843 120.117 121.223 -0.437 0.000 2.301 290 L HA 0.680 5.019 4.340 -0.001 0.000 0.264 290 L C 0.098 176.593 176.870 -0.624 0.000 1.016 290 L CA -0.250 54.138 54.840 -0.753 0.000 0.821 290 L CB 2.120 43.297 42.059 -1.471 0.000 1.346 290 L HN -0.143 nan 8.230 nan 0.000 0.429 291 T N -0.478 113.815 114.554 -0.434 0.000 2.894 291 T HA 0.629 4.978 4.350 -0.001 0.000 0.309 291 T C -0.552 174.262 174.700 0.189 0.000 1.208 291 T CA -0.284 61.834 62.100 0.029 0.000 1.016 291 T CB 1.404 70.292 68.868 0.033 0.000 1.192 291 T HN 0.817 nan 8.240 nan 0.000 0.491 292 S N 1.671 117.543 115.700 0.287 0.000 2.677 292 S HA 0.496 4.965 4.470 -0.001 0.000 0.290 292 S C 0.372 175.002 174.600 0.051 0.000 1.124 292 S CA -0.399 57.893 58.200 0.153 0.000 1.017 292 S CB 0.275 63.571 63.200 0.161 0.000 1.215 292 S HN 0.643 nan 8.310 nan 0.000 0.524 293 Y N -0.630 119.741 120.300 0.118 0.000 2.544 293 Y HA 0.246 4.796 4.550 -0.001 0.000 0.286 293 Y C 1.033 176.653 175.900 -0.466 0.000 1.141 293 Y CA 0.300 58.319 58.100 -0.135 0.000 1.299 293 Y CB -0.391 37.959 38.460 -0.183 0.000 1.030 293 Y HN 0.649 nan 8.280 nan 0.000 0.543 294 Y N -2.358 118.053 120.300 0.185 0.000 2.423 294 Y HA 0.278 4.827 4.550 -0.001 0.000 0.257 294 Y C 0.939 176.862 175.900 0.039 0.000 1.087 294 Y CA 0.176 58.323 58.100 0.080 0.000 1.258 294 Y CB 0.997 39.473 38.460 0.027 0.000 1.237 294 Y HN -0.204 nan 8.280 nan 0.000 0.517 295 T N -0.396 114.257 114.554 0.165 0.000 2.786 295 T HA 0.430 4.779 4.350 -0.001 0.000 0.316 295 T C -3.168 171.629 174.700 0.162 0.000 1.503 295 T CA -1.919 60.254 62.100 0.121 0.000 1.019 295 T CB 1.558 70.464 68.868 0.065 0.000 1.415 295 T HN -0.376 nan 8.240 nan 0.000 0.496 296 P HA 0.464 nan 4.420 nan 0.000 0.277 296 P C -0.660 176.816 177.300 0.294 0.000 1.240 296 P CA -0.510 62.712 63.100 0.205 0.000 0.798 296 P CB 0.193 31.971 31.700 0.130 0.000 0.979 297 F N 0.474 120.436 119.950 0.021 0.000 2.553 297 F HA 0.065 4.592 4.527 -0.001 0.000 0.356 297 F C 1.509 177.308 175.800 -0.002 0.000 1.142 297 F CA -0.200 57.822 58.000 0.036 0.000 1.322 297 F CB -0.332 38.700 39.000 0.053 0.000 1.126 297 F HN 0.232 nan 8.300 nan 0.000 0.599 298 S N 2.566 118.338 115.700 0.119 0.000 2.572 298 S HA 0.311 4.780 4.470 -0.001 0.000 0.279 298 S C -0.543 174.024 174.600 -0.055 0.000 1.341 298 S CA -0.860 57.348 58.200 0.013 0.000 1.043 298 S CB 0.563 63.747 63.200 -0.027 0.000 0.887 298 S HN 0.611 nan 8.310 nan 0.000 0.516 299 Q N 0.876 120.572 119.800 -0.174 0.000 2.306 299 Q HA 0.503 4.843 4.340 -0.001 0.000 0.265 299 Q C -0.496 175.203 176.000 -0.501 0.000 1.022 299 Q CA -0.738 54.817 55.803 -0.413 0.000 0.853 299 Q CB 1.785 30.205 28.738 -0.529 0.000 1.327 299 Q HN 0.688 nan 8.270 nan 0.000 0.449 300 R N 2.935 123.059 120.500 -0.627 0.000 2.337 300 R HA 0.401 4.741 4.340 -0.001 0.000 0.319 300 R C -2.641 173.346 176.300 -0.522 0.000 0.954 300 R CA -1.847 53.894 56.100 -0.597 0.000 0.840 300 R CB 1.114 31.111 30.300 -0.505 0.000 1.164 300 R HN 0.462 nan 8.270 nan 0.000 0.472 301 P HA 0.089 nan 4.420 nan 0.000 0.276 301 P C -0.938 176.411 177.300 0.082 0.000 1.252 301 P CA -0.349 62.730 63.100 -0.035 0.000 0.802 301 P CB 1.004 32.782 31.700 0.130 0.000 1.035 302 N N 0.382 119.183 118.700 0.168 0.000 2.395 302 N HA 0.032 4.771 4.740 -0.001 0.000 0.246 302 N C -0.396 175.206 175.510 0.153 0.000 1.246 302 N CA 0.008 53.082 53.050 0.041 0.000 0.879 302 N CB -0.572 37.974 38.487 0.099 0.000 1.098 302 N HN 0.327 nan 8.380 nan 0.000 0.444 303 F N -0.458 119.587 119.950 0.159 0.000 3.039 303 F HA -0.247 4.279 4.527 -0.001 0.000 0.287 303 F C -0.211 175.690 175.800 0.168 0.000 0.956 303 F CA 0.174 58.259 58.000 0.142 0.000 0.971 303 F CB -2.390 36.680 39.000 0.117 0.000 0.943 303 F HN 0.482 nan 8.300 nan 0.000 0.766 304 Y N 2.282 122.646 120.300 0.108 0.000 2.569 304 Y HA 0.246 4.795 4.550 -0.001 0.000 0.332 304 Y C 0.825 176.789 175.900 0.106 0.000 1.120 304 Y CA -1.135 57.015 58.100 0.082 0.000 1.416 304 Y CB 0.262 38.730 38.460 0.013 0.000 1.210 304 Y HN 0.238 nan 8.280 nan 0.000 0.528 305 N N 5.982 124.485 118.700 -0.327 0.000 2.498 305 N HA -0.038 4.701 4.740 -0.001 0.000 0.277 305 N C 0.555 175.667 175.510 -0.665 0.000 1.208 305 N CA 0.290 53.155 53.050 -0.308 0.000 1.029 305 N CB 0.310 38.714 38.487 -0.139 0.000 1.403 305 N HN 0.697 nan 8.380 nan 0.000 0.500 306 V N 3.132 122.764 119.914 -0.470 0.000 2.548 306 V HA -0.103 4.016 4.120 -0.001 0.000 0.249 306 V C 0.590 176.648 176.094 -0.060 0.000 1.055 306 V CA 1.222 63.337 62.300 -0.307 0.000 1.065 306 V CB -0.871 31.005 31.823 0.089 0.000 0.681 306 V HN 0.780 nan 8.190 nan 0.000 0.462 307 H N 1.315 120.357 119.070 -0.047 0.000 3.195 307 H HA 0.408 4.963 4.556 -0.001 0.000 0.241 307 H C 0.390 175.755 175.328 0.061 0.000 1.823 307 H CA 0.172 56.256 56.048 0.059 0.000 1.466 307 H CB -0.635 29.213 29.762 0.143 0.000 1.819 307 H HN 0.614 nan 8.280 nan 0.000 0.575 308 S N 0.695 116.231 115.700 -0.275 0.000 2.726 308 S HA 0.178 4.647 4.470 -0.001 0.000 0.308 308 S C 1.332 175.314 174.600 -1.029 0.000 1.115 308 S CA -0.633 57.305 58.200 -0.437 0.000 0.965 308 S CB 1.763 64.799 63.200 -0.274 0.000 1.145 308 S HN 0.647 nan 8.310 nan 0.000 0.532 309 E N 1.093 120.658 120.200 -1.059 0.000 2.086 309 E HA -0.307 4.042 4.350 -0.001 0.000 0.200 309 E C 1.748 177.930 176.600 -0.697 0.000 1.012 309 E CA 2.035 57.709 56.400 -1.209 0.000 0.812 309 E CB -0.440 28.973 29.700 -0.480 0.000 0.743 309 E HN 0.861 nan 8.360 nan 0.000 0.453 310 E N -0.417 119.542 120.200 -0.400 0.000 2.219 310 E HA -0.214 4.135 4.350 -0.001 0.000 0.198 310 E C 1.216 177.691 176.600 -0.208 0.000 0.998 310 E CA 1.313 57.576 56.400 -0.230 0.000 0.818 310 E CB -0.154 29.462 29.700 -0.139 0.000 0.741 310 E HN 0.248 nan 8.360 nan 0.000 0.477 311 N N -0.588 117.951 118.700 -0.268 0.000 2.184 311 N HA 0.076 4.816 4.740 -0.001 0.000 0.206 311 N C 0.919 176.385 175.510 -0.074 0.000 1.151 311 N CA 0.006 52.959 53.050 -0.161 0.000 0.878 311 N CB -0.057 38.360 38.487 -0.117 0.000 1.014 311 N HN 0.344 nan 8.380 nan 0.000 0.512 312 Y N 1.689 121.907 120.300 -0.138 0.000 2.030 312 Y HA -0.275 4.275 4.550 -0.001 0.000 0.272 312 Y C 2.551 178.431 175.900 -0.032 0.000 1.185 312 Y CA 1.063 59.099 58.100 -0.106 0.000 1.120 312 Y CB 0.112 38.518 38.460 -0.090 0.000 0.955 312 Y HN 0.106 nan 8.280 nan 0.000 0.495 313 E N 1.128 121.414 120.200 0.142 0.000 2.072 313 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 313 E C 1.839 178.473 176.600 0.057 0.000 0.985 313 E CA 1.193 57.646 56.400 0.088 0.000 0.801 313 E CB -0.069 29.658 29.700 0.045 0.000 0.750 313 E HN 0.483 nan 8.360 nan 0.000 0.452 314 K N 0.221 120.613 120.400 -0.012 0.000 2.057 314 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 314 K C 2.370 178.918 176.600 -0.086 0.000 1.049 314 K CA 1.287 57.540 56.287 -0.057 0.000 0.931 314 K CB -0.146 32.266 32.500 -0.147 0.000 0.714 314 K HN 0.203 nan 8.250 nan 0.000 0.440 315 I N 0.901 121.395 120.570 -0.126 0.000 2.394 315 I HA -0.249 3.920 4.170 -0.001 0.000 0.251 315 I C 2.342 178.424 176.117 -0.059 0.000 1.136 315 I CA 1.118 62.278 61.300 -0.232 0.000 1.425 315 I CB -0.173 37.738 38.000 -0.149 0.000 1.079 315 I HN 0.151 nan 8.210 nan 0.000 0.425 316 R N 0.027 120.581 120.500 0.090 0.000 2.092 316 R HA -0.166 4.173 4.340 -0.001 0.000 0.231 316 R C 2.334 178.729 176.300 0.158 0.000 1.119 316 R CA 1.429 57.629 56.100 0.165 0.000 0.970 316 R CB -0.495 29.908 30.300 0.170 0.000 0.864 316 R HN 0.279 nan 8.270 nan 0.000 0.440 317 F N 1.861 121.820 119.950 0.016 0.000 2.102 317 F HA -0.151 4.375 4.527 -0.001 0.000 0.298 317 F C 1.857 177.715 175.800 0.096 0.000 1.105 317 F CA 1.405 59.432 58.000 0.046 0.000 1.239 317 F CB -0.331 38.660 39.000 -0.014 0.000 0.991 317 F HN -0.136 nan 8.300 nan 0.000 0.474 318 L N 0.137 121.226 121.223 -0.224 0.000 2.046 318 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 318 L C 2.231 179.159 176.870 0.096 0.000 1.077 318 L CA 1.826 56.508 54.840 -0.264 0.000 0.747 318 L CB -0.934 40.711 42.059 -0.690 0.000 0.896 318 L HN 0.192 nan 8.230 nan 0.000 0.432 319 D N 0.057 120.525 120.400 0.113 0.000 2.117 319 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 319 D C 2.159 178.588 176.300 0.215 0.000 0.987 319 D CA 1.357 55.529 54.000 0.286 0.000 0.829 319 D CB 0.137 41.148 40.800 0.352 0.000 0.961 319 D HN 0.241 nan 8.370 nan 0.000 0.460 320 A N -0.846 122.051 122.820 0.129 0.000 1.933 320 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 320 A C 2.224 179.865 177.584 0.096 0.000 1.175 320 A CA 1.274 53.374 52.037 0.105 0.000 0.628 320 A CB -1.304 17.746 19.000 0.084 0.000 0.814 320 A HN 0.483 nan 8.150 nan 0.000 0.444 321 Y N 0.612 120.828 120.300 -0.141 0.000 2.207 321 Y HA -0.226 4.323 4.550 -0.001 0.000 0.287 321 Y C 2.402 178.278 175.900 -0.040 0.000 1.156 321 Y CA 2.264 60.258 58.100 -0.175 0.000 1.182 321 Y CB -0.025 38.213 38.460 -0.369 0.000 0.979 321 Y HN 0.489 nan 8.280 nan 0.000 0.521 322 E N -0.485 119.868 120.200 0.255 0.000 2.046 322 E HA -0.183 4.167 4.350 -0.001 0.000 0.190 322 E C 1.914 178.609 176.600 0.157 0.000 0.982 322 E CA 1.070 57.591 56.400 0.202 0.000 0.800 322 E CB -0.277 29.611 29.700 0.314 0.000 0.756 322 E HN 0.577 nan 8.360 nan 0.000 0.449 323 N N 0.150 118.953 118.700 0.172 0.000 2.149 323 N HA -0.220 4.519 4.740 -0.001 0.000 0.188 323 N C 1.857 177.419 175.510 0.086 0.000 1.019 323 N CA 1.042 54.169 53.050 0.128 0.000 0.857 323 N CB -0.175 38.385 38.487 0.121 0.000 0.997 323 N HN 0.170 nan 8.380 nan 0.000 0.426 324 Y N 0.896 121.192 120.300 -0.007 0.000 2.128 324 Y HA -0.251 4.299 4.550 -0.001 0.000 0.284 324 Y C 2.162 178.010 175.900 -0.085 0.000 1.154 324 Y CA 1.446 59.509 58.100 -0.061 0.000 1.149 324 Y CB -0.590 37.811 38.460 -0.099 0.000 0.976 324 Y HN -0.011 nan 8.280 nan 0.000 0.505 325 F N -0.294 119.531 119.950 -0.208 0.000 2.146 325 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 325 F C 2.167 177.877 175.800 -0.150 0.000 1.096 325 F CA 1.667 59.516 58.000 -0.252 0.000 1.275 325 F CB -0.611 38.321 39.000 -0.114 0.000 1.008 325 F HN -0.069 nan 8.300 nan 0.000 0.480 326 V N 0.110 120.020 119.914 -0.006 0.000 2.358 326 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 326 V C 2.185 178.190 176.094 -0.149 0.000 1.047 326 V CA 2.135 64.435 62.300 -0.000 0.000 1.035 326 V CB -0.767 31.135 31.823 0.132 0.000 0.658 326 V HN 0.370 nan 8.190 nan 0.000 0.452 327 Q N -0.232 119.454 119.800 -0.190 0.000 2.167 327 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 327 Q C 2.417 178.193 176.000 -0.374 0.000 0.970 327 Q CA 1.502 57.171 55.803 -0.223 0.000 0.855 327 Q CB -0.364 28.267 28.738 -0.178 0.000 0.911 327 Q HN 0.677 nan 8.270 nan 0.000 0.438 328 A N 0.797 123.267 122.820 -0.583 0.000 1.877 328 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 328 A C 1.986 179.109 177.584 -0.769 0.000 1.186 328 A CA 1.110 52.695 52.037 -0.753 0.000 0.620 328 A CB -0.564 17.880 19.000 -0.927 0.000 0.822 328 A HN 0.242 nan 8.150 nan 0.000 0.443 329 L N -0.574 120.195 121.223 -0.757 0.000 2.042 329 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 329 L C 2.640 179.218 176.870 -0.487 0.000 1.076 329 L CA 2.327 56.711 54.840 -0.760 0.000 0.749 329 L CB -0.960 40.729 42.059 -0.617 0.000 0.893 329 L HN 0.513 nan 8.230 nan 0.000 0.432 330 Q N 0.509 120.146 119.800 -0.271 0.000 2.020 330 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 330 Q C 1.874 177.799 176.000 -0.124 0.000 0.982 330 Q CA 1.914 57.651 55.803 -0.108 0.000 0.838 330 Q CB -0.158 28.536 28.738 -0.073 0.000 0.899 330 Q HN 0.619 nan 8.270 nan 0.000 0.423 331 K N -1.664 118.618 120.400 -0.197 0.000 2.505 331 K HA 0.224 4.543 4.320 -0.001 0.000 0.192 331 K C 0.783 177.278 176.600 -0.176 0.000 1.025 331 K CA 0.625 56.816 56.287 -0.160 0.000 1.086 331 K CB -0.040 32.362 32.500 -0.165 0.000 0.840 331 K HN 0.266 nan 8.250 nan 0.000 0.514 332 G N 0.683 109.332 108.800 -0.252 0.000 2.166 332 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.260 332 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.260 332 G C -0.175 174.544 174.900 -0.303 0.000 0.986 332 G CA 0.466 45.429 45.100 -0.229 0.000 0.683 332 G HN 0.467 nan 8.290 nan 0.000 0.527 333 V N -0.609 118.994 119.914 -0.518 0.000 2.891 333 V HA 0.743 4.862 4.120 -0.001 0.000 0.304 333 V C -1.232 174.438 176.094 -0.708 0.000 1.171 333 V CA -1.494 60.427 62.300 -0.632 0.000 0.943 333 V CB 1.400 32.842 31.823 -0.635 0.000 1.037 333 V HN 0.381 nan 8.190 nan 0.000 0.427 334 F N 4.421 124.101 119.950 -0.450 0.000 2.404 334 F HA 0.611 5.137 4.527 -0.001 0.000 0.358 334 F C 0.698 176.278 175.800 -0.367 0.000 1.120 334 F CA -0.262 57.463 58.000 -0.458 0.000 1.144 334 F CB 1.152 39.742 39.000 -0.684 0.000 1.133 334 F HN 0.477 nan 8.300 nan 0.000 0.495 335 E N 1.668 121.870 120.200 0.005 0.000 2.195 335 E HA 0.726 5.075 4.350 -0.001 0.000 0.271 335 E C 0.082 176.779 176.600 0.161 0.000 0.923 335 E CA -0.881 55.525 56.400 0.011 0.000 0.790 335 E CB 2.226 31.902 29.700 -0.041 0.000 1.155 335 E HN 0.825 nan 8.360 nan 0.000 0.402 336 G N 0.712 109.553 108.800 0.069 0.000 2.408 336 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.682 336 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.682 336 G C -0.371 174.614 174.900 0.141 0.000 1.303 336 G CA -0.623 44.471 45.100 -0.010 0.000 0.966 336 G HN 0.582 nan 8.290 nan 0.000 0.560 337 F N -0.742 119.224 119.950 0.027 0.000 3.093 337 F HA -0.066 4.460 4.527 -0.001 0.000 0.287 337 F C 2.144 177.967 175.800 0.038 0.000 0.882 337 F CA 2.252 60.286 58.000 0.056 0.000 1.063 337 F CB -1.433 37.614 39.000 0.079 0.000 1.097 337 F HN 2.553 nan 8.300 nan 0.000 0.604 338 G N -0.242 108.624 108.800 0.110 0.000 2.153 338 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.252 338 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.252 338 G C 0.082 175.011 174.900 0.048 0.000 0.994 338 G CA 0.702 45.848 45.100 0.076 0.000 0.698 338 G HN 0.996 nan 8.290 nan 0.000 0.521 339 Q N -2.505 117.311 119.800 0.027 0.000 2.737 339 Q HA 0.747 5.086 4.340 -0.001 0.000 0.307 339 Q C -1.262 174.685 176.000 -0.088 0.000 0.905 339 Q CA -0.897 54.888 55.803 -0.030 0.000 0.753 339 Q CB 1.071 29.784 28.738 -0.041 0.000 1.463 339 Q HN 0.212 nan 8.270 nan 0.000 0.455 340 T N 1.269 115.745 114.554 -0.130 0.000 3.078 340 T HA 0.514 4.864 4.350 -0.001 0.000 0.328 340 T C -0.931 173.612 174.700 -0.263 0.000 0.987 340 T CA -0.372 61.599 62.100 -0.215 0.000 1.049 340 T CB 0.201 68.950 68.868 -0.198 0.000 1.011 340 T HN 0.391 nan 8.240 nan 0.000 0.463 341 I N 3.323 123.707 120.570 -0.310 0.000 2.378 341 I HA 0.438 4.607 4.170 -0.001 0.000 0.291 341 I C -0.598 175.355 176.117 -0.274 0.000 0.992 341 I CA -1.060 60.112 61.300 -0.213 0.000 1.154 341 I CB 1.242 39.145 38.000 -0.163 0.000 1.315 341 I HN 0.479 nan 8.210 nan 0.000 0.448 342 Y N 4.822 125.092 120.300 -0.050 0.000 2.301 342 Y HA 0.209 4.758 4.550 -0.001 0.000 0.328 342 Y C 1.355 177.245 175.900 -0.015 0.000 1.242 342 Y CA -0.321 57.730 58.100 -0.081 0.000 1.323 342 Y CB 0.865 39.294 38.460 -0.050 0.000 1.266 342 Y HN 0.481 nan 8.280 nan 0.000 0.527 343 L N 1.054 122.336 121.223 0.098 0.000 2.129 343 L HA -0.301 4.038 4.340 -0.001 0.000 0.212 343 L C 1.519 178.561 176.870 0.287 0.000 1.087 343 L CA 1.823 56.781 54.840 0.197 0.000 0.757 343 L CB -0.482 41.616 42.059 0.066 0.000 0.896 343 L HN 0.724 nan 8.230 nan 0.000 0.434 344 N N -1.550 117.264 118.700 0.192 0.000 2.398 344 N HA -0.074 4.665 4.740 -0.001 0.000 0.188 344 N C 0.398 176.006 175.510 0.163 0.000 1.122 344 N CA 0.035 53.173 53.050 0.147 0.000 0.866 344 N CB -0.543 37.989 38.487 0.075 0.000 0.970 344 N HN 0.266 nan 8.380 nan 0.000 0.462 345 D N 0.584 121.105 120.400 0.203 0.000 2.423 345 D HA -0.059 4.580 4.640 -0.001 0.000 0.238 345 D C 0.814 177.219 176.300 0.174 0.000 1.142 345 D CA 0.307 54.410 54.000 0.172 0.000 0.884 345 D CB 1.002 41.900 40.800 0.165 0.000 1.199 345 D HN 0.342 nan 8.370 nan 0.000 0.438 346 S N 2.534 118.314 115.700 0.134 0.000 2.515 346 S HA -0.096 4.373 4.470 -0.001 0.000 0.231 346 S C 1.106 175.793 174.600 0.145 0.000 0.987 346 S CA 0.658 58.937 58.200 0.131 0.000 0.936 346 S CB 0.062 63.318 63.200 0.094 0.000 0.766 346 S HN 0.465 nan 8.310 nan 0.000 0.528 347 K N 0.570 121.055 120.400 0.142 0.000 2.358 347 K HA 0.488 4.807 4.320 -0.001 0.000 0.197 347 K C 1.925 178.629 176.600 0.174 0.000 1.025 347 K CA 0.421 56.789 56.287 0.135 0.000 1.104 347 K CB 0.165 32.720 32.500 0.092 0.000 0.855 347 K HN 0.362 nan 8.250 nan 0.000 0.531 348 A N 1.720 124.681 122.820 0.235 0.000 1.873 348 A HA -0.236 4.083 4.320 -0.001 0.000 0.215 348 A C 1.999 179.717 177.584 0.224 0.000 1.186 348 A CA 1.940 54.155 52.037 0.297 0.000 0.616 348 A CB -0.619 18.684 19.000 0.506 0.000 0.823 348 A HN 0.311 nan 8.150 nan 0.000 0.442 349 N N -0.082 118.848 118.700 0.383 0.000 2.061 349 N HA -0.138 4.602 4.740 -0.001 0.000 0.193 349 N C 1.879 177.549 175.510 0.267 0.000 1.030 349 N CA 1.981 55.296 53.050 0.441 0.000 0.856 349 N CB -0.232 38.554 38.487 0.499 0.000 1.023 349 N HN 0.334 nan 8.380 nan 0.000 0.424 350 S N -0.972 114.852 115.700 0.206 0.000 2.423 350 S HA -0.038 4.431 4.470 -0.001 0.000 0.231 350 S C 1.485 176.075 174.600 -0.016 0.000 1.014 350 S CA 0.429 58.708 58.200 0.131 0.000 0.965 350 S CB -0.394 62.874 63.200 0.113 0.000 0.785 350 S HN 0.462 nan 8.310 nan 0.000 0.495 351 F N 2.264 122.109 119.950 -0.176 0.000 2.146 351 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 351 F C 2.237 177.731 175.800 -0.510 0.000 1.096 351 F CA 1.431 59.214 58.000 -0.362 0.000 1.275 351 F CB -0.612 38.123 39.000 -0.441 0.000 1.008 351 F HN 0.092 nan 8.300 nan 0.000 0.480 352 V N 0.140 119.608 119.914 -0.744 0.000 2.427 352 V HA -0.001 4.118 4.120 -0.001 0.000 0.248 352 V C 2.275 178.007 176.094 -0.602 0.000 1.051 352 V CA 2.147 63.940 62.300 -0.844 0.000 1.048 352 V CB -1.494 29.808 31.823 -0.868 0.000 0.666 352 V HN 0.372 nan 8.190 nan 0.000 0.456 353 G N 0.457 109.044 108.800 -0.356 0.000 2.404 353 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.215 353 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.215 353 G C 1.391 176.039 174.900 -0.420 0.000 1.174 353 G CA 0.904 45.947 45.100 -0.095 0.000 0.780 353 G HN 0.567 nan 8.290 nan 0.000 0.537 354 N N -0.422 118.056 118.700 -0.370 0.000 2.244 354 N HA -0.084 4.655 4.740 -0.001 0.000 0.183 354 N C 1.709 176.905 175.510 -0.522 0.000 1.016 354 N CA 0.803 53.627 53.050 -0.377 0.000 0.866 354 N CB -0.434 37.860 38.487 -0.322 0.000 0.980 354 N HN 0.483 nan 8.380 nan 0.000 0.430 355 Y N 0.062 119.806 120.300 -0.925 0.000 2.109 355 Y HA -0.174 4.375 4.550 -0.001 0.000 0.285 355 Y C 1.901 177.439 175.900 -0.604 0.000 1.131 355 Y CA 1.559 59.032 58.100 -1.046 0.000 1.121 355 Y CB -0.811 36.734 38.460 -1.526 0.000 0.987 355 Y HN 0.004 nan 8.280 nan 0.000 0.495 356 W N 0.823 121.798 121.300 -0.541 0.000 2.364 356 W HA -0.203 4.457 4.660 -0.001 0.000 0.281 356 W C 2.639 178.980 176.519 -0.296 0.000 1.219 356 W CA 1.662 58.744 57.345 -0.439 0.000 1.220 356 W CB -0.242 29.031 29.460 -0.311 0.000 1.127 356 W HN 0.215 nan 8.180 nan 0.000 0.556 357 Q N 0.242 119.942 119.800 -0.167 0.000 2.402 357 Q HA -0.076 4.263 4.340 -0.001 0.000 0.206 357 Q C 0.245 176.274 176.000 0.048 0.000 0.919 357 Q CA 0.943 56.767 55.803 0.035 0.000 0.923 357 Q CB 0.024 28.774 28.738 0.020 0.000 1.048 357 Q HN 0.070 nan 8.270 nan 0.000 0.515 358 D N 1.269 121.622 120.400 -0.078 0.000 2.723 358 D HA -0.179 4.460 4.640 -0.001 0.000 0.236 358 D C -0.906 175.509 176.300 0.191 0.000 1.138 358 D CA 0.914 54.930 54.000 0.026 0.000 0.676 358 D CB -1.182 39.695 40.800 0.128 0.000 1.069 358 D HN 0.627 nan 8.370 nan 0.000 0.430 359 N N -1.002 117.777 118.700 0.130 0.000 2.379 359 N HA 0.554 5.293 4.740 -0.001 0.000 0.260 359 N C 1.513 177.167 175.510 0.239 0.000 1.254 359 N CA -0.005 53.191 53.050 0.245 0.000 0.958 359 N CB 0.327 38.919 38.487 0.175 0.000 1.208 359 N HN 0.018 nan 8.380 nan 0.000 0.532 360 A N -0.206 122.774 122.820 0.266 0.000 1.908 360 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 360 A C 1.421 179.119 177.584 0.191 0.000 1.181 360 A CA 1.746 53.951 52.037 0.280 0.000 0.627 360 A CB -0.888 18.258 19.000 0.243 0.000 0.818 360 A HN 0.769 nan 8.150 nan 0.000 0.445 361 D N -0.651 119.796 120.400 0.078 0.000 2.309 361 D HA -0.093 4.546 4.640 -0.001 0.000 0.212 361 D C 1.669 177.955 176.300 -0.025 0.000 0.968 361 D CA 0.842 54.857 54.000 0.024 0.000 0.882 361 D CB -0.150 40.641 40.800 -0.015 0.000 0.918 361 D HN 0.421 nan 8.370 nan 0.000 0.503 362 L N -0.416 120.735 121.223 -0.120 0.000 2.141 362 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 362 L C 1.275 177.959 176.870 -0.311 0.000 1.094 362 L CA 1.588 56.217 54.840 -0.352 0.000 0.763 362 L CB -0.361 41.306 42.059 -0.652 0.000 0.908 362 L HN -0.037 nan 8.230 nan 0.000 0.437 363 Y N -0.094 120.274 120.300 0.114 0.000 2.458 363 Y HA 0.466 5.015 4.550 -0.001 0.000 0.256 363 Y C 1.689 177.665 175.900 0.126 0.000 1.159 363 Y CA -0.121 58.075 58.100 0.160 0.000 1.261 363 Y CB -0.277 38.276 38.460 0.155 0.000 1.119 363 Y HN 0.173 nan 8.280 nan 0.000 0.524 364 G N 1.649 110.566 108.800 0.195 0.000 2.295 364 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.287 364 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.287 364 G C -0.030 174.966 174.900 0.161 0.000 1.055 364 G CA 0.616 45.803 45.100 0.144 0.000 0.922 364 G HN 0.531 nan 8.290 nan 0.000 0.503 365 E N -1.854 118.458 120.200 0.186 0.000 2.393 365 E HA 0.663 5.012 4.350 -0.001 0.000 0.265 365 E C 0.874 177.577 176.600 0.170 0.000 0.941 365 E CA -0.405 56.103 56.400 0.181 0.000 0.801 365 E CB 0.667 30.489 29.700 0.203 0.000 1.313 365 E HN 0.259 nan 8.360 nan 0.000 0.435 366 E N 0.044 120.366 120.200 0.204 0.000 2.276 366 E HA 0.069 4.418 4.350 -0.001 0.000 0.193 366 E C 0.575 177.418 176.600 0.405 0.000 0.983 366 E CA 0.452 56.995 56.400 0.239 0.000 0.861 366 E CB 0.536 30.415 29.700 0.297 0.000 0.817 366 E HN 0.345 nan 8.360 nan 0.000 0.485 367 V N -0.785 119.365 119.914 0.393 0.000 2.971 367 V HA 0.537 4.656 4.120 -0.001 0.000 0.309 367 V C -0.082 176.175 176.094 0.272 0.000 1.130 367 V CA -0.575 61.988 62.300 0.440 0.000 0.964 367 V CB 1.289 33.378 31.823 0.444 0.000 1.029 367 V HN 0.233 nan 8.190 nan 0.000 0.427 368 T N 1.272 115.991 114.554 0.276 0.000 2.860 368 T HA 0.612 4.961 4.350 -0.001 0.000 0.299 368 T C -0.184 174.509 174.700 -0.012 0.000 1.045 368 T CA -0.303 61.882 62.100 0.143 0.000 1.071 368 T CB 0.926 69.949 68.868 0.259 0.000 0.985 368 T HN 0.822 nan 8.240 nan 0.000 0.537 369 K N 0.560 120.822 120.400 -0.230 0.000 2.185 369 K HA 0.435 4.754 4.320 -0.001 0.000 0.240 369 K C 0.840 177.239 176.600 -0.335 0.000 0.983 369 K CA -0.843 55.245 56.287 -0.332 0.000 0.873 369 K CB 0.838 32.946 32.500 -0.654 0.000 1.118 369 K HN 0.463 nan 8.250 nan 0.000 0.441 370 D N 0.112 120.389 120.400 -0.205 0.000 2.123 370 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 370 D C 1.486 177.724 176.300 -0.102 0.000 0.992 370 D CA 1.624 55.563 54.000 -0.102 0.000 0.833 370 D CB -0.141 40.651 40.800 -0.013 0.000 0.954 370 D HN 0.653 nan 8.370 nan 0.000 0.455 371 Y N 0.037 120.301 120.300 -0.060 0.000 2.583 371 Y HA 0.211 4.760 4.550 -0.001 0.000 0.293 371 Y C 0.325 176.187 175.900 -0.064 0.000 1.157 371 Y CA -0.091 57.968 58.100 -0.069 0.000 1.315 371 Y CB -0.863 37.557 38.460 -0.066 0.000 1.021 371 Y HN -0.165 nan 8.280 nan 0.000 0.536 372 Q N 2.505 122.078 119.800 -0.378 0.000 2.553 372 Q HA 0.163 4.502 4.340 -0.001 0.000 0.221 372 Q C -0.401 175.605 176.000 0.009 0.000 1.219 372 Q CA -0.340 55.347 55.803 -0.193 0.000 0.955 372 Q CB 0.505 28.959 28.738 -0.473 0.000 1.399 372 Q HN 0.315 nan 8.270 nan 0.000 0.551 373 R N 1.345 121.872 120.500 0.044 0.000 2.538 373 R HA 0.035 4.374 4.340 -0.001 0.000 0.282 373 R C -0.347 176.061 176.300 0.179 0.000 1.009 373 R CA 0.319 56.399 56.100 -0.033 0.000 1.063 373 R CB 0.565 30.658 30.300 -0.345 0.000 0.945 373 R HN 0.337 nan 8.270 nan 0.000 0.414 374 S N 3.569 119.308 115.700 0.064 0.000 2.442 374 S HA 0.083 4.552 4.470 -0.001 0.000 0.297 374 S C 0.618 175.233 174.600 0.025 0.000 1.131 374 S CA -0.803 57.440 58.200 0.073 0.000 1.092 374 S CB 0.751 63.941 63.200 -0.017 0.000 0.998 374 S HN 0.691 nan 8.310 nan 0.000 0.478 375 Y N 4.448 124.516 120.300 -0.388 0.000 2.128 375 Y HA -0.135 4.414 4.550 -0.001 0.000 0.284 375 Y C 1.946 177.685 175.900 -0.268 0.000 1.154 375 Y CA 2.386 60.132 58.100 -0.591 0.000 1.149 375 Y CB -0.124 37.547 38.460 -1.315 0.000 0.976 375 Y HN 0.850 nan 8.280 nan 0.000 0.505 376 E N 0.130 120.285 120.200 -0.075 0.000 2.077 376 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 376 E C 2.248 178.674 176.600 -0.290 0.000 0.989 376 E CA 1.658 57.978 56.400 -0.132 0.000 0.800 376 E CB -0.238 29.498 29.700 0.060 0.000 0.746 376 E HN 0.555 nan 8.360 nan 0.000 0.452 377 I N 0.805 121.214 120.570 -0.268 0.000 2.179 377 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 377 I C 2.375 178.273 176.117 -0.364 0.000 1.088 377 I CA 0.873 61.968 61.300 -0.342 0.000 1.357 377 I CB -0.256 37.624 38.000 -0.198 0.000 1.051 377 I HN -0.005 nan 8.210 nan 0.000 0.409 378 V N 1.076 120.808 119.914 -0.304 0.000 2.427 378 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 378 V C 2.701 178.570 176.094 -0.376 0.000 1.051 378 V CA 1.809 63.924 62.300 -0.308 0.000 1.048 378 V CB -0.942 30.756 31.823 -0.207 0.000 0.666 378 V HN 0.470 nan 8.190 nan 0.000 0.456 379 A N 0.464 123.012 122.820 -0.453 0.000 1.898 379 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 379 A C 2.362 179.807 177.584 -0.232 0.000 1.181 379 A CA 1.676 53.489 52.037 -0.374 0.000 0.620 379 A CB -0.458 18.319 19.000 -0.372 0.000 0.819 379 A HN 0.526 nan 8.150 nan 0.000 0.442 380 R N -0.698 119.607 120.500 -0.326 0.000 2.152 380 R HA -0.143 4.196 4.340 -0.001 0.000 0.232 380 R C 2.428 178.547 176.300 -0.302 0.000 1.117 380 R CA 1.380 57.274 56.100 -0.344 0.000 0.981 380 R CB -0.305 29.638 30.300 -0.595 0.000 0.870 380 R HN 0.728 nan 8.270 nan 0.000 0.451 381 Q N 0.609 120.222 119.800 -0.311 0.000 2.016 381 Q HA -0.132 4.207 4.340 -0.001 0.000 0.200 381 Q C 2.293 178.202 176.000 -0.152 0.000 0.978 381 Q CA 1.935 57.591 55.803 -0.246 0.000 0.833 381 Q CB 0.060 28.643 28.738 -0.258 0.000 0.895 381 Q HN 0.340 nan 8.270 nan 0.000 0.427 382 V N -0.925 118.907 119.914 -0.137 0.000 2.548 382 V HA -0.130 3.989 4.120 -0.001 0.000 0.249 382 V C 1.886 178.022 176.094 0.070 0.000 1.055 382 V CA 1.264 63.548 62.300 -0.026 0.000 1.065 382 V CB -0.376 31.408 31.823 -0.064 0.000 0.681 382 V HN 0.342 nan 8.190 nan 0.000 0.462 383 L N 0.989 122.227 121.223 0.025 0.000 2.217 383 L HA 0.135 4.474 4.340 -0.001 0.000 0.211 383 L C 2.713 179.516 176.870 -0.113 0.000 1.107 383 L CA 1.245 56.074 54.840 -0.018 0.000 0.783 383 L CB -0.987 41.023 42.059 -0.083 0.000 0.919 383 L HN 0.513 nan 8.230 nan 0.000 0.442 384 G N -0.930 107.796 108.800 -0.123 0.000 2.471 384 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.219 384 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.219 384 G C 1.236 176.030 174.900 -0.176 0.000 1.125 384 G CA 0.624 45.644 45.100 -0.133 0.000 0.775 384 G HN 0.485 nan 8.290 nan 0.000 0.548 385 A N -2.124 120.587 122.820 -0.183 0.000 3.153 385 A HA 0.044 4.363 4.320 -0.001 0.000 0.265 385 A C 1.176 178.684 177.584 -0.126 0.000 1.212 385 A CA 1.357 53.231 52.037 -0.272 0.000 1.018 385 A CB -1.907 16.640 19.000 -0.754 0.000 1.130 385 A HN 1.882 nan 8.150 nan 0.000 0.873 386 A N -0.119 122.662 122.820 -0.066 0.000 2.371 386 A HA 0.619 4.938 4.320 -0.001 0.000 0.257 386 A C -1.295 176.299 177.584 0.017 0.000 1.089 386 A CA -0.658 51.370 52.037 -0.015 0.000 0.794 386 A CB -0.216 18.795 19.000 0.018 0.000 1.029 386 A HN 0.380 nan 8.150 nan 0.000 0.488 387 P HA 0.188 nan 4.420 nan 0.000 0.270 387 P C -0.473 176.855 177.300 0.047 0.000 1.223 387 P CA -0.374 62.750 63.100 0.040 0.000 0.785 387 P CB 0.412 32.141 31.700 0.049 0.000 0.923 388 K N 1.664 122.083 120.400 0.031 0.000 2.469 388 K HA 0.181 4.500 4.320 -0.001 0.000 0.274 388 K C -2.227 174.417 176.600 0.072 0.000 0.983 388 K CA -1.169 55.136 56.287 0.029 0.000 0.974 388 K CB -1.067 31.430 32.500 -0.005 0.000 0.913 388 K HN 0.243 nan 8.250 nan 0.000 0.493 389 P HA -0.083 nan 4.420 nan 0.000 0.266 389 P C -0.247 177.134 177.300 0.135 0.000 1.195 389 P CA -0.181 63.003 63.100 0.140 0.000 0.768 389 P CB 0.274 32.042 31.700 0.113 0.000 0.838 390 F N 2.375 122.338 119.950 0.022 0.000 2.134 390 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 390 F C 0.802 176.595 175.800 -0.011 0.000 1.097 390 F CA 1.825 59.826 58.000 0.002 0.000 1.264 390 F CB 0.243 39.242 39.000 -0.002 0.000 1.001 390 F HN 0.422 nan 8.300 nan 0.000 0.479 391 D N -2.020 118.432 120.400 0.087 0.000 2.779 391 D HA 0.089 4.729 4.640 -0.001 0.000 0.331 391 D C 0.215 176.508 176.300 -0.011 0.000 1.331 391 D CA -0.304 53.667 54.000 -0.047 0.000 0.866 391 D CB 0.362 41.120 40.800 -0.069 0.000 1.409 391 D HN 0.084 nan 8.370 nan 0.000 0.486 392 K N -0.690 119.633 120.400 -0.129 0.000 2.280 392 K HA -0.121 4.199 4.320 -0.001 0.000 0.202 392 K C 0.979 177.529 176.600 -0.083 0.000 1.047 392 K CA 1.245 57.419 56.287 -0.188 0.000 0.942 392 K CB -0.419 31.858 32.500 -0.372 0.000 0.739 392 K HN 0.509 nan 8.250 nan 0.000 0.457 393 Y N 1.101 121.438 120.300 0.060 0.000 2.449 393 Y HA 0.159 4.708 4.550 -0.001 0.000 0.254 393 Y C 0.184 176.152 175.900 0.114 0.000 1.140 393 Y CA -0.728 57.423 58.100 0.085 0.000 1.272 393 Y CB 1.195 39.695 38.460 0.068 0.000 1.114 393 Y HN -0.070 nan 8.280 nan 0.000 0.525 394 T N 2.394 117.108 114.554 0.268 0.000 2.812 394 T HA 0.484 4.833 4.350 -0.001 0.000 0.282 394 T C -0.992 173.834 174.700 0.211 0.000 0.990 394 T CA -0.446 61.752 62.100 0.164 0.000 0.960 394 T CB 1.040 69.991 68.868 0.137 0.000 0.948 394 T HN 0.141 nan 8.240 nan 0.000 0.438 395 F N 0.060 119.962 119.950 -0.081 0.000 2.693 395 F HA 0.670 5.197 4.527 -0.001 0.000 0.309 395 F C -1.101 174.648 175.800 -0.084 0.000 1.129 395 F CA -1.717 56.215 58.000 -0.114 0.000 0.948 395 F CB 1.706 40.509 39.000 -0.328 0.000 1.315 395 F HN 0.486 nan 8.300 nan 0.000 0.447 396 M N 5.563 125.152 119.600 -0.018 0.000 2.077 396 M HA 0.448 4.927 4.480 -0.001 0.000 0.348 396 M C -2.654 173.632 176.300 -0.023 0.000 1.252 396 M CA -1.729 53.516 55.300 -0.091 0.000 1.096 396 M CB 1.234 33.833 32.600 -0.001 0.000 1.568 396 M HN 0.486 nan 8.290 nan 0.000 0.456 397 P HA 0.259 nan 4.420 nan 0.000 0.276 397 P C -1.359 175.757 177.300 -0.307 0.000 1.244 397 P CA -0.319 62.660 63.100 -0.203 0.000 0.801 397 P CB 1.273 32.711 31.700 -0.437 0.000 1.006 398 S N -0.528 115.088 115.700 -0.139 0.000 2.709 398 S HA 0.612 5.081 4.470 -0.001 0.000 0.302 398 S C 1.156 175.893 174.600 0.228 0.000 1.127 398 S CA -0.212 58.022 58.200 0.056 0.000 0.905 398 S CB 1.106 64.310 63.200 0.005 0.000 1.151 398 S HN 0.415 nan 8.310 nan 0.000 0.510 399 A N 0.007 123.037 122.820 0.350 0.000 2.070 399 A HA 0.101 4.421 4.320 -0.001 0.000 0.220 399 A C 1.668 179.353 177.584 0.168 0.000 1.159 399 A CA 0.966 53.216 52.037 0.355 0.000 0.656 399 A CB -0.869 18.280 19.000 0.247 0.000 0.800 399 A HN 0.654 nan 8.150 nan 0.000 0.453 400 L N -0.119 121.119 121.223 0.024 0.000 2.599 400 L HA 0.042 4.382 4.340 -0.001 0.000 0.230 400 L C 0.892 177.619 176.870 -0.237 0.000 1.141 400 L CA 1.076 55.848 54.840 -0.113 0.000 0.877 400 L CB -0.363 41.592 42.059 -0.172 0.000 1.009 400 L HN 0.297 nan 8.230 nan 0.000 0.447 401 D N -1.054 119.221 120.400 -0.207 0.000 2.340 401 D HA 0.067 4.706 4.640 -0.001 0.000 0.220 401 D C -0.279 175.669 176.300 -0.588 0.000 1.039 401 D CA 0.493 54.263 54.000 -0.384 0.000 0.866 401 D CB 0.335 40.752 40.800 -0.638 0.000 0.913 401 D HN 0.131 nan 8.370 nan 0.000 0.523 402 F N -1.209 118.848 119.950 0.178 0.000 2.569 402 F HA 0.215 4.741 4.527 -0.001 0.000 0.312 402 F C 0.474 176.323 175.800 0.081 0.000 1.109 402 F CA -1.042 57.033 58.000 0.125 0.000 0.919 402 F CB 0.857 39.911 39.000 0.090 0.000 1.211 402 F HN -0.278 nan 8.300 nan 0.000 0.446 403 Y N 0.586 121.078 120.300 0.320 0.000 2.421 403 Y HA -0.138 4.411 4.550 -0.001 0.000 0.292 403 Y C 2.300 178.385 175.900 0.308 0.000 1.136 403 Y CA 1.049 59.279 58.100 0.216 0.000 1.255 403 Y CB 0.054 38.489 38.460 -0.042 0.000 0.991 403 Y HN 0.533 nan 8.280 nan 0.000 0.552 404 Q N -0.531 119.487 119.800 0.364 0.000 2.444 404 Q HA 0.001 4.340 4.340 -0.001 0.000 0.206 404 Q C 0.966 176.825 176.000 -0.235 0.000 0.948 404 Q CA 1.444 57.276 55.803 0.049 0.000 0.946 404 Q CB -0.468 28.134 28.738 -0.227 0.000 1.027 404 Q HN 0.531 nan 8.270 nan 0.000 0.513 405 T N -4.857 109.680 114.554 -0.028 0.000 3.041 405 T HA 0.234 4.583 4.350 -0.001 0.000 0.276 405 T C 1.600 176.271 174.700 -0.049 0.000 0.948 405 T CA 0.266 62.323 62.100 -0.072 0.000 0.885 405 T CB 0.134 69.040 68.868 0.064 0.000 1.175 405 T HN 0.042 nan 8.240 nan 0.000 0.529 406 S N 2.246 117.912 115.700 -0.058 0.000 2.365 406 S HA -0.028 4.441 4.470 -0.001 0.000 0.225 406 S C 1.488 175.709 174.600 -0.631 0.000 1.039 406 S CA 1.190 59.221 58.200 -0.281 0.000 1.033 406 S CB -0.504 62.511 63.200 -0.309 0.000 0.887 406 S HN 0.303 nan 8.310 nan 0.000 0.447 407 L N 1.330 122.114 121.223 -0.732 0.000 2.633 407 L HA 0.094 4.433 4.340 -0.001 0.000 0.235 407 L C 2.046 178.776 176.870 -0.233 0.000 1.163 407 L CA 1.059 55.465 54.840 -0.723 0.000 0.859 407 L CB -0.685 41.068 42.059 -0.510 0.000 0.973 407 L HN 0.163 nan 8.230 nan 0.000 0.451 408 R N -1.256 119.118 120.500 -0.209 0.000 2.210 408 R HA 0.033 4.372 4.340 -0.001 0.000 0.203 408 R C 0.383 176.491 176.300 -0.319 0.000 1.010 408 R CA 0.133 56.165 56.100 -0.113 0.000 1.008 408 R CB 0.150 30.441 30.300 -0.014 0.000 0.923 408 R HN 0.219 nan 8.270 nan 0.000 0.469 409 D N 0.332 120.479 120.400 -0.421 0.000 2.249 409 D HA 0.103 4.742 4.640 -0.001 0.000 0.246 409 D C -1.927 174.311 176.300 -0.102 0.000 1.114 409 D CA -2.356 51.312 54.000 -0.554 0.000 0.854 409 D CB 1.959 42.535 40.800 -0.373 0.000 1.132 409 D HN -0.191 nan 8.370 nan 0.000 0.461 410 P HA -0.117 nan 4.420 nan 0.000 0.216 410 P C 1.249 178.617 177.300 0.114 0.000 1.150 410 P CA 1.584 64.787 63.100 0.172 0.000 0.837 410 P CB 0.110 31.884 31.700 0.123 0.000 0.786 411 T N -3.733 110.801 114.554 -0.034 0.000 3.007 411 T HA -0.177 4.172 4.350 -0.001 0.000 0.270 411 T C 1.587 176.197 174.700 -0.149 0.000 1.107 411 T CA 0.486 62.494 62.100 -0.152 0.000 1.118 411 T CB -1.398 67.316 68.868 -0.257 0.000 0.889 411 T HN 0.031 nan 8.240 nan 0.000 0.506 412 F N 1.914 121.731 119.950 -0.221 0.000 2.102 412 F HA -0.065 4.461 4.527 -0.001 0.000 0.298 412 F C 1.862 177.523 175.800 -0.232 0.000 1.105 412 F CA 0.794 58.635 58.000 -0.266 0.000 1.239 412 F CB -0.603 38.106 39.000 -0.484 0.000 0.991 412 F HN 0.139 nan 8.300 nan 0.000 0.474 413 Y N 0.639 120.682 120.300 -0.430 0.000 2.314 413 Y HA -0.130 4.419 4.550 -0.001 0.000 0.293 413 Y C 2.589 178.304 175.900 -0.308 0.000 1.129 413 Y CA 1.466 59.255 58.100 -0.519 0.000 1.201 413 Y CB -0.967 37.138 38.460 -0.593 0.000 0.999 413 Y HN 0.189 nan 8.280 nan 0.000 0.541 414 Q N -0.469 119.301 119.800 -0.049 0.000 2.167 414 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 414 Q C 2.145 178.164 176.000 0.031 0.000 0.970 414 Q CA 1.322 57.133 55.803 0.015 0.000 0.855 414 Q CB -0.234 28.507 28.738 0.005 0.000 0.911 414 Q HN 0.452 nan 8.270 nan 0.000 0.438 415 L N -0.891 120.247 121.223 -0.142 0.000 2.044 415 L HA -0.121 4.218 4.340 -0.001 0.000 0.205 415 L C 1.680 178.296 176.870 -0.423 0.000 1.075 415 L CA 1.752 56.482 54.840 -0.184 0.000 0.747 415 L CB -0.451 41.399 42.059 -0.349 0.000 0.903 415 L HN 0.099 nan 8.230 nan 0.000 0.435 416 Y N -0.179 119.863 120.300 -0.430 0.000 2.373 416 Y HA -0.116 4.433 4.550 -0.001 0.000 0.293 416 Y C 2.641 178.332 175.900 -0.347 0.000 1.129 416 Y CA 1.498 59.301 58.100 -0.494 0.000 1.226 416 Y CB -0.611 37.365 38.460 -0.806 0.000 1.000 416 Y HN 0.424 nan 8.280 nan 0.000 0.549 417 N N 0.838 119.434 118.700 -0.174 0.000 2.244 417 N HA -0.192 4.547 4.740 -0.001 0.000 0.183 417 N C 2.139 177.524 175.510 -0.208 0.000 1.016 417 N CA 0.757 53.717 53.050 -0.149 0.000 0.866 417 N CB -0.076 38.354 38.487 -0.096 0.000 0.980 417 N HN 0.345 nan 8.380 nan 0.000 0.430 418 R N 0.626 120.990 120.500 -0.227 0.000 2.075 418 R HA 0.000 4.339 4.340 -0.001 0.000 0.232 418 R C 2.330 178.383 176.300 -0.412 0.000 1.126 418 R CA 0.799 56.704 56.100 -0.324 0.000 0.963 418 R CB -0.106 30.045 30.300 -0.250 0.000 0.858 418 R HN 0.244 nan 8.270 nan 0.000 0.435 419 I N 0.796 121.141 120.570 -0.375 0.000 2.163 419 I HA -0.267 3.902 4.170 -0.001 0.000 0.240 419 I C 2.011 177.909 176.117 -0.365 0.000 1.081 419 I CA 0.820 61.771 61.300 -0.581 0.000 1.353 419 I CB -0.210 37.511 38.000 -0.466 0.000 1.054 419 I HN 0.175 nan 8.210 nan 0.000 0.407 420 I N 1.203 121.686 120.570 -0.145 0.000 2.454 420 I HA -0.159 4.010 4.170 -0.001 0.000 0.254 420 I C 2.660 178.807 176.117 0.050 0.000 1.156 420 I CA 1.358 62.691 61.300 0.055 0.000 1.433 420 I CB -2.100 35.888 38.000 -0.021 0.000 1.082 420 I HN 0.228 nan 8.210 nan 0.000 0.432 421 G N 0.222 108.932 108.800 -0.149 0.000 2.446 421 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 421 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 421 G C 1.593 176.448 174.900 -0.074 0.000 1.168 421 G CA 0.622 45.607 45.100 -0.191 0.000 0.771 421 G HN 0.274 nan 8.290 nan 0.000 0.551 422 Y N -0.685 119.606 120.300 -0.014 0.000 2.242 422 Y HA 0.073 4.622 4.550 -0.001 0.000 0.291 422 Y C 2.419 178.574 175.900 0.424 0.000 1.137 422 Y CA 0.396 58.592 58.100 0.160 0.000 1.181 422 Y CB -0.688 37.672 38.460 -0.166 0.000 0.989 422 Y HN 0.176 nan 8.280 nan 0.000 0.527 423 F N 1.201 121.334 119.950 0.303 0.000 2.102 423 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 423 F C 2.021 178.176 175.800 0.591 0.000 1.105 423 F CA 1.440 59.740 58.000 0.500 0.000 1.239 423 F CB -0.653 38.628 39.000 0.467 0.000 0.991 423 F HN 0.025 nan 8.300 nan 0.000 0.474 424 N N 0.147 119.281 118.700 0.722 0.000 2.223 424 N HA -0.168 4.571 4.740 -0.001 0.000 0.185 424 N C 1.828 177.697 175.510 0.598 0.000 1.016 424 N CA 1.075 54.509 53.050 0.640 0.000 0.863 424 N CB -0.459 38.233 38.487 0.342 0.000 0.983 424 N HN 0.503 nan 8.380 nan 0.000 0.429 425 Q N -0.555 119.572 119.800 0.546 0.000 2.079 425 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 425 Q C 1.749 178.147 176.000 0.662 0.000 0.974 425 Q CA 0.838 56.959 55.803 0.530 0.000 0.840 425 Q CB -0.220 28.825 28.738 0.511 0.000 0.898 425 Q HN 0.363 nan 8.270 nan 0.000 0.430 426 F N 2.182 122.481 119.950 0.582 0.000 2.126 426 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 426 F C 1.762 177.859 175.800 0.495 0.000 1.096 426 F CA 1.323 59.617 58.000 0.489 0.000 1.255 426 F CB -0.045 39.275 39.000 0.534 0.000 0.997 426 F HN -0.158 nan 8.300 nan 0.000 0.479 427 K N 0.922 121.456 120.400 0.223 0.000 2.211 427 K HA -0.228 4.091 4.320 -0.001 0.000 0.204 427 K C 1.890 178.424 176.600 -0.110 0.000 1.047 427 K CA 1.723 57.982 56.287 -0.047 0.000 0.935 427 K CB -0.793 31.814 32.500 0.178 0.000 0.728 427 K HN 0.674 nan 8.250 nan 0.000 0.452 428 Q N -0.994 118.840 119.800 0.057 0.000 2.472 428 Q HA -0.068 4.271 4.340 -0.001 0.000 0.208 428 Q C 0.859 176.745 176.000 -0.191 0.000 0.958 428 Q CA 0.899 56.649 55.803 -0.088 0.000 0.932 428 Q CB -0.167 28.538 28.738 -0.055 0.000 1.007 428 Q HN 0.313 nan 8.270 nan 0.000 0.508 429 Y N 0.865 121.062 120.300 -0.170 0.000 2.482 429 Y HA 0.260 4.810 4.550 -0.001 0.000 0.270 429 Y C 0.876 176.658 175.900 -0.196 0.000 1.152 429 Y CA -0.191 57.817 58.100 -0.153 0.000 1.292 429 Y CB 0.420 38.810 38.460 -0.116 0.000 1.070 429 Y HN 0.018 nan 8.280 nan 0.000 0.528 430 L N 0.233 121.369 121.223 -0.145 0.000 2.454 430 L HA 0.197 4.536 4.340 -0.001 0.000 0.256 430 L C 0.507 177.293 176.870 -0.140 0.000 1.136 430 L CA -0.905 53.840 54.840 -0.159 0.000 0.804 430 L CB 0.551 42.469 42.059 -0.234 0.000 1.181 430 L HN -0.025 nan 8.230 nan 0.000 0.469 431 E N 3.387 123.526 120.200 -0.101 0.000 2.328 431 E HA 0.106 4.455 4.350 -0.001 0.000 0.265 431 E C -2.283 174.230 176.600 -0.146 0.000 1.057 431 E CA -1.314 55.032 56.400 -0.090 0.000 0.916 431 E CB 0.437 30.114 29.700 -0.038 0.000 0.993 431 E HN 0.128 nan 8.360 nan 0.000 0.446 432 P HA 0.035 nan 4.420 nan 0.000 0.274 432 P C -0.828 176.382 177.300 -0.149 0.000 1.231 432 P CA -0.125 62.817 63.100 -0.263 0.000 0.790 432 P CB 0.465 32.026 31.700 -0.231 0.000 0.951 433 H N -0.070 118.917 119.070 -0.138 0.000 3.046 433 H HA 0.127 4.682 4.556 -0.001 0.000 0.303 433 H C 1.057 176.337 175.328 -0.079 0.000 1.002 433 H CA -0.398 55.593 56.048 -0.094 0.000 1.460 433 H CB 0.251 29.932 29.762 -0.135 0.000 1.493 433 H HN 0.423 nan 8.280 nan 0.000 0.559 434 S N 2.923 118.677 115.700 0.090 0.000 2.603 434 S HA -0.007 4.462 4.470 -0.001 0.000 0.268 434 S C 1.250 175.883 174.600 0.055 0.000 1.317 434 S CA -1.002 57.226 58.200 0.046 0.000 1.012 434 S CB 1.518 64.742 63.200 0.041 0.000 0.926 434 S HN 0.646 nan 8.310 nan 0.000 0.539 435 Q N 0.800 120.628 119.800 0.047 0.000 2.170 435 Q HA -0.123 4.216 4.340 -0.001 0.000 0.203 435 Q C 1.985 178.048 176.000 0.105 0.000 0.976 435 Q CA 1.595 57.435 55.803 0.062 0.000 0.858 435 Q CB -0.491 28.274 28.738 0.045 0.000 0.907 435 Q HN 0.961 nan 8.270 nan 0.000 0.433 436 E N 0.949 121.208 120.200 0.099 0.000 2.072 436 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 436 E C 1.511 178.194 176.600 0.138 0.000 0.985 436 E CA 0.877 57.358 56.400 0.134 0.000 0.801 436 E CB 0.205 29.960 29.700 0.093 0.000 0.750 436 E HN 0.263 nan 8.360 nan 0.000 0.452 437 K N -0.059 120.399 120.400 0.096 0.000 2.211 437 K HA -0.106 4.213 4.320 -0.001 0.000 0.203 437 K C 2.018 178.684 176.600 0.110 0.000 1.050 437 K CA 0.528 56.860 56.287 0.076 0.000 0.945 437 K CB 0.074 32.602 32.500 0.047 0.000 0.732 437 K HN 0.099 nan 8.250 nan 0.000 0.451 438 L N 0.348 121.654 121.223 0.138 0.000 2.270 438 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 438 L C 1.148 178.201 176.870 0.304 0.000 1.104 438 L CA 1.040 56.008 54.840 0.213 0.000 0.804 438 L CB -0.683 41.449 42.059 0.121 0.000 0.937 438 L HN 0.235 nan 8.230 nan 0.000 0.450 439 H N -0.388 118.770 119.070 0.146 0.000 2.886 439 H HA -0.055 4.500 4.556 -0.001 0.000 0.329 439 H C -0.799 174.651 175.328 0.203 0.000 1.044 439 H CA -0.393 55.750 56.048 0.158 0.000 1.456 439 H CB 0.431 30.265 29.762 0.120 0.000 1.464 439 H HN -0.064 nan 8.280 nan 0.000 0.573 440 F N 7.705 127.613 119.950 -0.070 0.000 2.308 440 F HA 0.130 4.656 4.527 -0.001 0.000 0.370 440 F C -0.463 175.114 175.800 -0.373 0.000 1.100 440 F CA -1.285 56.605 58.000 -0.183 0.000 1.108 440 F CB -0.207 38.739 39.000 -0.090 0.000 1.293 440 F HN 0.368 nan 8.300 nan 0.000 0.478 441 V N 4.138 123.957 119.914 -0.158 0.000 2.617 441 V HA 0.436 4.555 4.120 -0.001 0.000 0.304 441 V C 1.004 177.016 176.094 -0.135 0.000 1.040 441 V CA 0.395 62.544 62.300 -0.253 0.000 1.149 441 V CB 0.115 31.864 31.823 -0.123 0.000 0.914 441 V HN 1.337 nan 8.190 nan 0.000 0.487 442 G N 2.581 111.312 108.800 -0.115 0.000 2.179 442 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.260 442 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.260 442 G C 0.042 174.792 174.900 -0.249 0.000 0.977 442 G CA 0.023 45.041 45.100 -0.137 0.000 0.641 442 G HN 1.526 nan 8.290 nan 0.000 0.533 443 V N 0.897 120.587 119.914 -0.373 0.000 2.409 443 V HA 0.708 4.828 4.120 -0.001 0.000 0.291 443 V C 0.178 176.176 176.094 -0.160 0.000 1.020 443 V CA -0.485 61.552 62.300 -0.438 0.000 0.848 443 V CB 1.771 32.960 31.823 -1.057 0.000 0.990 443 V HN 0.435 nan 8.190 nan 0.000 0.430 444 K N 3.428 123.779 120.400 -0.083 0.000 2.422 444 K HA 0.753 5.072 4.320 -0.001 0.000 0.251 444 K C -1.682 174.935 176.600 0.027 0.000 0.933 444 K CA -0.633 55.664 56.287 0.017 0.000 0.798 444 K CB 2.532 35.056 32.500 0.040 0.000 1.238 444 K HN 0.421 nan 8.250 nan 0.000 0.428 445 V N 4.874 124.845 119.914 0.093 0.000 2.294 445 V HA 0.135 4.254 4.120 -0.001 0.000 0.272 445 V C 0.555 176.719 176.094 0.117 0.000 1.027 445 V CA -0.748 61.602 62.300 0.082 0.000 0.823 445 V CB 0.883 32.794 31.823 0.146 0.000 1.030 445 V HN 0.793 nan 8.190 nan 0.000 0.457 446 N N 3.348 122.065 118.700 0.027 0.000 2.270 446 N HA -0.005 4.735 4.740 -0.001 0.000 0.181 446 N C 0.562 176.039 175.510 -0.055 0.000 1.016 446 N CA 0.797 53.878 53.050 0.051 0.000 0.870 446 N CB 0.126 38.627 38.487 0.023 0.000 0.979 446 N HN 0.697 nan 8.380 nan 0.000 0.431 447 N N -1.223 117.267 118.700 -0.350 0.000 3.127 447 N HA 0.295 5.034 4.740 -0.001 0.000 0.239 447 N C -2.202 172.848 175.510 -0.767 0.000 1.407 447 N CA -0.427 52.208 53.050 -0.693 0.000 0.891 447 N CB 1.509 39.853 38.487 -0.239 0.000 1.447 447 N HN -0.321 nan 8.380 nan 0.000 0.507 448 V N 1.235 120.665 119.914 -0.807 0.000 2.655 448 V HA 0.518 4.638 4.120 -0.001 0.000 0.301 448 V C -0.934 175.096 176.094 -0.108 0.000 1.082 448 V CA -0.666 61.422 62.300 -0.353 0.000 0.899 448 V CB 1.739 33.419 31.823 -0.238 0.000 1.014 448 V HN 0.496 nan 8.190 nan 0.000 0.429 449 V N 5.387 125.279 119.914 -0.038 0.000 2.555 449 V HA 0.635 4.754 4.120 -0.001 0.000 0.302 449 V C -0.444 175.662 176.094 0.019 0.000 1.038 449 V CA -0.644 61.658 62.300 0.005 0.000 0.887 449 V CB 2.199 34.024 31.823 0.002 0.000 0.991 449 V HN 0.597 nan 8.190 nan 0.000 0.434 450 V N 3.390 123.298 119.914 -0.010 0.000 2.487 450 V HA 0.418 4.537 4.120 -0.001 0.000 0.298 450 V C -0.214 175.854 176.094 -0.043 0.000 1.028 450 V CA -0.859 61.409 62.300 -0.054 0.000 0.860 450 V CB 1.709 33.363 31.823 -0.282 0.000 0.991 450 V HN 0.825 nan 8.190 nan 0.000 0.427 451 D N 2.411 122.831 120.400 0.034 0.000 2.335 451 D HA 0.051 4.690 4.640 -0.001 0.000 0.236 451 D C 0.379 176.661 176.300 -0.030 0.000 1.297 451 D CA 0.037 54.059 54.000 0.038 0.000 0.906 451 D CB 0.611 41.482 40.800 0.118 0.000 1.164 451 D HN 0.467 nan 8.370 nan 0.000 0.469 452 K N 0.416 120.810 120.400 -0.010 0.000 2.451 452 K HA 0.022 4.341 4.320 -0.001 0.000 0.280 452 K C -0.742 175.834 176.600 -0.041 0.000 1.020 452 K CA -0.396 55.878 56.287 -0.022 0.000 1.008 452 K CB 0.245 32.719 32.500 -0.043 0.000 0.917 452 K HN 0.105 nan 8.250 nan 0.000 0.478 453 L N 5.475 126.666 121.223 -0.053 0.000 2.257 453 L HA 0.305 4.644 4.340 -0.001 0.000 0.290 453 L C -0.796 176.132 176.870 0.096 0.000 1.044 453 L CA -0.241 54.524 54.840 -0.125 0.000 0.810 453 L CB 1.340 43.259 42.059 -0.233 0.000 1.193 453 L HN 0.315 nan 8.230 nan 0.000 0.425 454 V N 2.068 122.057 119.914 0.126 0.000 2.686 454 V HA 0.667 4.786 4.120 -0.001 0.000 0.306 454 V C 0.094 176.312 176.094 0.207 0.000 1.065 454 V CA -0.772 61.635 62.300 0.178 0.000 0.894 454 V CB 2.185 34.092 31.823 0.140 0.000 1.004 454 V HN 0.809 nan 8.190 nan 0.000 0.424 455 T N 1.298 115.939 114.554 0.146 0.000 2.952 455 T HA 0.972 5.321 4.350 -0.001 0.000 0.286 455 T C -0.745 173.921 174.700 -0.057 0.000 1.024 455 T CA -0.634 61.487 62.100 0.035 0.000 1.029 455 T CB 2.148 71.028 68.868 0.019 0.000 1.094 455 T HN 1.180 nan 8.240 nan 0.000 0.515 456 F N -1.809 117.979 119.950 -0.268 0.000 2.799 456 F HA 0.705 5.232 4.527 -0.001 0.000 0.316 456 F C -2.371 173.265 175.800 -0.273 0.000 1.155 456 F CA -2.185 55.590 58.000 -0.374 0.000 0.916 456 F CB 0.529 39.380 39.000 -0.249 0.000 1.294 456 F HN 0.533 nan 8.300 nan 0.000 0.447 457 F N 1.577 121.664 119.950 0.228 0.000 2.404 457 F HA 0.592 5.118 4.527 -0.001 0.000 0.339 457 F C 0.011 175.816 175.800 0.008 0.000 1.105 457 F CA -0.429 57.624 58.000 0.089 0.000 1.087 457 F CB 1.726 40.853 39.000 0.211 0.000 1.143 457 F HN 0.680 nan 8.300 nan 0.000 0.491 458 E N 2.759 123.064 120.200 0.174 0.000 2.263 458 E HA 0.276 4.625 4.350 -0.001 0.000 0.268 458 E C -1.502 175.191 176.600 0.156 0.000 0.884 458 E CA -0.813 55.658 56.400 0.118 0.000 0.766 458 E CB 1.070 30.950 29.700 0.300 0.000 1.196 458 E HN 0.436 nan 8.360 nan 0.000 0.416 459 Y N 2.273 122.664 120.300 0.152 0.000 2.805 459 Y HA 0.035 4.585 4.550 -0.001 0.000 0.337 459 Y C -0.290 175.750 175.900 0.234 0.000 1.252 459 Y CA 0.770 58.971 58.100 0.169 0.000 1.515 459 Y CB 0.182 38.714 38.460 0.120 0.000 1.305 459 Y HN 0.421 nan 8.280 nan 0.000 0.600 460 Y N 2.261 122.718 120.300 0.261 0.000 2.479 460 Y HA 0.386 4.935 4.550 -0.001 0.000 0.338 460 Y C -1.487 174.490 175.900 0.130 0.000 1.055 460 Y CA -1.154 57.052 58.100 0.178 0.000 1.023 460 Y CB 1.305 39.869 38.460 0.173 0.000 1.287 460 Y HN 0.582 nan 8.280 nan 0.000 0.447 461 D N 5.611 125.742 120.400 -0.449 0.000 2.342 461 D HA 0.476 5.115 4.640 -0.001 0.000 0.243 461 D C -1.207 174.903 176.300 -0.317 0.000 1.019 461 D CA 0.004 53.813 54.000 -0.319 0.000 0.864 461 D CB 2.114 42.744 40.800 -0.282 0.000 1.315 461 D HN 0.444 nan 8.370 nan 0.000 0.468 462 F N -1.487 118.360 119.950 -0.171 0.000 2.631 462 F HA 0.391 4.917 4.527 -0.001 0.000 0.308 462 F C -0.731 175.110 175.800 0.068 0.000 1.097 462 F CA -1.233 56.767 58.000 0.001 0.000 0.952 462 F CB 1.281 40.402 39.000 0.201 0.000 1.307 462 F HN -0.059 nan 8.300 nan 0.000 0.450 463 D N 2.143 122.691 120.400 0.246 0.000 2.358 463 D HA 0.394 5.034 4.640 -0.001 0.000 0.258 463 D C 0.243 176.648 176.300 0.175 0.000 1.223 463 D CA 0.300 54.395 54.000 0.159 0.000 0.886 463 D CB 1.556 42.500 40.800 0.239 0.000 1.120 463 D HN 0.853 nan 8.370 nan 0.000 0.482 464 A N 3.108 125.918 122.820 -0.016 0.000 2.574 464 A HA 0.126 4.445 4.320 -0.001 0.000 0.283 464 A C 1.638 179.251 177.584 0.047 0.000 1.270 464 A CA -0.302 51.751 52.037 0.026 0.000 0.945 464 A CB -0.014 18.872 19.000 -0.189 0.000 1.127 464 A HN 0.546 nan 8.150 nan 0.000 0.522 465 T N 0.864 115.458 114.554 0.068 0.000 2.929 465 T HA -0.125 4.224 4.350 -0.001 0.000 0.271 465 T C 1.572 176.285 174.700 0.021 0.000 1.085 465 T CA 1.362 63.492 62.100 0.050 0.000 1.125 465 T CB -0.310 68.576 68.868 0.030 0.000 0.874 465 T HN 0.487 nan 8.240 nan 0.000 0.494 466 N N 0.899 119.613 118.700 0.024 0.000 2.520 466 N HA -0.037 4.702 4.740 -0.001 0.000 0.185 466 N C 1.789 177.301 175.510 0.004 0.000 1.068 466 N CA 0.737 53.784 53.050 -0.005 0.000 0.911 466 N CB -0.340 38.157 38.487 0.016 0.000 0.961 466 N HN 0.399 nan 8.380 nan 0.000 0.446 467 T N 0.182 114.767 114.554 0.051 0.000 2.788 467 T HA -0.021 4.328 4.350 -0.001 0.000 0.268 467 T C 1.149 175.976 174.700 0.210 0.000 1.044 467 T CA 0.594 62.758 62.100 0.105 0.000 1.139 467 T CB 0.219 69.104 68.868 0.029 0.000 0.867 467 T HN -0.085 nan 8.240 nan 0.000 0.454 468 V N 0.865 120.861 119.914 0.137 0.000 2.997 468 V HA 0.424 4.544 4.120 -0.001 0.000 0.311 468 V C -0.468 175.596 176.094 -0.050 0.000 1.066 468 V CA -0.848 61.563 62.300 0.184 0.000 1.039 468 V CB 1.154 33.092 31.823 0.191 0.000 1.081 468 V HN 0.212 nan 8.190 nan 0.000 0.467 469 F N 2.163 122.177 119.950 0.106 0.000 2.450 469 F HA 0.584 5.110 4.527 -0.001 0.000 0.332 469 F C 0.202 176.041 175.800 0.063 0.000 1.093 469 F CA -0.501 57.544 58.000 0.075 0.000 1.003 469 F CB 1.178 40.191 39.000 0.021 0.000 1.151 469 F HN 0.139 nan 8.300 nan 0.000 0.474 470 L N 1.542 122.904 121.223 0.232 0.000 2.379 470 L HA 0.448 4.787 4.340 -0.001 0.000 0.269 470 L C 0.474 177.418 176.870 0.123 0.000 1.084 470 L CA -0.663 54.271 54.840 0.157 0.000 0.802 470 L CB 1.234 43.381 42.059 0.146 0.000 1.175 470 L HN 0.548 nan 8.230 nan 0.000 0.448 471 T N 0.053 114.653 114.554 0.076 0.000 2.899 471 T HA -0.019 4.330 4.350 -0.001 0.000 0.295 471 T C 1.121 175.834 174.700 0.021 0.000 1.033 471 T CA -0.167 61.957 62.100 0.040 0.000 1.084 471 T CB 1.094 69.977 68.868 0.025 0.000 0.979 471 T HN 0.727 nan 8.240 nan 0.000 0.532 472 E N 1.242 121.443 120.200 0.002 0.000 2.160 472 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 472 E C 1.564 178.147 176.600 -0.029 0.000 0.991 472 E CA 1.217 57.607 56.400 -0.018 0.000 0.810 472 E CB 0.184 29.867 29.700 -0.028 0.000 0.742 472 E HN 0.503 nan 8.360 nan 0.000 0.466 473 E N 0.484 120.671 120.200 -0.022 0.000 2.107 473 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 473 E C 1.905 178.485 176.600 -0.033 0.000 0.982 473 E CA 0.871 57.254 56.400 -0.028 0.000 0.809 473 E CB -0.068 29.621 29.700 -0.018 0.000 0.756 473 E HN 0.456 nan 8.360 nan 0.000 0.459 474 E N 0.725 120.914 120.200 -0.018 0.000 2.150 474 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 474 E C 2.180 178.740 176.600 -0.067 0.000 0.985 474 E CA 0.428 56.814 56.400 -0.023 0.000 0.814 474 E CB -0.104 29.606 29.700 0.016 0.000 0.752 474 E HN 0.193 nan 8.360 nan 0.000 0.466 475 L N 0.841 122.030 121.223 -0.056 0.000 2.353 475 L HA -0.150 4.189 4.340 -0.001 0.000 0.220 475 L C 2.068 178.847 176.870 -0.152 0.000 1.133 475 L CA 0.957 55.738 54.840 -0.098 0.000 0.798 475 L CB -0.182 41.852 42.059 -0.042 0.000 0.922 475 L HN 0.045 nan 8.230 nan 0.000 0.445 476 K N -1.226 119.103 120.400 -0.117 0.000 2.305 476 K HA -0.009 4.310 4.320 -0.001 0.000 0.199 476 K C 1.138 177.663 176.600 -0.126 0.000 1.047 476 K CA 0.414 56.634 56.287 -0.113 0.000 0.976 476 K CB 0.168 32.620 32.500 -0.081 0.000 0.765 476 K HN 0.170 nan 8.250 nan 0.000 0.474 477 T N 0.634 115.105 114.554 -0.138 0.000 2.889 477 T HA 0.203 4.552 4.350 -0.001 0.000 0.278 477 T C -0.948 173.623 174.700 -0.215 0.000 0.995 477 T CA -0.996 61.024 62.100 -0.133 0.000 0.966 477 T CB 0.840 69.658 68.868 -0.083 0.000 1.237 477 T HN 0.104 nan 8.240 nan 0.000 0.591 478 K N 1.115 121.420 120.400 -0.159 0.000 2.295 478 K HA 0.160 4.479 4.320 -0.001 0.000 0.270 478 K C -0.830 175.680 176.600 -0.150 0.000 1.011 478 K CA -0.400 55.783 56.287 -0.172 0.000 0.953 478 K CB 0.025 32.499 32.500 -0.043 0.000 0.956 478 K HN 0.570 nan 8.250 nan 0.000 0.477 479 Y N 2.386 122.720 120.300 0.057 0.000 2.717 479 Y HA -0.056 4.494 4.550 -0.001 0.000 0.330 479 Y C -0.901 175.013 175.900 0.022 0.000 1.217 479 Y CA -1.298 56.795 58.100 -0.013 0.000 1.506 479 Y CB 0.190 38.592 38.460 -0.097 0.000 1.268 479 Y HN 0.663 nan 8.280 nan 0.000 0.561 480 P HA -0.202 nan 4.420 nan 0.000 0.217 480 P C -0.370 177.020 177.300 0.150 0.000 1.151 480 P CA 1.689 64.848 63.100 0.099 0.000 0.828 480 P CB 0.129 31.869 31.700 0.067 0.000 0.788 481 H N -1.538 117.609 119.070 0.128 0.000 2.741 481 H HA -0.155 4.400 4.556 -0.001 0.000 0.305 481 H C 1.293 176.671 175.328 0.083 0.000 1.169 481 H CA 0.590 56.713 56.048 0.125 0.000 1.144 481 H CB -2.744 27.104 29.762 0.144 0.000 1.397 481 H HN 0.202 nan 8.280 nan 0.000 0.409 482 N N -0.125 118.639 118.700 0.107 0.000 2.142 482 N HA -0.044 4.695 4.740 -0.001 0.000 0.186 482 N C 0.088 175.711 175.510 0.188 0.000 1.023 482 N CA 0.918 54.010 53.050 0.070 0.000 0.852 482 N CB 0.281 38.849 38.487 0.135 0.000 0.998 482 N HN 0.227 nan 8.380 nan 0.000 0.424 483 L N 0.849 122.212 121.223 0.232 0.000 2.325 483 L HA 0.451 4.790 4.340 -0.001 0.000 0.279 483 L C 0.101 177.082 176.870 0.184 0.000 1.054 483 L CA -0.152 54.861 54.840 0.288 0.000 0.804 483 L CB 1.081 43.295 42.059 0.258 0.000 1.200 483 L HN 0.007 nan 8.230 nan 0.000 0.436 484 K N 1.203 121.703 120.400 0.168 0.000 2.378 484 K HA 0.655 4.975 4.320 -0.001 0.000 0.252 484 K C -1.310 175.218 176.600 -0.120 0.000 0.931 484 K CA -0.647 55.615 56.287 -0.041 0.000 0.794 484 K CB 2.724 35.175 32.500 -0.082 0.000 1.181 484 K HN 0.271 nan 8.250 nan 0.000 0.425 485 V N 3.490 123.141 119.914 -0.439 0.000 2.435 485 V HA 0.417 4.536 4.120 -0.001 0.000 0.290 485 V C -0.333 175.542 176.094 -0.365 0.000 1.030 485 V CA -0.703 61.328 62.300 -0.449 0.000 0.881 485 V CB 1.523 32.847 31.823 -0.831 0.000 0.983 485 V HN 0.659 nan 8.190 nan 0.000 0.445 486 R N 4.218 124.539 120.500 -0.297 0.000 2.437 486 R HA 0.669 5.008 4.340 -0.001 0.000 0.310 486 R C -1.063 175.184 176.300 -0.088 0.000 0.955 486 R CA -0.446 55.478 56.100 -0.293 0.000 0.851 486 R CB 1.337 31.194 30.300 -0.738 0.000 1.161 486 R HN 0.822 nan 8.270 nan 0.000 0.446 487 Q N 4.132 124.017 119.800 0.142 0.000 2.345 487 Q HA 0.378 4.717 4.340 -0.001 0.000 0.275 487 Q C -2.692 173.520 176.000 0.353 0.000 1.063 487 Q CA -2.396 53.532 55.803 0.208 0.000 0.819 487 Q CB 3.054 31.863 28.738 0.118 0.000 1.356 487 Q HN 0.456 nan 8.270 nan 0.000 0.418 488 P HA 0.127 nan 4.420 nan 0.000 0.276 488 P C -0.924 176.649 177.300 0.456 0.000 1.253 488 P CA 0.027 63.295 63.100 0.280 0.000 0.766 488 P CB 0.600 32.397 31.700 0.161 0.000 0.845 489 R N 2.406 123.179 120.500 0.456 0.000 2.711 489 R HA 0.432 4.772 4.340 -0.001 0.000 0.284 489 R C -0.331 176.175 176.300 0.344 0.000 0.968 489 R CA -1.392 54.981 56.100 0.455 0.000 0.924 489 R CB 1.598 32.038 30.300 0.234 0.000 1.162 489 R HN 0.360 nan 8.270 nan 0.000 0.465 490 L N 1.963 123.343 121.223 0.261 0.000 2.514 490 L HA 0.052 4.391 4.340 -0.001 0.000 0.280 490 L C -0.198 176.530 176.870 -0.237 0.000 1.223 490 L CA 1.276 56.011 54.840 -0.175 0.000 0.864 490 L CB -0.087 41.949 42.059 -0.039 0.000 1.118 490 L HN 0.745 nan 8.230 nan 0.000 0.494 491 N N 0.631 119.024 118.700 -0.512 0.000 3.020 491 N HA 0.487 5.226 4.740 -0.001 0.000 0.248 491 N C -1.960 173.129 175.510 -0.702 0.000 1.480 491 N CA -0.730 51.968 53.050 -0.585 0.000 0.874 491 N CB 0.930 38.917 38.487 -0.833 0.000 1.433 491 N HN 0.844 nan 8.380 nan 0.000 0.530 492 H N -0.648 118.073 119.070 -0.582 0.000 3.008 492 H HA 0.304 4.859 4.556 -0.001 0.000 0.354 492 H C -1.506 173.903 175.328 0.136 0.000 1.252 492 H CA -0.660 55.268 56.048 -0.199 0.000 1.117 492 H CB 0.818 30.557 29.762 -0.038 0.000 1.857 492 H HN 0.484 nan 8.280 nan 0.000 0.547 493 Q N 1.172 121.122 119.800 0.250 0.000 2.299 493 Q HA 0.313 4.652 4.340 -0.001 0.000 0.246 493 Q C -2.319 173.741 176.000 0.100 0.000 0.935 493 Q CA -1.651 54.246 55.803 0.156 0.000 0.887 493 Q CB 0.897 29.737 28.738 0.169 0.000 1.223 493 Q HN 0.390 nan 8.270 nan 0.000 0.439 494 P HA -0.006 nan 4.420 nan 0.000 0.269 494 P C -1.235 176.121 177.300 0.094 0.000 1.215 494 P CA 0.223 63.264 63.100 -0.099 0.000 0.780 494 P CB 0.322 31.924 31.700 -0.164 0.000 0.898 495 F N -0.878 119.051 119.950 -0.036 0.000 2.631 495 F HA 0.591 5.118 4.527 -0.001 0.000 0.308 495 F C -0.741 175.043 175.800 -0.026 0.000 1.097 495 F CA -1.145 56.848 58.000 -0.012 0.000 0.952 495 F CB 1.187 40.205 39.000 0.030 0.000 1.307 495 F HN 0.037 nan 8.300 nan 0.000 0.450 496 N N 1.623 120.425 118.700 0.170 0.000 2.472 496 N HA 0.615 5.354 4.740 -0.001 0.000 0.289 496 N C -1.291 174.357 175.510 0.229 0.000 1.156 496 N CA -0.443 52.670 53.050 0.105 0.000 0.940 496 N CB 2.428 40.950 38.487 0.059 0.000 1.200 496 N HN 0.663 nan 8.380 nan 0.000 0.511 497 I N 1.785 122.485 120.570 0.217 0.000 2.439 497 I HA 0.210 4.379 4.170 -0.001 0.000 0.285 497 I C -0.798 175.407 176.117 0.147 0.000 1.021 497 I CA -0.654 60.787 61.300 0.235 0.000 1.091 497 I CB 1.338 39.568 38.000 0.383 0.000 1.242 497 I HN 0.232 nan 8.210 nan 0.000 0.439 498 N N 7.251 126.003 118.700 0.086 0.000 2.426 498 N HA 0.519 5.258 4.740 -0.001 0.000 0.257 498 N C -0.899 174.617 175.510 0.011 0.000 1.002 498 N CA -0.230 52.846 53.050 0.043 0.000 0.942 498 N CB 1.293 39.791 38.487 0.019 0.000 1.112 498 N HN 0.410 nan 8.380 nan 0.000 0.499 499 I N 0.880 121.458 120.570 0.013 0.000 2.339 499 I HA 0.233 4.403 4.170 -0.001 0.000 0.290 499 I C -0.370 175.720 176.117 -0.045 0.000 0.994 499 I CA -0.689 60.596 61.300 -0.023 0.000 1.191 499 I CB 1.355 39.367 38.000 0.021 0.000 1.343 499 I HN 0.370 nan 8.210 nan 0.000 0.458 500 D N 8.457 128.807 120.400 -0.085 0.000 2.349 500 D HA 0.482 5.122 4.640 -0.001 0.000 0.232 500 D C -0.882 175.386 176.300 -0.053 0.000 1.071 500 D CA -0.234 53.728 54.000 -0.063 0.000 0.832 500 D CB 1.248 42.003 40.800 -0.076 0.000 1.086 500 D HN 0.364 nan 8.370 nan 0.000 0.504 501 I N 2.860 123.413 120.570 -0.028 0.000 2.436 501 I HA 0.205 4.374 4.170 -0.001 0.000 0.289 501 I C -0.242 175.863 176.117 -0.020 0.000 1.010 501 I CA -1.012 60.273 61.300 -0.025 0.000 1.098 501 I CB 2.078 40.062 38.000 -0.027 0.000 1.266 501 I HN 0.080 nan 8.210 nan 0.000 0.434 502 K N 5.741 126.128 120.400 -0.022 0.000 2.293 502 K HA 0.772 5.091 4.320 -0.001 0.000 0.267 502 K C -1.043 175.528 176.600 -0.048 0.000 1.010 502 K CA -0.217 56.057 56.287 -0.021 0.000 0.875 502 K CB 1.395 33.892 32.500 -0.005 0.000 1.106 502 K HN 0.675 nan 8.250 nan 0.000 0.450 503 A N 3.428 126.215 122.820 -0.054 0.000 2.354 503 A HA 0.492 4.811 4.320 -0.001 0.000 0.321 503 A C -0.338 177.210 177.584 -0.060 0.000 1.125 503 A CA -0.644 51.339 52.037 -0.089 0.000 0.799 503 A CB 0.893 19.830 19.000 -0.106 0.000 1.293 503 A HN 0.793 nan 8.150 nan 0.000 0.452 504 D N -0.476 119.882 120.400 -0.071 0.000 2.468 504 D HA 0.146 4.785 4.640 -0.001 0.000 0.243 504 D C 1.088 177.368 176.300 -0.034 0.000 0.994 504 D CA 1.912 55.887 54.000 -0.041 0.000 0.932 504 D CB -0.106 40.673 40.800 -0.035 0.000 1.078 504 D HN 0.531 nan 8.370 nan 0.000 0.473 505 V N -1.701 118.187 119.914 -0.044 0.000 3.096 505 V HA 0.860 4.979 4.120 -0.001 0.000 0.319 505 V C -0.356 175.725 176.094 -0.022 0.000 1.103 505 V CA -1.369 60.918 62.300 -0.021 0.000 1.016 505 V CB 1.493 33.313 31.823 -0.005 0.000 1.090 505 V HN 0.079 nan 8.190 nan 0.000 0.449 506 A N 1.718 124.538 122.820 0.001 0.000 2.301 506 A HA 0.868 5.188 4.320 -0.001 0.000 0.298 506 A C 0.301 177.909 177.584 0.040 0.000 1.185 506 A CA 0.309 52.353 52.037 0.011 0.000 0.830 506 A CB 0.173 19.180 19.000 0.011 0.000 1.112 506 A HN 1.782 nan 8.150 nan 0.000 0.508 507 T N -0.846 113.746 114.554 0.065 0.000 2.792 507 T HA 0.494 4.843 4.350 -0.001 0.000 0.303 507 T C -1.481 173.311 174.700 0.153 0.000 1.310 507 T CA -0.934 61.244 62.100 0.131 0.000 1.007 507 T CB 1.382 70.393 68.868 0.238 0.000 1.335 507 T HN 0.429 nan 8.240 nan 0.000 0.504 508 D N 1.132 121.646 120.400 0.190 0.000 2.313 508 D HA 0.584 5.223 4.640 -0.001 0.000 0.239 508 D C -0.124 176.336 176.300 0.266 0.000 1.142 508 D CA -0.042 54.086 54.000 0.213 0.000 0.847 508 D CB 1.589 42.581 40.800 0.319 0.000 1.082 508 D HN 0.875 nan 8.370 nan 0.000 0.480 509 A N 2.126 125.065 122.820 0.198 0.000 2.350 509 A HA 0.692 5.012 4.320 -0.001 0.000 0.318 509 A C -0.636 176.923 177.584 -0.042 0.000 1.132 509 A CA -0.661 51.477 52.037 0.168 0.000 0.811 509 A CB 1.552 20.732 19.000 0.301 0.000 1.313 509 A HN 0.335 nan 8.150 nan 0.000 0.454 510 V N 0.911 120.663 119.914 -0.270 0.000 2.487 510 V HA 0.550 4.669 4.120 -0.001 0.000 0.298 510 V C -0.437 175.349 176.094 -0.513 0.000 1.028 510 V CA -0.544 61.488 62.300 -0.447 0.000 0.860 510 V CB 1.304 32.675 31.823 -0.753 0.000 0.991 510 V HN 0.950 nan 8.190 nan 0.000 0.427 511 V N 5.764 125.386 119.914 -0.487 0.000 2.459 511 V HA 0.681 4.800 4.120 -0.001 0.000 0.295 511 V C -0.477 175.385 176.094 -0.386 0.000 1.029 511 V CA -0.368 61.651 62.300 -0.467 0.000 0.874 511 V CB 1.634 33.083 31.823 -0.623 0.000 0.985 511 V HN 0.907 nan 8.190 nan 0.000 0.438 512 K N 6.115 126.466 120.400 -0.083 0.000 2.318 512 K HA 0.685 5.004 4.320 -0.001 0.000 0.249 512 K C -1.327 175.303 176.600 0.050 0.000 0.942 512 K CA -0.728 55.540 56.287 -0.032 0.000 0.808 512 K CB 2.404 34.972 32.500 0.114 0.000 1.189 512 K HN 0.700 nan 8.250 nan 0.000 0.428 513 I N 3.182 123.666 120.570 -0.143 0.000 2.436 513 I HA 0.407 4.577 4.170 -0.001 0.000 0.289 513 I C -1.043 174.919 176.117 -0.259 0.000 1.010 513 I CA -0.724 60.542 61.300 -0.056 0.000 1.098 513 I CB 0.952 38.887 38.000 -0.107 0.000 1.266 513 I HN 0.392 nan 8.210 nan 0.000 0.434 514 F N 5.262 125.201 119.950 -0.018 0.000 2.611 514 F HA 0.627 5.153 4.527 -0.001 0.000 0.324 514 F C -0.026 175.673 175.800 -0.169 0.000 1.061 514 F CA -0.821 57.168 58.000 -0.018 0.000 0.954 514 F CB 2.053 41.168 39.000 0.192 0.000 1.301 514 F HN 0.285 nan 8.300 nan 0.000 0.482 515 M N 1.321 120.950 119.600 0.050 0.000 2.321 515 M HA 0.796 5.275 4.480 -0.001 0.000 0.315 515 M C -0.923 175.350 176.300 -0.045 0.000 1.052 515 M CA -0.119 55.039 55.300 -0.237 0.000 0.936 515 M CB 1.826 34.158 32.600 -0.446 0.000 1.639 515 M HN 0.758 nan 8.290 nan 0.000 0.433 516 G N 3.531 112.185 108.800 -0.243 0.000 2.733 516 G HA2 0.811 4.770 3.960 -0.001 0.000 0.288 516 G HA3 0.811 4.770 3.960 -0.001 0.000 0.288 516 G C -3.359 171.333 174.900 -0.346 0.000 1.373 516 G CA -1.195 43.542 45.100 -0.605 0.000 0.895 516 G HN 0.467 nan 8.290 nan 0.000 0.479 517 P HA 0.316 nan 4.420 nan 0.000 0.278 517 P C -0.230 176.970 177.300 -0.165 0.000 1.258 517 P CA -0.290 62.731 63.100 -0.133 0.000 0.811 517 P CB 2.627 34.322 31.700 -0.009 0.000 1.063 518 K N 0.537 120.767 120.400 -0.283 0.000 2.262 518 K HA 0.140 4.459 4.320 -0.001 0.000 0.200 518 K C -0.037 176.195 176.600 -0.612 0.000 1.058 518 K CA 1.135 57.129 56.287 -0.489 0.000 0.974 518 K CB -0.140 31.918 32.500 -0.736 0.000 0.910 518 K HN 0.404 nan 8.250 nan 0.000 0.484 519 Y N 0.730 120.950 120.300 -0.134 0.000 2.598 519 Y HA 0.317 4.867 4.550 -0.001 0.000 0.340 519 Y C 0.239 176.129 175.900 -0.017 0.000 1.038 519 Y CA -1.608 56.440 58.100 -0.087 0.000 1.100 519 Y CB 0.801 39.155 38.460 -0.177 0.000 1.281 519 Y HN 0.085 nan 8.280 nan 0.000 0.488 520 N N -0.384 118.451 118.700 0.225 0.000 2.374 520 N HA 0.055 4.795 4.740 -0.001 0.000 0.284 520 N C 0.717 176.334 175.510 0.178 0.000 1.280 520 N CA -0.121 53.049 53.050 0.201 0.000 0.963 520 N CB 0.050 38.647 38.487 0.183 0.000 1.141 520 N HN 0.777 nan 8.380 nan 0.000 0.565 521 E N -1.232 119.079 120.200 0.184 0.000 2.204 521 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 521 E C 0.087 176.742 176.600 0.092 0.000 0.990 521 E CA 1.086 57.568 56.400 0.137 0.000 0.821 521 E CB -0.443 29.344 29.700 0.144 0.000 0.750 521 E HN 0.475 nan 8.360 nan 0.000 0.477 522 N N 0.458 119.232 118.700 0.124 0.000 2.398 522 N HA 0.063 4.802 4.740 -0.001 0.000 0.188 522 N C 0.926 176.447 175.510 0.017 0.000 1.122 522 N CA 0.903 54.030 53.050 0.129 0.000 0.866 522 N CB 1.079 39.717 38.487 0.251 0.000 0.970 522 N HN 0.466 nan 8.380 nan 0.000 0.462 523 G N 0.136 108.899 108.800 -0.061 0.000 2.157 523 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.248 523 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.248 523 G C -0.128 174.466 174.900 -0.509 0.000 0.979 523 G CA -0.260 44.624 45.100 -0.361 0.000 0.650 523 G HN 0.261 nan 8.290 nan 0.000 0.529 524 F N 0.673 120.626 119.950 0.004 0.000 2.403 524 F HA 0.586 5.112 4.527 -0.001 0.000 0.326 524 F C -1.695 174.256 175.800 0.252 0.000 1.081 524 F CA -2.476 55.576 58.000 0.087 0.000 1.041 524 F CB 1.175 40.195 39.000 0.033 0.000 1.234 524 F HN -0.207 nan 8.300 nan 0.000 0.503 525 P HA -0.063 nan 4.420 nan 0.000 0.263 525 P C -0.322 177.058 177.300 0.133 0.000 1.175 525 P CA 0.275 63.505 63.100 0.217 0.000 0.761 525 P CB 0.340 32.130 31.700 0.150 0.000 0.794 526 I N 2.883 123.479 120.570 0.043 0.000 2.882 526 I HA 0.088 4.257 4.170 -0.001 0.000 0.286 526 I C 0.708 176.859 176.117 0.056 0.000 1.139 526 I CA 1.157 62.492 61.300 0.059 0.000 1.379 526 I CB 0.364 38.387 38.000 0.039 0.000 1.410 526 I HN 0.194 nan 8.210 nan 0.000 0.594 527 T N 6.611 121.212 114.554 0.078 0.000 2.890 527 T HA 0.353 4.702 4.350 -0.001 0.000 0.295 527 T C 1.217 175.988 174.700 0.119 0.000 0.993 527 T CA -0.467 61.673 62.100 0.066 0.000 0.979 527 T CB 0.693 69.590 68.868 0.049 0.000 0.967 527 T HN 0.422 nan 8.240 nan 0.000 0.441 528 L N 2.457 123.752 121.223 0.120 0.000 2.129 528 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 528 L C 2.253 179.274 176.870 0.251 0.000 1.087 528 L CA 1.480 56.438 54.840 0.197 0.000 0.757 528 L CB -0.248 41.888 42.059 0.129 0.000 0.896 528 L HN 0.620 nan 8.230 nan 0.000 0.434 529 E N 0.005 120.302 120.200 0.162 0.000 2.153 529 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 529 E C 1.607 178.380 176.600 0.287 0.000 0.988 529 E CA 1.092 57.597 56.400 0.174 0.000 0.811 529 E CB -0.084 29.661 29.700 0.075 0.000 0.746 529 E HN 0.490 nan 8.360 nan 0.000 0.466 530 N N -0.198 118.628 118.700 0.211 0.000 2.227 530 N HA 0.012 4.751 4.740 -0.001 0.000 0.196 530 N C -0.020 175.509 175.510 0.032 0.000 1.142 530 N CA 0.347 53.484 53.050 0.144 0.000 0.887 530 N CB 0.737 39.264 38.487 0.067 0.000 1.022 530 N HN 0.057 nan 8.380 nan 0.000 0.500 531 D N 0.091 120.550 120.400 0.099 0.000 2.501 531 D HA 0.049 4.688 4.640 -0.001 0.000 0.224 531 D C 1.566 177.947 176.300 0.135 0.000 1.202 531 D CA -0.327 53.692 54.000 0.032 0.000 0.829 531 D CB -0.066 40.799 40.800 0.108 0.000 1.023 531 D HN 0.375 nan 8.370 nan 0.000 0.499 532 W N 1.479 122.899 121.300 0.199 0.000 2.350 532 W HA -0.159 4.500 4.660 -0.002 0.000 0.289 532 W C 1.323 177.991 176.519 0.249 0.000 1.215 532 W CA 0.536 58.014 57.345 0.221 0.000 1.236 532 W CB -0.933 28.635 29.460 0.181 0.000 1.130 532 W HN -0.034 nan 8.180 nan 0.000 0.541 533 M N 1.172 120.367 119.600 -0.675 0.000 2.659 533 M HA 0.145 4.624 4.480 -0.001 0.000 0.243 533 M C 0.440 176.622 176.300 -0.196 0.000 1.111 533 M CA 1.233 56.200 55.300 -0.554 0.000 1.070 533 M CB -1.102 30.859 32.600 -1.065 0.000 1.525 533 M HN 0.002 nan 8.290 nan 0.000 0.517 534 K N 0.648 121.009 120.400 -0.065 0.000 2.576 534 K HA 0.293 4.612 4.320 -0.001 0.000 0.209 534 K C -1.101 175.414 176.600 -0.142 0.000 1.049 534 K CA -0.198 56.037 56.287 -0.085 0.000 1.140 534 K CB 0.184 32.655 32.500 -0.048 0.000 0.871 534 K HN 0.149 nan 8.250 nan 0.000 0.479 535 F N 0.726 120.632 119.950 -0.074 0.000 2.388 535 F HA 0.252 4.778 4.527 -0.001 0.000 0.358 535 F C 0.051 176.002 175.800 0.250 0.000 1.122 535 F CA -1.358 56.622 58.000 -0.034 0.000 1.056 535 F CB 0.577 39.148 39.000 -0.715 0.000 1.155 535 F HN -0.057 nan 8.300 nan 0.000 0.461 536 F N 4.100 124.171 119.950 0.201 0.000 2.421 536 F HA 0.227 4.753 4.527 -0.001 0.000 0.358 536 F C 0.546 176.430 175.800 0.139 0.000 1.115 536 F CA -0.816 57.243 58.000 0.099 0.000 1.160 536 F CB 0.302 39.319 39.000 0.029 0.000 1.123 536 F HN 0.488 nan 8.300 nan 0.000 0.508 537 E N 5.797 125.788 120.200 -0.349 0.000 2.324 537 E HA 0.103 4.452 4.350 -0.001 0.000 0.271 537 E C 0.233 176.340 176.600 -0.822 0.000 1.028 537 E CA 0.007 55.976 56.400 -0.719 0.000 0.890 537 E CB 0.748 30.129 29.700 -0.531 0.000 1.004 537 E HN 0.871 nan 8.360 nan 0.000 0.431 538 M N 2.298 121.520 119.600 -0.630 0.000 2.470 538 M HA 0.223 4.702 4.480 -0.001 0.000 0.262 538 M C -0.244 175.793 176.300 -0.438 0.000 1.211 538 M CA -0.078 54.999 55.300 -0.372 0.000 1.125 538 M CB 0.815 33.286 32.600 -0.215 0.000 1.480 538 M HN 0.344 nan 8.290 nan 0.000 0.541 539 D N -1.151 118.969 120.400 -0.468 0.000 2.661 539 D HA 0.378 5.017 4.640 -0.001 0.000 0.228 539 D C -2.253 174.055 176.300 0.013 0.000 1.210 539 D CA -0.066 53.809 54.000 -0.208 0.000 0.826 539 D CB 2.437 43.084 40.800 -0.255 0.000 1.542 539 D HN 0.012 nan 8.370 nan 0.000 0.447 540 W N 5.520 126.824 121.300 0.006 0.000 3.089 540 W HA 0.504 5.163 4.660 -0.001 0.000 0.333 540 W C -2.192 174.445 176.519 0.197 0.000 1.053 540 W CA -1.399 55.961 57.345 0.025 0.000 1.257 540 W CB 0.343 29.810 29.460 0.011 0.000 1.281 540 W HN 0.311 nan 8.180 nan 0.000 0.427 541 F N 2.189 122.341 119.950 0.336 0.000 2.678 541 F HA 0.727 5.253 4.527 -0.001 0.000 0.308 541 F C -0.338 175.504 175.800 0.071 0.000 1.118 541 F CA -1.039 57.038 58.000 0.128 0.000 0.959 541 F CB 0.800 39.856 39.000 0.092 0.000 1.305 541 F HN 0.147 nan 8.300 nan 0.000 0.443 542 T N -0.779 113.839 114.554 0.106 0.000 2.922 542 T HA 0.640 4.990 4.350 -0.001 0.000 0.285 542 T C -1.277 173.527 174.700 0.173 0.000 1.005 542 T CA -0.259 61.791 62.100 -0.083 0.000 1.061 542 T CB 1.378 70.006 68.868 -0.401 0.000 1.007 542 T HN 1.102 nan 8.240 nan 0.000 0.502 543 H N -0.488 118.568 119.070 -0.023 0.000 3.085 543 H HA 0.407 4.963 4.556 -0.001 0.000 0.356 543 H C -1.314 174.035 175.328 0.036 0.000 1.178 543 H CA -0.723 55.366 56.048 0.069 0.000 1.214 543 H CB 1.515 31.364 29.762 0.146 0.000 1.881 543 H HN 0.679 nan 8.280 nan 0.000 0.538 544 K N 4.531 124.688 120.400 -0.404 0.000 2.258 544 K HA 0.382 4.701 4.320 -0.001 0.000 0.284 544 K C -0.396 176.097 176.600 -0.177 0.000 1.051 544 K CA -0.406 55.759 56.287 -0.204 0.000 0.923 544 K CB 1.093 33.489 32.500 -0.173 0.000 1.046 544 K HN 0.393 nan 8.250 nan 0.000 0.474 545 I N 2.804 123.380 120.570 0.010 0.000 2.359 545 I HA 0.135 4.304 4.170 -0.001 0.000 0.294 545 I C 0.563 176.687 176.117 0.010 0.000 0.987 545 I CA -0.578 60.754 61.300 0.052 0.000 1.225 545 I CB 1.684 39.710 38.000 0.043 0.000 1.366 545 I HN 0.651 nan 8.210 nan 0.000 0.466 546 T N 3.254 117.816 114.554 0.013 0.000 2.895 546 T HA 0.513 4.862 4.350 -0.001 0.000 0.283 546 T C -2.662 172.036 174.700 -0.002 0.000 1.014 546 T CA -2.435 59.667 62.100 0.003 0.000 1.037 546 T CB 1.581 70.453 68.868 0.006 0.000 1.006 546 T HN 0.164 nan 8.240 nan 0.000 0.468 547 P HA 0.426 nan 4.420 nan 0.000 0.266 547 P C 0.937 178.233 177.300 -0.006 0.000 1.195 547 P CA 1.308 64.401 63.100 -0.012 0.000 0.768 547 P CB 0.207 31.902 31.700 -0.008 0.000 0.838 548 G N 1.705 110.499 108.800 -0.010 0.000 2.464 548 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 548 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 548 G C -0.825 174.074 174.900 -0.002 0.000 1.186 548 G CA -0.551 44.547 45.100 -0.004 0.000 1.010 548 G HN 0.644 nan 8.290 nan 0.000 0.585 549 Q N 1.060 120.864 119.800 0.005 0.000 2.267 549 Q HA 0.646 4.986 4.340 -0.001 0.000 0.255 549 Q C -0.512 175.500 176.000 0.020 0.000 0.923 549 Q CA -0.058 55.751 55.803 0.009 0.000 0.925 549 Q CB 0.706 29.450 28.738 0.009 0.000 1.195 549 Q HN 0.590 nan 8.270 nan 0.000 0.417 550 N N 1.649 120.362 118.700 0.023 0.000 2.352 550 N HA 0.513 5.252 4.740 -0.001 0.000 0.291 550 N C -1.710 173.818 175.510 0.030 0.000 1.040 550 N CA -0.563 52.516 53.050 0.049 0.000 0.864 550 N CB 2.312 40.842 38.487 0.072 0.000 1.440 550 N HN 0.413 nan 8.380 nan 0.000 0.483 551 T N 2.084 116.660 114.554 0.038 0.000 2.815 551 T HA 0.539 4.889 4.350 -0.001 0.000 0.289 551 T C -0.220 174.484 174.700 0.007 0.000 1.000 551 T CA -0.369 61.740 62.100 0.014 0.000 0.958 551 T CB 0.380 69.257 68.868 0.015 0.000 0.944 551 T HN 0.258 nan 8.240 nan 0.000 0.442 552 I N 2.847 123.403 120.570 -0.023 0.000 2.404 552 I HA 0.545 4.714 4.170 -0.001 0.000 0.293 552 I C -0.553 175.570 176.117 0.010 0.000 0.992 552 I CA -1.176 60.098 61.300 -0.043 0.000 1.149 552 I CB 2.009 39.947 38.000 -0.104 0.000 1.315 552 I HN 0.244 nan 8.210 nan 0.000 0.446 553 V N 6.404 126.322 119.914 0.007 0.000 2.349 553 V HA 0.436 4.555 4.120 -0.001 0.000 0.284 553 V C -0.137 175.957 176.094 -0.000 0.000 1.014 553 V CA -0.677 61.635 62.300 0.019 0.000 0.826 553 V CB 1.370 33.199 31.823 0.008 0.000 1.009 553 V HN 0.578 nan 8.190 nan 0.000 0.431 554 R N 3.619 124.152 120.500 0.054 0.000 2.338 554 R HA 0.415 4.754 4.340 -0.001 0.000 0.317 554 R C -0.268 176.056 176.300 0.040 0.000 0.968 554 R CA -0.340 55.787 56.100 0.045 0.000 0.849 554 R CB 1.646 32.063 30.300 0.195 0.000 1.128 554 R HN 0.733 nan 8.270 nan 0.000 0.448 555 N N 0.281 118.916 118.700 -0.108 0.000 2.509 555 N HA -0.005 4.734 4.740 -0.001 0.000 0.287 555 N C 0.837 175.928 175.510 -0.700 0.000 1.121 555 N CA 0.044 52.924 53.050 -0.283 0.000 0.977 555 N CB 1.260 39.616 38.487 -0.219 0.000 1.167 555 N HN 0.516 nan 8.380 nan 0.000 0.476 556 S N 2.471 117.458 115.700 -1.188 0.000 2.419 556 S HA -0.205 4.264 4.470 -0.001 0.000 0.235 556 S C 1.422 175.367 174.600 -1.092 0.000 1.019 556 S CA 1.209 58.183 58.200 -2.044 0.000 0.982 556 S CB -0.341 61.731 63.200 -1.880 0.000 0.789 556 S HN 0.754 nan 8.310 nan 0.000 0.490 557 N N 1.401 119.759 118.700 -0.571 0.000 2.520 557 N HA -0.044 4.695 4.740 -0.001 0.000 0.185 557 N C 1.285 176.721 175.510 -0.123 0.000 1.068 557 N CA 0.826 53.728 53.050 -0.247 0.000 0.911 557 N CB -0.139 38.262 38.487 -0.144 0.000 0.961 557 N HN 0.405 nan 8.380 nan 0.000 0.446 558 E N -0.996 119.098 120.200 -0.177 0.000 2.472 558 E HA 0.144 4.493 4.350 -0.001 0.000 0.196 558 E C -0.581 176.132 176.600 0.188 0.000 1.033 558 E CA -0.165 56.227 56.400 -0.014 0.000 0.886 558 E CB 0.011 29.670 29.700 -0.069 0.000 0.944 558 E HN 0.176 nan 8.360 nan 0.000 0.492 559 F N 1.307 121.299 119.950 0.071 0.000 2.569 559 F HA -0.084 4.442 4.527 -0.001 0.000 0.395 559 F C 1.905 177.779 175.800 0.123 0.000 1.028 559 F CA -0.577 57.511 58.000 0.146 0.000 1.158 559 F CB -0.209 38.978 39.000 0.313 0.000 1.023 559 F HN -0.129 nan 8.300 nan 0.000 0.547 560 V N 2.869 122.914 119.914 0.219 0.000 2.594 560 V HA -0.246 3.873 4.120 -0.001 0.000 0.253 560 V C 1.963 177.950 176.094 -0.179 0.000 1.069 560 V CA 1.322 63.688 62.300 0.110 0.000 1.082 560 V CB -0.683 31.215 31.823 0.124 0.000 0.680 560 V HN 0.655 nan 8.190 nan 0.000 0.469 561 I N -0.463 119.762 120.570 -0.575 0.000 2.614 561 I HA 0.045 4.214 4.170 -0.001 0.000 0.258 561 I C 1.077 176.514 176.117 -1.133 0.000 1.189 561 I CA 1.009 61.540 61.300 -1.283 0.000 1.462 561 I CB -1.150 35.895 38.000 -1.591 0.000 1.092 561 I HN 0.312 nan 8.210 nan 0.000 0.442 562 F N 1.411 121.377 119.950 0.027 0.000 2.497 562 F HA 0.464 4.990 4.527 -0.001 0.000 0.331 562 F C 0.670 176.673 175.800 0.339 0.000 1.060 562 F CA -0.970 57.141 58.000 0.185 0.000 0.989 562 F CB 0.971 40.066 39.000 0.159 0.000 1.245 562 F HN -0.171 nan 8.300 nan 0.000 0.486 563 K N -0.289 120.405 120.400 0.489 0.000 2.352 563 K HA 0.528 4.848 4.320 -0.001 0.000 0.240 563 K C -0.947 175.823 176.600 0.283 0.000 1.017 563 K CA -0.979 55.521 56.287 0.354 0.000 0.851 563 K CB 1.664 34.328 32.500 0.273 0.000 1.261 563 K HN 0.376 nan 8.250 nan 0.000 0.451 564 E N 1.211 121.554 120.200 0.238 0.000 2.371 564 E HA 0.092 4.441 4.350 -0.001 0.000 0.257 564 E C -0.557 176.174 176.600 0.218 0.000 1.134 564 E CA -0.293 56.242 56.400 0.226 0.000 0.919 564 E CB 0.581 30.414 29.700 0.221 0.000 1.025 564 E HN 0.517 nan 8.360 nan 0.000 0.438 565 D N 0.523 121.056 120.400 0.223 0.000 2.399 565 D HA 0.055 4.694 4.640 -0.001 0.000 0.241 565 D C -0.014 176.459 176.300 0.287 0.000 1.133 565 D CA 0.234 54.382 54.000 0.247 0.000 0.890 565 D CB 0.663 41.632 40.800 0.282 0.000 1.201 565 D HN 0.093 nan 8.370 nan 0.000 0.432 566 S N 0.393 116.290 115.700 0.328 0.000 2.584 566 S HA 0.227 4.696 4.470 -0.001 0.000 0.270 566 S C 0.435 175.205 174.600 0.284 0.000 1.346 566 S CA -0.461 57.900 58.200 0.268 0.000 1.018 566 S CB 0.461 63.801 63.200 0.232 0.000 0.899 566 S HN 0.206 nan 8.310 nan 0.000 0.542 567 L N 2.394 123.723 121.223 0.175 0.000 2.352 567 L HA 0.480 4.819 4.340 -0.001 0.000 0.269 567 L C -2.232 174.704 176.870 0.111 0.000 1.034 567 L CA -2.394 52.531 54.840 0.140 0.000 0.806 567 L CB 1.017 43.129 42.059 0.088 0.000 1.244 567 L HN 0.380 nan 8.230 nan 0.000 0.447 568 P HA 0.147 nan 4.420 nan 0.000 0.272 568 P C 0.211 177.536 177.300 0.042 0.000 1.223 568 P CA -0.204 62.954 63.100 0.097 0.000 0.784 568 P CB 0.814 32.572 31.700 0.097 0.000 0.923 569 S N 0.602 116.320 115.700 0.029 0.000 2.402 569 S HA -0.178 4.292 4.470 -0.001 0.000 0.233 569 S C 1.813 176.402 174.600 -0.018 0.000 1.030 569 S CA 2.079 60.258 58.200 -0.035 0.000 1.003 569 S CB -1.102 62.107 63.200 0.015 0.000 0.813 569 S HN 0.762 nan 8.310 nan 0.000 0.477 570 T N 0.780 115.348 114.554 0.023 0.000 2.746 570 T HA -0.077 4.272 4.350 -0.001 0.000 0.267 570 T C 1.467 176.219 174.700 0.086 0.000 1.039 570 T CA 1.083 63.209 62.100 0.043 0.000 1.142 570 T CB -0.341 68.495 68.868 -0.054 0.000 0.866 570 T HN 0.229 nan 8.240 nan 0.000 0.444 571 E N 0.976 121.204 120.200 0.046 0.000 2.338 571 E HA 0.087 4.436 4.350 -0.001 0.000 0.197 571 E C 2.041 178.658 176.600 0.027 0.000 1.007 571 E CA 0.237 56.663 56.400 0.043 0.000 0.849 571 E CB -0.453 29.270 29.700 0.038 0.000 0.774 571 E HN 0.364 nan 8.360 nan 0.000 0.506 572 L N -0.153 121.054 121.223 -0.025 0.000 2.027 572 L HA -0.148 4.192 4.340 -0.001 0.000 0.206 572 L C 2.017 178.838 176.870 -0.081 0.000 1.074 572 L CA 1.437 56.222 54.840 -0.092 0.000 0.745 572 L CB -0.878 41.052 42.059 -0.215 0.000 0.898 572 L HN 0.091 nan 8.230 nan 0.000 0.433 573 Y N 0.259 120.565 120.300 0.010 0.000 2.128 573 Y HA -0.293 4.257 4.550 -0.001 0.000 0.284 573 Y C 2.460 178.370 175.900 0.015 0.000 1.154 573 Y CA 1.593 59.701 58.100 0.013 0.000 1.149 573 Y CB -0.557 37.903 38.460 -0.001 0.000 0.976 573 Y HN 0.179 nan 8.280 nan 0.000 0.505 574 K N -0.835 119.665 120.400 0.166 0.000 2.147 574 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 574 K C 1.913 178.556 176.600 0.071 0.000 1.049 574 K CA 1.229 57.575 56.287 0.099 0.000 0.936 574 K CB -0.413 32.129 32.500 0.071 0.000 0.722 574 K HN 0.159 nan 8.250 nan 0.000 0.446 575 L N 1.076 122.333 121.223 0.057 0.000 2.156 575 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 575 L C 1.814 178.711 176.870 0.045 0.000 1.095 575 L CA 1.282 56.146 54.840 0.039 0.000 0.770 575 L CB -0.187 41.888 42.059 0.027 0.000 0.914 575 L HN 0.131 nan 8.230 nan 0.000 0.439 576 L N -1.133 120.127 121.223 0.061 0.000 2.141 576 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 576 L C 2.296 179.210 176.870 0.074 0.000 1.094 576 L CA 0.724 55.611 54.840 0.077 0.000 0.763 576 L CB -0.342 41.774 42.059 0.095 0.000 0.908 576 L HN 0.205 nan 8.230 nan 0.000 0.437 577 E N 0.550 120.795 120.200 0.076 0.000 2.267 577 E HA -0.191 4.158 4.350 -0.001 0.000 0.197 577 E C 1.393 178.018 176.600 0.040 0.000 0.998 577 E CA 1.106 57.542 56.400 0.060 0.000 0.830 577 E CB 0.061 29.795 29.700 0.056 0.000 0.751 577 E HN 0.361 nan 8.360 nan 0.000 0.491 578 K N -1.361 119.060 120.400 0.035 0.000 2.397 578 K HA 0.263 4.583 4.320 -0.001 0.000 0.202 578 K C 0.553 177.162 176.600 0.015 0.000 1.022 578 K CA 0.415 56.715 56.287 0.021 0.000 1.141 578 K CB 0.924 33.434 32.500 0.017 0.000 0.857 578 K HN 0.120 nan 8.250 nan 0.000 0.514 579 G N 2.378 111.192 108.800 0.023 0.000 2.246 579 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.273 579 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.273 579 G C -0.509 174.381 174.900 -0.017 0.000 1.055 579 G CA 0.388 45.494 45.100 0.010 0.000 0.851 579 G HN 0.297 nan 8.290 nan 0.000 0.500 580 K N -1.299 119.098 120.400 -0.005 0.000 2.508 580 K HA 0.767 5.086 4.320 -0.001 0.000 0.260 580 K C -0.195 176.400 176.600 -0.008 0.000 0.949 580 K CA -0.612 55.661 56.287 -0.023 0.000 0.834 580 K CB 3.217 35.713 32.500 -0.007 0.000 1.365 580 K HN 0.742 nan 8.250 nan 0.000 0.437 581 V N -1.589 118.307 119.914 -0.030 0.000 3.007 581 V HA 0.598 4.717 4.120 -0.001 0.000 0.311 581 V C -2.930 173.168 176.094 0.006 0.000 1.120 581 V CA -2.940 59.357 62.300 -0.005 0.000 0.980 581 V CB 1.799 33.620 31.823 -0.003 0.000 1.033 581 V HN 0.495 nan 8.190 nan 0.000 0.429 582 P HA 0.171 nan 4.420 nan 0.000 0.264 582 P C 0.173 177.509 177.300 0.061 0.000 1.193 582 P CA 0.241 63.374 63.100 0.056 0.000 0.763 582 P CB 0.279 32.011 31.700 0.053 0.000 0.810 583 F N 3.815 123.745 119.950 -0.033 0.000 2.046 583 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 583 F C 1.784 177.553 175.800 -0.052 0.000 1.123 583 F CA 1.954 59.926 58.000 -0.046 0.000 1.199 583 F CB -0.235 38.744 39.000 -0.035 0.000 0.972 583 F HN 0.284 nan 8.300 nan 0.000 0.474 584 D N 0.020 120.510 120.400 0.150 0.000 2.117 584 D HA -0.226 4.413 4.640 -0.001 0.000 0.197 584 D C 2.417 178.651 176.300 -0.109 0.000 0.987 584 D CA 1.532 55.536 54.000 0.007 0.000 0.829 584 D CB -0.454 40.420 40.800 0.123 0.000 0.961 584 D HN 0.351 nan 8.370 nan 0.000 0.460 585 M N 0.149 119.730 119.600 -0.032 0.000 2.267 585 M HA -0.162 4.317 4.480 -0.001 0.000 0.263 585 M C 2.226 178.486 176.300 -0.067 0.000 1.063 585 M CA 0.915 56.198 55.300 -0.028 0.000 1.090 585 M CB 0.072 32.678 32.600 0.009 0.000 1.392 585 M HN -0.085 nan 8.290 nan 0.000 0.422 586 S N -0.086 115.528 115.700 -0.144 0.000 2.371 586 S HA -0.051 4.418 4.470 -0.001 0.000 0.221 586 S C 1.454 175.908 174.600 -0.244 0.000 1.036 586 S CA 0.885 58.975 58.200 -0.183 0.000 0.965 586 S CB 0.064 63.123 63.200 -0.236 0.000 0.845 586 S HN 0.529 nan 8.310 nan 0.000 0.475 587 E N -0.377 119.574 120.200 -0.415 0.000 2.473 587 E HA 0.138 4.487 4.350 -0.001 0.000 0.204 587 E C -0.408 175.877 176.600 -0.524 0.000 0.994 587 E CA 0.122 56.259 56.400 -0.439 0.000 0.945 587 E CB 0.384 29.744 29.700 -0.567 0.000 0.990 587 E HN 0.370 nan 8.360 nan 0.000 0.493 588 D N 0.576 120.614 120.400 -0.602 0.000 2.804 588 D HA 0.067 4.706 4.640 -0.001 0.000 0.308 588 D C 0.757 176.611 176.300 -0.743 0.000 1.371 588 D CA -0.265 53.127 54.000 -1.013 0.000 0.823 588 D CB -0.124 39.964 40.800 -1.187 0.000 1.126 588 D HN 0.136 nan 8.370 nan 0.000 0.467 589 F N -0.030 119.643 119.950 -0.463 0.000 2.269 589 F HA 0.078 4.605 4.527 -0.001 0.000 0.301 589 F C 1.904 177.378 175.800 -0.542 0.000 1.082 589 F CA 0.795 58.453 58.000 -0.571 0.000 1.360 589 F CB -0.815 37.712 39.000 -0.789 0.000 1.041 589 F HN 0.006 nan 8.300 nan 0.000 0.512 590 G N -0.926 107.387 108.800 -0.812 0.000 2.985 590 G HA2 0.035 3.994 3.960 -0.001 0.000 0.209 590 G HA3 0.035 3.994 3.960 -0.001 0.000 0.209 590 G C 0.345 175.510 174.900 0.443 0.000 1.165 590 G CA -0.401 44.636 45.100 -0.105 0.000 0.776 590 G HN 0.444 nan 8.290 nan 0.000 0.541 591 Y N -0.486 119.904 120.300 0.151 0.000 2.357 591 Y HA 0.212 4.761 4.550 -0.001 0.000 0.340 591 Y C 0.670 176.791 175.900 0.369 0.000 1.260 591 Y CA -1.255 57.020 58.100 0.291 0.000 1.425 591 Y CB 1.039 39.590 38.460 0.153 0.000 1.326 591 Y HN -0.132 nan 8.280 nan 0.000 0.580 592 L N 4.418 125.818 121.223 0.295 0.000 2.331 592 L HA 0.283 4.622 4.340 -0.001 0.000 0.278 592 L C -2.486 174.560 176.870 0.294 0.000 1.106 592 L CA -1.760 53.048 54.840 -0.054 0.000 0.824 592 L CB 0.826 42.699 42.059 -0.311 0.000 1.142 592 L HN 0.358 nan 8.230 nan 0.000 0.443 593 P HA -0.013 nan 4.420 nan 0.000 0.261 593 P C 0.151 177.592 177.300 0.236 0.000 1.183 593 P CA 0.205 63.448 63.100 0.238 0.000 0.761 593 P CB 0.264 32.055 31.700 0.153 0.000 0.785 594 K N 5.343 125.898 120.400 0.259 0.000 2.360 594 K HA -0.195 4.125 4.320 -0.001 0.000 0.201 594 K C 1.376 178.020 176.600 0.073 0.000 1.046 594 K CA 1.190 57.548 56.287 0.119 0.000 0.945 594 K CB -0.284 32.326 32.500 0.184 0.000 0.750 594 K HN 0.336 nan 8.250 nan 0.000 0.464 595 R N 0.908 121.458 120.500 0.083 0.000 2.280 595 R HA 0.029 4.369 4.340 -0.001 0.000 0.207 595 R C 1.333 177.663 176.300 0.050 0.000 1.043 595 R CA 0.837 56.981 56.100 0.073 0.000 1.006 595 R CB -0.262 30.027 30.300 -0.019 0.000 0.885 595 R HN 0.232 nan 8.270 nan 0.000 0.467 596 L N 1.279 122.509 121.223 0.012 0.000 2.769 596 L HA 0.308 4.648 4.340 -0.001 0.000 0.240 596 L C 1.900 178.723 176.870 -0.080 0.000 1.163 596 L CA -0.310 54.537 54.840 0.011 0.000 0.962 596 L CB 0.133 42.247 42.059 0.090 0.000 1.258 596 L HN 0.269 nan 8.230 nan 0.000 0.513 597 M N -1.065 118.373 119.600 -0.271 0.000 2.358 597 M HA -0.017 4.462 4.480 -0.001 0.000 0.264 597 M C -0.003 176.128 176.300 -0.281 0.000 1.064 597 M CA 1.593 56.648 55.300 -0.408 0.000 1.093 597 M CB 0.103 32.092 32.600 -1.018 0.000 1.401 597 M HN 0.031 nan 8.290 nan 0.000 0.440 598 L N 2.324 123.336 121.223 -0.351 0.000 2.322 598 L HA 0.611 4.950 4.340 -0.001 0.000 0.281 598 L C -2.262 174.447 176.870 -0.269 0.000 1.014 598 L CA -2.436 52.216 54.840 -0.314 0.000 0.815 598 L CB 1.544 43.406 42.059 -0.328 0.000 1.247 598 L HN 0.001 nan 8.230 nan 0.000 0.421 599 P HA 0.103 nan 4.420 nan 0.000 0.274 599 P C -0.499 176.684 177.300 -0.196 0.000 1.231 599 P CA -0.724 62.200 63.100 -0.295 0.000 0.790 599 P CB 0.744 32.245 31.700 -0.331 0.000 0.951 600 R N 1.328 121.726 120.500 -0.169 0.000 2.537 600 R HA 0.175 4.514 4.340 -0.001 0.000 0.281 600 R C 0.864 177.094 176.300 -0.117 0.000 0.988 600 R CA 0.442 56.418 56.100 -0.207 0.000 1.077 600 R CB -0.225 29.820 30.300 -0.426 0.000 0.932 600 R HN 0.676 nan 8.270 nan 0.000 0.409 601 G N 1.880 110.687 108.800 0.013 0.000 2.508 601 G HA2 0.288 4.247 3.960 -0.001 0.000 0.278 601 G HA3 0.288 4.247 3.960 -0.001 0.000 0.278 601 G C -0.577 174.411 174.900 0.147 0.000 1.389 601 G CA -0.090 45.067 45.100 0.095 0.000 1.050 601 G HN 0.729 nan 8.290 nan 0.000 0.522 602 T N -3.217 111.428 114.554 0.153 0.000 2.930 602 T HA 0.416 4.765 4.350 -0.001 0.000 0.290 602 T C 1.013 175.795 174.700 0.136 0.000 1.052 602 T CA -0.677 61.501 62.100 0.129 0.000 1.017 602 T CB 2.322 71.233 68.868 0.071 0.000 1.137 602 T HN 0.468 nan 8.240 nan 0.000 0.511 603 K N 0.399 120.846 120.400 0.077 0.000 2.097 603 K HA -0.026 4.293 4.320 -0.001 0.000 0.206 603 K C 2.058 178.752 176.600 0.157 0.000 1.049 603 K CA 1.622 57.982 56.287 0.122 0.000 0.933 603 K CB -0.862 31.657 32.500 0.032 0.000 0.717 603 K HN 0.804 nan 8.250 nan 0.000 0.442 604 G N -0.292 108.542 108.800 0.057 0.000 2.880 604 G HA2 0.228 4.187 3.960 -0.001 0.000 0.209 604 G HA3 0.228 4.187 3.960 -0.001 0.000 0.209 604 G C 0.149 174.976 174.900 -0.121 0.000 1.157 604 G CA 0.306 45.434 45.100 0.046 0.000 0.779 604 G HN 0.550 nan 8.290 nan 0.000 0.539 605 G N -0.834 107.774 108.800 -0.321 0.000 3.322 605 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.686 605 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.686 605 G C -0.794 173.882 174.900 -0.374 0.000 1.015 605 G CA -0.588 44.015 45.100 -0.830 0.000 0.826 605 G HN 0.539 nan 8.290 nan 0.000 0.538 606 F N 5.837 125.580 119.950 -0.344 0.000 2.420 606 F HA 0.723 5.249 4.527 -0.001 0.000 0.342 606 F C -1.575 174.046 175.800 -0.299 0.000 1.113 606 F CA -2.304 55.526 58.000 -0.284 0.000 1.059 606 F CB 2.047 40.902 39.000 -0.242 0.000 1.128 606 F HN 0.408 nan 8.300 nan 0.000 0.475 607 P HA 0.198 nan 4.420 nan 0.000 0.271 607 P C -1.291 175.689 177.300 -0.534 0.000 1.216 607 P CA 0.496 63.318 63.100 -0.464 0.000 0.771 607 P CB 0.953 32.424 31.700 -0.382 0.000 0.864 608 F N -0.076 119.803 119.950 -0.119 0.000 3.090 608 F HA 0.429 4.955 4.527 -0.001 0.000 0.324 608 F C -0.367 175.401 175.800 -0.053 0.000 1.189 608 F CA -0.317 57.595 58.000 -0.146 0.000 0.907 608 F CB 1.591 40.492 39.000 -0.165 0.000 1.445 608 F HN 0.352 nan 8.300 nan 0.000 0.500 609 Q N 0.564 120.525 119.800 0.269 0.000 2.353 609 Q HA 0.557 4.896 4.340 -0.001 0.000 0.275 609 Q C -2.284 173.971 176.000 0.426 0.000 1.029 609 Q CA -0.709 55.287 55.803 0.322 0.000 0.848 609 Q CB 2.602 31.497 28.738 0.260 0.000 1.390 609 Q HN 0.378 nan 8.270 nan 0.000 0.401 610 F N 1.008 121.066 119.950 0.181 0.000 2.399 610 F HA 0.715 5.241 4.527 -0.001 0.000 0.328 610 F C -0.086 175.834 175.800 0.201 0.000 1.084 610 F CA -0.959 57.161 58.000 0.200 0.000 1.053 610 F CB 2.108 41.226 39.000 0.196 0.000 1.209 610 F HN 0.448 nan 8.300 nan 0.000 0.502 611 V N 4.265 124.356 119.914 0.296 0.000 2.668 611 V HA 0.742 4.861 4.120 -0.001 0.000 0.304 611 V C -1.771 174.466 176.094 0.239 0.000 1.071 611 V CA -0.749 61.598 62.300 0.080 0.000 0.894 611 V CB 1.877 33.484 31.823 -0.361 0.000 1.008 611 V HN 0.675 nan 8.190 nan 0.000 0.425 612 V N 4.598 124.655 119.914 0.240 0.000 2.417 612 V HA 0.773 4.892 4.120 -0.001 0.000 0.291 612 V C -0.923 175.345 176.094 0.291 0.000 1.024 612 V CA -0.573 61.888 62.300 0.268 0.000 0.861 612 V CB 1.291 33.244 31.823 0.216 0.000 0.985 612 V HN 0.993 nan 8.190 nan 0.000 0.436 613 F N 5.171 125.203 119.950 0.137 0.000 2.493 613 F HA 0.792 5.319 4.527 -0.001 0.000 0.329 613 F C -0.710 175.175 175.800 0.142 0.000 1.126 613 F CA -0.840 57.226 58.000 0.111 0.000 0.937 613 F CB 2.058 41.078 39.000 0.033 0.000 1.146 613 F HN 0.697 nan 8.300 nan 0.000 0.442 614 V N 8.544 128.212 119.914 -0.409 0.000 2.540 614 V HA 0.668 4.787 4.120 -0.001 0.000 0.302 614 V C -1.849 174.057 176.094 -0.314 0.000 1.035 614 V CA -0.383 61.752 62.300 -0.276 0.000 0.873 614 V CB 1.457 33.240 31.823 -0.066 0.000 0.992 614 V HN 0.805 nan 8.190 nan 0.000 0.428 615 Y N 4.003 124.117 120.300 -0.311 0.000 2.638 615 Y HA 0.885 5.434 4.550 -0.001 0.000 0.339 615 Y C -3.024 172.525 175.900 -0.586 0.000 1.084 615 Y CA -3.541 54.270 58.100 -0.482 0.000 1.068 615 Y CB 1.212 39.513 38.460 -0.265 0.000 1.294 615 Y HN 0.384 nan 8.280 nan 0.000 0.480 616 P HA -0.005 nan 4.420 nan 0.000 0.263 616 P C -0.973 176.283 177.300 -0.073 0.000 1.195 616 P CA 0.467 63.200 63.100 -0.612 0.000 0.762 616 P CB 0.021 31.373 31.700 -0.580 0.000 0.799 617 F N 5.235 125.103 119.950 -0.136 0.000 2.445 617 F HA 0.178 4.704 4.527 -0.001 0.000 0.359 617 F C 0.895 176.696 175.800 0.003 0.000 1.101 617 F CA -0.018 57.957 58.000 -0.041 0.000 1.177 617 F CB 0.299 39.283 39.000 -0.027 0.000 1.110 617 F HN 0.471 nan 8.300 nan 0.000 0.522 618 E N 1.829 121.701 120.200 -0.547 0.000 4.452 618 E HA 0.215 4.564 4.350 -0.001 0.000 0.189 618 E C -0.599 175.686 176.600 -0.525 0.000 1.163 618 E CA -0.809 55.277 56.400 -0.523 0.000 0.841 618 E CB 0.131 29.699 29.700 -0.220 0.000 2.367 618 E HN 0.366 nan 8.360 nan 0.000 0.483 619 S N -0.054 115.498 115.700 -0.247 0.000 2.537 619 S HA 0.115 4.585 4.470 -0.001 0.000 0.286 619 S C -0.217 174.330 174.600 -0.090 0.000 1.299 619 S CA 0.295 58.402 58.200 -0.154 0.000 1.067 619 S CB 0.043 63.191 63.200 -0.087 0.000 0.864 619 S HN 0.428 nan 8.310 nan 0.000 0.494 620 T N 3.863 118.384 114.554 -0.056 0.000 3.393 620 T HA 0.112 4.461 4.350 -0.001 0.000 0.298 620 T C 1.413 176.126 174.700 0.021 0.000 1.004 620 T CA -0.200 61.916 62.100 0.027 0.000 0.956 620 T CB 0.241 69.160 68.868 0.084 0.000 1.182 620 T HN 0.665 nan 8.240 nan 0.000 0.497 621 T N 1.546 116.101 114.554 0.003 0.000 2.867 621 T HA 0.021 4.370 4.350 -0.001 0.000 0.268 621 T C 1.125 175.836 174.700 0.018 0.000 1.057 621 T CA 1.019 63.123 62.100 0.007 0.000 1.136 621 T CB -0.027 68.839 68.868 -0.003 0.000 0.874 621 T HN 0.291 nan 8.240 nan 0.000 0.466 622 K N 2.337 122.753 120.400 0.026 0.000 2.896 622 K HA 0.183 4.502 4.320 -0.001 0.000 0.210 622 K C -0.065 176.561 176.600 0.043 0.000 1.116 622 K CA -0.446 55.861 56.287 0.034 0.000 1.050 622 K CB 0.260 32.781 32.500 0.034 0.000 0.812 622 K HN 0.477 nan 8.250 nan 0.000 0.462 623 N N 0.609 119.334 118.700 0.042 0.000 2.371 623 N HA -0.002 4.737 4.740 -0.001 0.000 0.243 623 N C 0.233 175.761 175.510 0.030 0.000 1.287 623 N CA 0.075 53.148 53.050 0.038 0.000 0.911 623 N CB 0.878 39.381 38.487 0.027 0.000 1.142 623 N HN 0.082 nan 8.380 nan 0.000 0.451 624 L N 0.450 121.679 121.223 0.011 0.000 3.154 624 L HA 0.160 4.500 4.340 -0.001 0.000 0.266 624 L C 1.245 178.122 176.870 0.012 0.000 1.300 624 L CA -0.296 54.560 54.840 0.026 0.000 1.028 624 L CB -0.015 42.059 42.059 0.024 0.000 1.412 624 L HN 0.573 nan 8.230 nan 0.000 0.564 625 T N 0.531 115.085 114.554 -0.001 0.000 2.759 625 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 625 T C -0.510 174.226 174.700 0.060 0.000 1.042 625 T CA 1.456 63.551 62.100 -0.008 0.000 1.140 625 T CB -0.585 68.283 68.868 0.001 0.000 0.864 625 T HN 0.267 nan 8.240 nan 0.000 0.455 626 P HA -0.059 nan 4.420 nan 0.000 0.219 626 P C 0.779 178.315 177.300 0.394 0.000 1.146 626 P CA 0.895 64.132 63.100 0.228 0.000 0.808 626 P CB -0.004 31.839 31.700 0.238 0.000 0.779 627 Y N -0.365 119.992 120.300 0.095 0.000 2.226 627 Y HA 0.121 4.670 4.550 -0.001 0.000 0.281 627 Y C 0.526 176.336 175.900 -0.151 0.000 1.107 627 Y CA 0.491 58.508 58.100 -0.139 0.000 1.109 627 Y CB 0.525 38.759 38.460 -0.377 0.000 1.047 627 Y HN -0.281 nan 8.280 nan 0.000 0.494 628 E N 1.304 121.326 120.200 -0.297 0.000 2.191 628 E HA 0.157 4.506 4.350 -0.001 0.000 0.263 628 E C 0.274 176.668 176.600 -0.343 0.000 0.881 628 E CA -0.443 55.700 56.400 -0.428 0.000 0.757 628 E CB 1.915 31.171 29.700 -0.739 0.000 1.147 628 E HN 0.305 nan 8.360 nan 0.000 0.414 629 K N 1.697 122.031 120.400 -0.110 0.000 2.074 629 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 629 K C 1.758 178.307 176.600 -0.085 0.000 1.048 629 K CA 1.441 57.717 56.287 -0.019 0.000 0.926 629 K CB -0.423 32.155 32.500 0.130 0.000 0.713 629 K HN 0.535 nan 8.250 nan 0.000 0.444 630 F N -0.151 119.778 119.950 -0.036 0.000 2.699 630 F HA 0.127 4.654 4.527 -0.001 0.000 0.298 630 F C 1.083 176.494 175.800 -0.648 0.000 1.154 630 F CA -0.037 57.803 58.000 -0.268 0.000 1.457 630 F CB -0.776 38.111 39.000 -0.187 0.000 1.106 630 F HN -0.211 nan 8.300 nan 0.000 0.585 631 M N 2.603 121.803 119.600 -0.665 0.000 3.706 631 M HA 0.201 4.680 4.480 -0.001 0.000 0.204 631 M C 0.005 176.076 176.300 -0.382 0.000 1.455 631 M CA -0.274 54.706 55.300 -0.532 0.000 1.659 631 M CB -0.356 32.064 32.600 -0.300 0.000 1.076 631 M HN 0.263 nan 8.290 nan 0.000 0.577 632 I N -2.719 117.522 120.570 -0.550 0.000 3.826 632 I HA 0.382 4.551 4.170 -0.001 0.000 0.319 632 I C -0.187 175.943 176.117 0.022 0.000 1.394 632 I CA 0.030 61.201 61.300 -0.215 0.000 1.197 632 I CB -0.684 37.192 38.000 -0.207 0.000 1.096 632 I HN 0.136 nan 8.210 nan 0.000 0.409 633 D N -0.144 120.339 120.400 0.138 0.000 2.614 633 D HA 0.312 4.951 4.640 -0.001 0.000 0.264 633 D C 0.149 176.582 176.300 0.221 0.000 1.092 633 D CA -0.523 53.672 54.000 0.326 0.000 1.071 633 D CB 1.695 42.901 40.800 0.676 0.000 1.443 633 D HN -0.103 nan 8.370 nan 0.000 0.528 634 N N -0.485 118.309 118.700 0.156 0.000 2.356 634 N HA 0.022 4.761 4.740 -0.001 0.000 0.178 634 N C -0.278 175.244 175.510 0.021 0.000 1.075 634 N CA 0.270 53.360 53.050 0.066 0.000 0.889 634 N CB 0.301 38.795 38.487 0.011 0.000 0.999 634 N HN 0.102 nan 8.380 nan 0.000 0.464 635 K N 1.997 122.391 120.400 -0.010 0.000 2.414 635 K HA 0.090 4.409 4.320 -0.001 0.000 0.272 635 K C -2.321 174.248 176.600 -0.051 0.000 0.993 635 K CA -1.268 54.882 56.287 -0.229 0.000 0.964 635 K CB -0.233 31.952 32.500 -0.525 0.000 0.925 635 K HN 0.189 nan 8.250 nan 0.000 0.487 636 P HA 0.036 nan 4.420 nan 0.000 0.268 636 P C -0.013 177.371 177.300 0.141 0.000 1.205 636 P CA -0.084 63.073 63.100 0.096 0.000 0.771 636 P CB 0.456 32.245 31.700 0.147 0.000 0.858 637 L N 2.188 123.493 121.223 0.137 0.000 2.601 637 L HA 0.099 4.438 4.340 -0.001 0.000 0.277 637 L C 1.807 178.817 176.870 0.233 0.000 1.219 637 L CA 1.221 56.074 54.840 0.022 0.000 0.915 637 L CB -0.899 41.058 42.059 -0.169 0.000 1.160 637 L HN 0.884 nan 8.230 nan 0.000 0.494 638 G N 2.357 111.312 108.800 0.258 0.000 2.176 638 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.232 638 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.232 638 G C 0.041 175.195 174.900 0.423 0.000 0.986 638 G CA -0.299 45.128 45.100 0.545 0.000 0.643 638 G HN 0.600 nan 8.290 nan 0.000 0.522 639 Y N 3.157 123.509 120.300 0.086 0.000 2.811 639 Y HA 0.327 4.877 4.550 -0.001 0.000 0.334 639 Y C -0.871 174.908 175.900 -0.203 0.000 1.247 639 Y CA -0.093 57.939 58.100 -0.114 0.000 1.526 639 Y CB 0.998 39.313 38.460 -0.242 0.000 1.284 639 Y HN 0.086 nan 8.280 nan 0.000 0.586 640 P HA 0.043 nan 4.420 nan 0.000 0.261 640 P C -0.329 176.476 177.300 -0.825 0.000 1.352 640 P CA 0.506 62.723 63.100 -1.472 0.000 0.891 640 P CB -0.163 30.230 31.700 -2.178 0.000 1.383 641 F N 1.372 121.139 119.950 -0.305 0.000 2.730 641 F HA 0.112 4.638 4.527 -0.001 0.000 0.295 641 F C 1.705 177.672 175.800 0.279 0.000 1.143 641 F CA -0.380 57.583 58.000 -0.062 0.000 1.367 641 F CB -0.344 38.554 39.000 -0.170 0.000 0.970 641 F HN -0.027 nan 8.300 nan 0.000 0.514 642 D N 0.651 121.251 120.400 0.333 0.000 2.323 642 D HA -0.039 4.600 4.640 -0.001 0.000 0.209 642 D C 0.593 177.007 176.300 0.189 0.000 0.973 642 D CA 0.379 54.612 54.000 0.388 0.000 0.874 642 D CB 0.340 41.339 40.800 0.330 0.000 0.930 642 D HN 0.390 nan 8.370 nan 0.000 0.521 643 R N -1.138 119.210 120.500 -0.253 0.000 2.747 643 R HA 0.566 4.905 4.340 -0.001 0.000 0.272 643 R C -3.242 172.206 176.300 -1.420 0.000 1.032 643 R CA -1.603 53.936 56.100 -0.936 0.000 0.896 643 R CB 0.010 29.935 30.300 -0.624 0.000 1.253 643 R HN -0.271 nan 8.270 nan 0.000 0.461 644 P HA 0.118 nan 4.420 nan 0.000 0.273 644 P C -1.039 175.867 177.300 -0.657 0.000 1.250 644 P CA -0.643 61.703 63.100 -1.256 0.000 0.793 644 P CB 0.651 31.846 31.700 -0.843 0.000 1.011 645 V N 0.399 120.078 119.914 -0.391 0.000 2.823 645 V HA 0.274 4.393 4.120 -0.001 0.000 0.312 645 V C -0.727 175.272 176.094 -0.158 0.000 1.072 645 V CA -0.893 61.260 62.300 -0.244 0.000 0.937 645 V CB 1.786 33.502 31.823 -0.178 0.000 1.013 645 V HN 0.358 nan 8.190 nan 0.000 0.430 646 D N 3.613 123.947 120.400 -0.111 0.000 2.433 646 D HA -0.008 4.631 4.640 -0.001 0.000 0.274 646 D C 0.452 176.716 176.300 -0.060 0.000 1.344 646 D CA 0.786 54.740 54.000 -0.076 0.000 0.989 646 D CB 0.534 41.308 40.800 -0.043 0.000 1.116 646 D HN 0.772 nan 8.370 nan 0.000 0.533 647 T N 1.986 116.502 114.554 -0.064 0.000 2.891 647 T HA 0.007 4.356 4.350 -0.001 0.000 0.296 647 T C -0.074 174.594 174.700 -0.052 0.000 1.025 647 T CA 0.492 62.559 62.100 -0.056 0.000 1.149 647 T CB 0.160 68.995 68.868 -0.055 0.000 1.007 647 T HN 0.237 nan 8.240 nan 0.000 0.528 648 S N 3.388 119.052 115.700 -0.061 0.000 2.653 648 S HA 0.232 4.702 4.470 -0.001 0.000 0.268 648 S C 0.987 175.507 174.600 -0.134 0.000 1.153 648 S CA -0.474 57.687 58.200 -0.066 0.000 1.036 648 S CB -0.242 62.966 63.200 0.014 0.000 1.103 648 S HN 1.056 nan 8.310 nan 0.000 0.466 649 C N 2.914 122.032 119.300 -0.303 0.000 2.479 649 C HA 0.358 4.818 4.460 -0.001 0.000 0.292 649 C C 0.189 174.890 174.990 -0.480 0.000 1.497 649 C CA -0.313 58.444 59.018 -0.434 0.000 1.714 649 C CB -2.381 24.994 27.740 -0.608 0.000 1.610 649 C HN 0.590 nan 8.230 nan 0.000 0.589 650 F N 1.766 121.693 119.950 -0.039 0.000 2.382 650 F HA 0.449 4.975 4.527 -0.001 0.000 0.361 650 F C 0.432 176.217 175.800 -0.026 0.000 1.109 650 F CA -1.574 56.405 58.000 -0.035 0.000 1.031 650 F CB 0.513 39.494 39.000 -0.031 0.000 1.234 650 F HN 0.076 nan 8.300 nan 0.000 0.445 651 K N 1.982 122.481 120.400 0.165 0.000 2.440 651 K HA 0.059 4.378 4.320 -0.001 0.000 0.270 651 K C 0.060 176.734 176.600 0.124 0.000 0.980 651 K CA -0.271 56.089 56.287 0.123 0.000 0.953 651 K CB 0.635 33.197 32.500 0.104 0.000 0.925 651 K HN 0.531 nan 8.250 nan 0.000 0.497 652 Q N 3.155 123.042 119.800 0.144 0.000 2.299 652 Q HA 0.142 4.481 4.340 -0.001 0.000 0.246 652 Q C -1.785 174.314 176.000 0.165 0.000 0.935 652 Q CA -1.656 54.226 55.803 0.132 0.000 0.887 652 Q CB 1.251 30.110 28.738 0.202 0.000 1.223 652 Q HN 0.406 nan 8.270 nan 0.000 0.439 653 P HA -0.119 nan 4.420 nan 0.000 0.221 653 P C -0.046 177.371 177.300 0.194 0.000 1.150 653 P CA 1.029 64.227 63.100 0.164 0.000 0.800 653 P CB 0.207 31.993 31.700 0.142 0.000 0.787 654 N N 0.108 118.935 118.700 0.212 0.000 2.421 654 N HA 0.042 4.781 4.740 -0.001 0.000 0.201 654 N C 0.336 175.947 175.510 0.167 0.000 1.198 654 N CA 0.015 53.155 53.050 0.150 0.000 0.838 654 N CB -0.071 38.493 38.487 0.128 0.000 1.011 654 N HN 0.283 nan 8.380 nan 0.000 0.463 655 I N -0.382 120.355 120.570 0.279 0.000 2.686 655 I HA 0.493 4.662 4.170 -0.001 0.000 0.295 655 I C -1.879 174.462 176.117 0.374 0.000 1.114 655 I CA -1.147 60.359 61.300 0.343 0.000 1.038 655 I CB 2.274 40.519 38.000 0.408 0.000 1.238 655 I HN -0.141 nan 8.210 nan 0.000 0.420 656 F N 6.854 126.894 119.950 0.151 0.000 2.574 656 F HA 0.564 5.091 4.527 -0.001 0.000 0.313 656 F C -1.714 174.166 175.800 0.132 0.000 1.130 656 F CA -0.501 57.625 58.000 0.210 0.000 0.936 656 F CB 1.494 40.593 39.000 0.165 0.000 1.219 656 F HN 0.170 nan 8.300 nan 0.000 0.445 657 F N 4.521 124.389 119.950 -0.138 0.000 2.436 657 F HA 0.650 5.177 4.527 -0.001 0.000 0.340 657 F C -0.273 175.581 175.800 0.090 0.000 1.113 657 F CA -0.761 57.287 58.000 0.079 0.000 1.022 657 F CB 1.694 40.705 39.000 0.020 0.000 1.128 657 F HN 0.339 nan 8.300 nan 0.000 0.466 658 R N 2.054 122.829 120.500 0.458 0.000 2.513 658 R HA 0.381 4.720 4.340 -0.001 0.000 0.301 658 R C -1.497 174.970 176.300 0.279 0.000 0.968 658 R CA -0.645 55.697 56.100 0.403 0.000 0.872 658 R CB 0.685 31.252 30.300 0.445 0.000 1.177 658 R HN 0.466 nan 8.270 nan 0.000 0.444 659 D N 1.859 122.369 120.400 0.182 0.000 2.443 659 D HA 0.252 4.891 4.640 -0.001 0.000 0.239 659 D C -0.686 175.671 176.300 0.095 0.000 1.136 659 D CA 0.394 54.459 54.000 0.109 0.000 0.879 659 D CB 1.178 42.007 40.800 0.049 0.000 1.195 659 D HN 0.215 nan 8.370 nan 0.000 0.443 660 V N 1.079 121.044 119.914 0.085 0.000 3.087 660 V HA 0.454 4.573 4.120 -0.001 0.000 0.306 660 V C -0.842 175.277 176.094 0.042 0.000 1.187 660 V CA -0.505 61.819 62.300 0.041 0.000 0.999 660 V CB 2.541 34.377 31.823 0.021 0.000 1.049 660 V HN 0.523 nan 8.190 nan 0.000 0.431 661 S N 2.213 117.915 115.700 0.003 0.000 2.532 661 S HA 0.646 5.115 4.470 -0.001 0.000 0.299 661 S C -0.898 173.650 174.600 -0.087 0.000 1.105 661 S CA -0.453 57.690 58.200 -0.095 0.000 1.018 661 S CB 1.814 64.867 63.200 -0.246 0.000 1.021 661 S HN 0.510 nan 8.310 nan 0.000 0.483 662 V N 4.848 124.736 119.914 -0.043 0.000 2.333 662 V HA 0.389 4.508 4.120 -0.001 0.000 0.274 662 V C -0.996 175.069 176.094 -0.048 0.000 1.028 662 V CA -0.498 61.820 62.300 0.029 0.000 0.851 662 V CB -0.309 31.591 31.823 0.129 0.000 1.000 662 V HN 0.772 nan 8.190 nan 0.000 0.456 663 Y N 2.752 123.099 120.300 0.078 0.000 2.458 663 Y HA 0.541 5.090 4.550 -0.001 0.000 0.322 663 Y C 0.514 176.496 175.900 0.137 0.000 1.259 663 Y CA -0.644 57.513 58.100 0.095 0.000 1.302 663 Y CB 0.950 39.440 38.460 0.050 0.000 1.314 663 Y HN 0.565 nan 8.280 nan 0.000 0.509 664 H N 1.328 120.534 119.070 0.226 0.000 2.689 664 H HA 0.357 4.913 4.556 -0.001 0.000 0.346 664 H C -1.354 174.072 175.328 0.162 0.000 1.037 664 H CA -0.597 55.543 56.048 0.154 0.000 1.234 664 H CB 1.247 31.086 29.762 0.127 0.000 1.572 664 H HN 0.843 nan 8.280 nan 0.000 0.524 665 E N 2.273 122.268 120.200 -0.342 0.000 2.227 665 E HA 0.474 4.823 4.350 -0.001 0.000 0.268 665 E C 0.396 176.878 176.600 -0.197 0.000 0.990 665 E CA -0.305 55.992 56.400 -0.172 0.000 0.856 665 E CB 2.026 31.664 29.700 -0.103 0.000 1.159 665 E HN 0.922 nan 8.360 nan 0.000 0.401 666 G N 1.734 110.532 108.800 -0.004 0.000 2.593 666 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.237 666 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.237 666 G C -0.367 174.634 174.900 0.168 0.000 1.312 666 G CA -0.271 44.900 45.100 0.117 0.000 0.896 666 G HN 0.546 nan 8.290 nan 0.000 0.574 667 E N -0.606 119.688 120.200 0.155 0.000 2.384 667 E HA 0.420 4.769 4.350 -0.001 0.000 0.266 667 E C 0.903 177.656 176.600 0.256 0.000 1.012 667 E CA 0.260 56.644 56.400 -0.027 0.000 0.901 667 E CB 0.508 29.842 29.700 -0.609 0.000 0.967 667 E HN 0.535 nan 8.360 nan 0.000 0.435 668 Y N 4.040 124.315 120.300 -0.041 0.000 2.243 668 Y HA -0.055 4.495 4.550 -0.001 0.000 0.293 668 Y C 0.455 176.148 175.900 -0.344 0.000 1.124 668 Y CA 1.076 59.058 58.100 -0.198 0.000 1.159 668 Y CB 0.374 38.585 38.460 -0.415 0.000 1.008 668 Y HN 0.516 nan 8.280 nan 0.000 0.527 669 H N 0.210 119.107 119.070 -0.290 0.000 2.620 669 H HA 0.317 4.872 4.556 -0.001 0.000 0.313 669 H C 1.107 175.902 175.328 -0.888 0.000 1.075 669 H CA 0.112 55.740 56.048 -0.701 0.000 1.397 669 H CB 1.649 30.759 29.762 -1.086 0.000 1.446 669 H HN 0.440 nan 8.280 nan 0.000 0.493 670 A N 4.347 126.621 122.820 -0.910 0.000 1.940 670 A HA -0.246 4.074 4.320 -0.001 0.000 0.219 670 A C 1.874 179.247 177.584 -0.353 0.000 1.176 670 A CA 1.652 53.121 52.037 -0.947 0.000 0.631 670 A CB -1.058 17.427 19.000 -0.858 0.000 0.814 670 A HN 0.864 nan 8.150 nan 0.000 0.446 671 Y N -1.300 118.954 120.300 -0.077 0.000 2.403 671 Y HA -0.077 4.472 4.550 -0.001 0.000 0.291 671 Y C 1.828 177.707 175.900 -0.035 0.000 1.143 671 Y CA 0.834 58.931 58.100 -0.005 0.000 1.257 671 Y CB -0.409 38.067 38.460 0.027 0.000 0.984 671 Y HN 0.187 nan 8.280 nan 0.000 0.550 672 E N 0.660 120.739 120.200 -0.202 0.000 2.160 672 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 672 E C 1.483 177.896 176.600 -0.312 0.000 0.991 672 E CA 1.214 57.475 56.400 -0.231 0.000 0.810 672 E CB -0.482 28.923 29.700 -0.491 0.000 0.742 672 E HN 0.687 nan 8.360 nan 0.000 0.466 673 Y N 0.648 120.858 120.300 -0.150 0.000 2.571 673 Y HA -0.006 4.543 4.550 -0.001 0.000 0.294 673 Y C 1.490 177.617 175.900 0.377 0.000 1.141 673 Y CA 0.529 58.574 58.100 -0.092 0.000 1.308 673 Y CB -0.011 38.328 38.460 -0.203 0.000 1.002 673 Y HN 0.014 nan 8.280 nan 0.000 0.551 674 N N -0.539 118.417 118.700 0.427 0.000 2.270 674 N HA 0.071 4.810 4.740 -0.001 0.000 0.198 674 N C -0.410 175.369 175.510 0.450 0.000 1.117 674 N CA 0.147 53.464 53.050 0.446 0.000 0.845 674 N CB 0.502 39.197 38.487 0.348 0.000 0.980 674 N HN -0.057 nan 8.380 nan 0.000 0.486 675 V N 2.655 122.780 119.914 0.350 0.000 2.470 675 V HA 0.082 4.201 4.120 -0.001 0.000 0.276 675 V C -1.187 174.888 176.094 -0.032 0.000 1.040 675 V CA -1.055 61.354 62.300 0.182 0.000 1.008 675 V CB 1.431 33.320 31.823 0.110 0.000 0.990 675 V HN -0.018 nan 8.190 nan 0.000 0.477 676 P HA -0.248 nan 4.420 nan 0.000 0.216 676 P C 1.558 178.348 177.300 -0.850 0.000 1.157 676 P CA 2.053 64.504 63.100 -1.083 0.000 0.880 676 P CB 0.185 31.590 31.700 -0.493 0.000 0.791 677 A N -2.210 120.384 122.820 -0.377 0.000 2.024 677 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 677 A C 2.221 179.683 177.584 -0.204 0.000 1.164 677 A CA 1.500 53.392 52.037 -0.241 0.000 0.643 677 A CB -1.676 17.253 19.000 -0.117 0.000 0.806 677 A HN 0.224 nan 8.150 nan 0.000 0.451 678 Y N 0.186 120.333 120.300 -0.255 0.000 2.201 678 Y HA -0.035 4.514 4.550 -0.001 0.000 0.292 678 Y C 1.774 177.591 175.900 -0.138 0.000 1.119 678 Y CA 1.648 59.664 58.100 -0.140 0.000 1.127 678 Y CB -0.526 37.941 38.460 0.011 0.000 1.019 678 Y HN 0.372 nan 8.280 nan 0.000 0.514 679 F N -1.344 118.574 119.950 -0.054 0.000 2.771 679 F HA 0.230 4.756 4.527 -0.001 0.000 0.299 679 F C 1.392 177.176 175.800 -0.027 0.000 1.177 679 F CA 0.661 58.603 58.000 -0.097 0.000 1.450 679 F CB -0.628 38.234 39.000 -0.231 0.000 1.114 679 F HN -0.103 nan 8.300 nan 0.000 0.587 680 S N -1.465 114.083 115.700 -0.254 0.000 2.540 680 S HA 0.139 4.608 4.470 -0.001 0.000 0.218 680 S C -0.398 174.225 174.600 0.037 0.000 0.977 680 S CA -0.091 58.050 58.200 -0.098 0.000 0.918 680 S CB -0.471 62.571 63.200 -0.262 0.000 0.806 680 S HN 0.585 nan 8.310 nan 0.000 0.496 681 H N 0.000 118.954 119.070 -0.194 0.000 2.539 681 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 681 H CA 0.000 55.947 56.048 -0.168 0.000 1.023 681 H CB 0.000 29.694 29.762 -0.113 0.000 1.292 681 H HN 0.000 nan 8.280 nan 0.000 0.496