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 1m7s_1_D DATA FIRST_RESID 27 DATA SEQUENCE TDTLTRDNGA VVGDNQNSQT AGAQGPVLLQ DVQLLQKLQR FDRERIPERV DATA SEQUENCE VHARGTGVKG EFTASADISD LSKATVFKSG EKTPVFVRFS SVVHGNHSPE DATA SEQUENCE TLRDPHGFAT KFYTADGNWD LVGNNFPTFF IRDAIKFPDM VHAFKPDPRT DATA SEQUENCE NLDNDSRRFD FFSHVPEATR TLTLLYSNEG TPAGYRFMDG NGVHAYKLVN DATA SEQUENCE AKGEVHYVKF HWKSLQGIKN LDPKEVAQVQ SKDYSHLTND LVGAIKKGDF DATA SEQUENCE PKWDLYVQVL KPEELAKFDF DPLDATKIWP DVPEKKIGQM VLNKNVDNFF DATA SEQUENCE QETEQVAMAP ANLVPGIEPS EDRLLQGRVF SYADTQMYRL GANGLSLPVN DATA SEQUENCE QPKVAVNNGN QDGALNTGHT TSGVNYEPSR LEPRPADDKA RYSELPLSGT DATA SEQUENCE TQQAKITREQ NFKQAGDLYR SYSAKEKTDL VQKFGESLAD TLTESKNIML DATA SEQUENCE SYLYKEDPNY GTRVAEVAKG DLSKVKSLAA SLKD 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.700 174.700 0.000 0.000 1.109 27 T CA 0.000 62.100 62.100 0.001 0.000 1.349 27 T CB 0.000 68.869 68.868 0.001 0.000 0.612 28 D N 2.509 122.909 120.400 0.001 0.000 2.488 28 D HA 0.194 4.835 4.640 0.001 0.000 0.238 28 D C 0.447 176.747 176.300 0.000 0.000 1.138 28 D CA 0.588 54.588 54.000 0.001 0.000 0.873 28 D CB 0.458 41.259 40.800 0.001 0.000 1.183 28 D HN 0.383 nan 8.370 nan 0.000 0.458 29 T N 1.953 116.506 114.554 -0.000 0.000 2.940 29 T HA 0.081 4.432 4.350 0.001 0.000 0.309 29 T C 0.619 175.319 174.700 -0.001 0.000 1.056 29 T CA -0.550 61.549 62.100 -0.001 0.000 1.137 29 T CB 0.420 69.287 68.868 -0.001 0.000 0.976 29 T HN 0.196 nan 8.240 nan 0.000 0.547 30 L N 4.108 125.330 121.223 -0.001 0.000 2.456 30 L HA 0.404 4.745 4.340 0.001 0.000 0.272 30 L C 0.684 177.554 176.870 -0.001 0.000 1.189 30 L CA 0.484 55.323 54.840 -0.001 0.000 0.846 30 L CB 0.367 42.424 42.059 -0.003 0.000 1.111 30 L HN 0.893 nan 8.230 nan 0.000 0.475 31 T N 2.433 116.987 114.554 -0.000 0.000 2.888 31 T HA 0.638 4.989 4.350 0.001 0.000 0.288 31 T C 0.165 174.865 174.700 0.000 0.000 1.063 31 T CA -1.031 61.069 62.100 -0.000 0.000 1.010 31 T CB 1.161 70.028 68.868 -0.000 0.000 1.214 31 T HN 0.686 nan 8.240 nan 0.000 0.533 32 R N 0.048 120.548 120.500 0.000 0.000 2.531 32 R HA 0.343 4.684 4.340 0.001 0.000 0.260 32 R C 0.421 176.722 176.300 0.002 0.000 1.144 32 R CA -0.821 55.279 56.100 0.001 0.000 1.171 32 R CB 0.231 30.532 30.300 0.001 0.000 1.199 32 R HN 0.671 nan 8.270 nan 0.000 0.594 33 D N 0.811 121.213 120.400 0.003 0.000 2.348 33 D HA -0.111 4.529 4.640 0.001 0.000 0.216 33 D C 1.066 177.366 176.300 0.001 0.000 0.970 33 D CA 0.930 54.932 54.000 0.002 0.000 0.889 33 D CB -0.072 40.730 40.800 0.003 0.000 0.912 33 D HN 0.464 nan 8.370 nan 0.000 0.524 34 N N -0.260 118.441 118.700 0.001 0.000 2.336 34 N HA 0.018 4.759 4.740 0.001 0.000 0.189 34 N C 1.386 176.896 175.510 -0.001 0.000 1.113 34 N CA 0.919 53.969 53.050 -0.000 0.000 0.858 34 N CB 0.500 38.987 38.487 -0.000 0.000 0.970 34 N HN 0.153 nan 8.380 nan 0.000 0.471 35 G N -0.805 107.995 108.800 -0.001 0.000 2.213 35 G HA2 -0.197 3.764 3.960 0.001 0.000 0.236 35 G HA3 -0.197 3.764 3.960 0.001 0.000 0.236 35 G C 0.217 175.117 174.900 -0.001 0.000 0.991 35 G CA 0.083 45.182 45.100 -0.001 0.000 0.629 35 G HN 0.788 nan 8.290 nan 0.000 0.517 36 A N 0.931 123.750 122.820 -0.001 0.000 2.450 36 A HA 0.651 4.972 4.320 0.001 0.000 0.255 36 A C 1.178 178.761 177.584 -0.001 0.000 1.096 36 A CA 0.402 52.439 52.037 -0.001 0.000 0.778 36 A CB 0.310 19.309 19.000 -0.001 0.000 1.031 36 A HN 1.919 nan 8.150 nan 0.000 0.494 37 V N 1.865 121.778 119.914 -0.002 0.000 2.872 37 V HA 0.390 4.510 4.120 0.001 0.000 0.307 37 V C 0.468 176.560 176.094 -0.002 0.000 1.072 37 V CA -0.546 61.753 62.300 -0.002 0.000 1.148 37 V CB 0.392 32.214 31.823 -0.002 0.000 0.954 37 V HN 0.566 nan 8.190 nan 0.000 0.490 38 V N 4.021 123.933 119.914 -0.003 0.000 2.539 38 V HA 0.590 4.711 4.120 0.001 0.000 0.292 38 V C 1.332 177.423 176.094 -0.004 0.000 1.045 38 V CA 0.637 62.935 62.300 -0.004 0.000 0.945 38 V CB 1.118 32.939 31.823 -0.005 0.000 0.993 38 V HN 1.153 nan 8.190 nan 0.000 0.464 39 G N 1.892 110.689 108.800 -0.005 0.000 2.656 39 G HA2 0.072 4.033 3.960 0.001 0.000 0.211 39 G HA3 0.072 4.033 3.960 0.001 0.000 0.211 39 G C 0.096 174.992 174.900 -0.006 0.000 1.137 39 G CA 0.315 45.413 45.100 -0.005 0.000 0.802 39 G HN 0.629 nan 8.290 nan 0.000 0.527 40 D N -0.805 119.591 120.400 -0.007 0.000 2.616 40 D HA 0.154 4.794 4.640 0.001 0.000 0.238 40 D C -0.639 175.654 176.300 -0.011 0.000 1.354 40 D CA -0.624 53.371 54.000 -0.009 0.000 0.970 40 D CB 1.274 42.069 40.800 -0.009 0.000 1.369 40 D HN -0.092 nan 8.370 nan 0.000 0.585 41 N N 1.863 120.555 118.700 -0.012 0.000 2.230 41 N HA 0.028 4.769 4.740 0.001 0.000 0.202 41 N C 0.591 176.089 175.510 -0.020 0.000 1.119 41 N CA 0.330 53.371 53.050 -0.016 0.000 0.851 41 N CB 0.471 38.949 38.487 -0.014 0.000 0.990 41 N HN 0.278 nan 8.380 nan 0.000 0.497 42 Q N -0.897 118.892 119.800 -0.018 0.000 2.378 42 Q HA 0.287 4.628 4.340 0.001 0.000 0.229 42 Q C -0.488 175.499 176.000 -0.020 0.000 0.882 42 Q CA 0.421 56.212 55.803 -0.020 0.000 0.936 42 Q CB 0.498 29.226 28.738 -0.016 0.000 1.092 42 Q HN 0.231 nan 8.270 nan 0.000 0.535 43 N N 0.365 119.054 118.700 -0.018 0.000 2.258 43 N HA 0.306 5.047 4.740 0.001 0.000 0.299 43 N C -0.916 174.585 175.510 -0.016 0.000 1.047 43 N CA -0.176 52.864 53.050 -0.016 0.000 0.814 43 N CB 2.094 40.574 38.487 -0.013 0.000 1.413 43 N HN -0.165 nan 8.380 nan 0.000 0.478 44 S N 0.602 116.292 115.700 -0.016 0.000 2.592 44 S HA 0.091 4.562 4.470 0.001 0.000 0.271 44 S C 0.347 174.941 174.600 -0.011 0.000 1.326 44 S CA -0.498 57.693 58.200 -0.015 0.000 1.024 44 S CB 0.991 64.182 63.200 -0.015 0.000 0.921 44 S HN 0.451 nan 8.310 nan 0.000 0.527 45 Q N 1.752 121.547 119.800 -0.009 0.000 2.297 45 Q HA 0.245 4.586 4.340 0.001 0.000 0.267 45 Q C -0.218 175.779 176.000 -0.006 0.000 1.006 45 Q CA -0.137 55.662 55.803 -0.007 0.000 0.896 45 Q CB 0.333 29.068 28.738 -0.005 0.000 1.186 45 Q HN 0.777 nan 8.270 nan 0.000 0.392 46 T N -0.162 114.389 114.554 -0.006 0.000 2.930 46 T HA 0.700 5.051 4.350 0.001 0.000 0.290 46 T C -0.369 174.329 174.700 -0.004 0.000 1.052 46 T CA -0.792 61.305 62.100 -0.005 0.000 1.017 46 T CB 1.720 70.585 68.868 -0.006 0.000 1.137 46 T HN 0.540 nan 8.240 nan 0.000 0.511 47 A N 1.323 124.141 122.820 -0.003 0.000 3.004 47 A HA 0.712 5.032 4.320 0.001 0.000 0.286 47 A C 1.184 178.767 177.584 -0.003 0.000 1.632 47 A CA 0.152 52.188 52.037 -0.003 0.000 1.339 47 A CB -1.597 17.402 19.000 -0.002 0.000 1.136 47 A HN 2.121 nan 8.150 nan 0.000 0.577 48 G N -0.193 108.605 108.800 -0.003 0.000 2.756 48 G HA2 0.242 4.203 3.960 0.001 0.000 0.678 48 G HA3 0.242 4.203 3.960 0.001 0.000 0.678 48 G C 0.874 175.772 174.900 -0.004 0.000 1.349 48 G CA -0.282 44.816 45.100 -0.003 0.000 0.847 48 G HN 1.651 nan 8.290 nan 0.000 0.548 49 A N -0.757 122.061 122.820 -0.004 0.000 1.933 49 A HA 0.059 4.379 4.320 0.001 0.000 0.218 49 A C 2.004 179.586 177.584 -0.004 0.000 1.175 49 A CA 2.367 54.401 52.037 -0.004 0.000 0.628 49 A CB -0.260 18.738 19.000 -0.004 0.000 0.814 49 A HN 0.814 nan 8.150 nan 0.000 0.444 50 Q N -0.613 119.185 119.800 -0.004 0.000 2.188 50 Q HA 0.287 4.628 4.340 0.001 0.000 0.212 50 Q C 0.608 176.606 176.000 -0.003 0.000 0.846 50 Q CA -0.016 55.784 55.803 -0.004 0.000 0.989 50 Q CB 0.769 29.505 28.738 -0.003 0.000 1.114 50 Q HN 0.550 nan 8.270 nan 0.000 0.488 51 G N 1.813 110.611 108.800 -0.003 0.000 2.552 51 G HA2 0.494 4.455 3.960 0.001 0.000 0.318 51 G HA3 0.494 4.455 3.960 0.001 0.000 0.318 51 G C -2.510 172.388 174.900 -0.003 0.000 1.240 51 G CA -1.147 43.952 45.100 -0.003 0.000 1.002 51 G HN -0.084 nan 8.290 nan 0.000 0.493 52 P HA 0.252 nan 4.420 nan 0.000 0.274 52 P C -0.234 177.064 177.300 -0.003 0.000 1.246 52 P CA -0.366 62.733 63.100 -0.003 0.000 0.795 52 P CB 1.037 32.736 31.700 -0.002 0.000 1.006 53 V N 1.750 121.662 119.914 -0.004 0.000 2.649 53 V HA 0.105 4.226 4.120 0.001 0.000 0.292 53 V C 0.832 176.924 176.094 -0.003 0.000 1.055 53 V CA -0.394 61.903 62.300 -0.004 0.000 1.023 53 V CB 0.357 32.177 31.823 -0.005 0.000 0.992 53 V HN 0.299 nan 8.190 nan 0.000 0.480 54 L N 4.369 125.590 121.223 -0.003 0.000 2.371 54 L HA 0.225 4.565 4.340 0.001 0.000 0.272 54 L C 1.225 178.095 176.870 -0.001 0.000 1.124 54 L CA -0.503 54.336 54.840 -0.002 0.000 0.816 54 L CB 0.658 42.716 42.059 -0.002 0.000 1.129 54 L HN 0.564 nan 8.230 nan 0.000 0.448 55 L N 2.805 124.028 121.223 0.000 0.000 2.191 55 L HA -0.206 4.135 4.340 0.001 0.000 0.212 55 L C 2.378 179.248 176.870 0.001 0.000 1.103 55 L CA 1.645 56.486 54.840 0.002 0.000 0.769 55 L CB -0.560 41.500 42.059 0.002 0.000 0.908 55 L HN 0.827 nan 8.230 nan 0.000 0.438 56 Q N -1.357 118.443 119.800 0.001 0.000 2.482 56 Q HA -0.088 4.253 4.340 0.001 0.000 0.209 56 Q C 0.141 176.141 176.000 -0.000 0.000 0.961 56 Q CA 0.326 56.129 55.803 0.001 0.000 0.945 56 Q CB -0.546 28.192 28.738 0.000 0.000 1.012 56 Q HN 0.373 nan 8.270 nan 0.000 0.515 57 D N 1.878 122.277 120.400 -0.001 0.000 2.383 57 D HA -0.004 4.637 4.640 0.001 0.000 0.245 57 D C 1.224 177.523 176.300 -0.001 0.000 1.263 57 D CA -0.137 53.861 54.000 -0.002 0.000 0.936 57 D CB 1.422 42.219 40.800 -0.004 0.000 1.053 57 D HN 0.187 nan 8.370 nan 0.000 0.507 58 V N 2.227 122.140 119.914 -0.000 0.000 2.667 58 V HA -0.183 3.938 4.120 0.001 0.000 0.252 58 V C 2.062 178.157 176.094 0.001 0.000 1.065 58 V CA 1.320 63.621 62.300 0.001 0.000 1.083 58 V CB -0.572 31.252 31.823 0.001 0.000 0.692 58 V HN 0.369 nan 8.190 nan 0.000 0.468 59 Q N 0.792 120.591 119.800 -0.002 0.000 2.083 59 Q HA -0.100 4.241 4.340 0.001 0.000 0.198 59 Q C 1.967 177.965 176.000 -0.004 0.000 0.969 59 Q CA 2.199 58.000 55.803 -0.003 0.000 0.838 59 Q CB -0.598 28.137 28.738 -0.006 0.000 0.900 59 Q HN 0.621 nan 8.270 nan 0.000 0.436 60 L N -0.254 120.965 121.223 -0.007 0.000 1.989 60 L HA -0.155 4.186 4.340 0.001 0.000 0.211 60 L C 1.984 178.854 176.870 -0.001 0.000 1.071 60 L CA 1.741 56.575 54.840 -0.010 0.000 0.749 60 L CB -0.805 41.247 42.059 -0.011 0.000 0.890 60 L HN 0.335 nan 8.230 nan 0.000 0.431 61 L N -0.413 120.812 121.223 0.003 0.000 2.012 61 L HA -0.275 4.066 4.340 0.001 0.000 0.210 61 L C 2.649 179.529 176.870 0.017 0.000 1.073 61 L CA 2.287 57.133 54.840 0.011 0.000 0.748 61 L CB -1.395 40.670 42.059 0.009 0.000 0.891 61 L HN 0.598 nan 8.230 nan 0.000 0.431 62 Q N -0.011 119.796 119.800 0.013 0.000 2.079 62 Q HA -0.201 4.140 4.340 0.001 0.000 0.200 62 Q C 2.227 178.243 176.000 0.026 0.000 0.974 62 Q CA 1.414 57.227 55.803 0.017 0.000 0.840 62 Q CB 0.167 28.911 28.738 0.011 0.000 0.898 62 Q HN 0.376 nan 8.270 nan 0.000 0.430 63 K N -0.005 120.407 120.400 0.020 0.000 2.097 63 K HA -0.123 4.198 4.320 0.001 0.000 0.206 63 K C 2.064 178.701 176.600 0.062 0.000 1.049 63 K CA 1.151 57.454 56.287 0.027 0.000 0.933 63 K CB -0.013 32.483 32.500 -0.006 0.000 0.717 63 K HN 0.262 nan 8.250 nan 0.000 0.442 64 L N 0.660 121.913 121.223 0.050 0.000 2.072 64 L HA -0.161 4.180 4.340 0.001 0.000 0.205 64 L C 2.480 179.427 176.870 0.130 0.000 1.079 64 L CA 1.096 55.996 54.840 0.099 0.000 0.752 64 L CB -0.348 41.743 42.059 0.053 0.000 0.906 64 L HN 0.226 nan 8.230 nan 0.000 0.436 65 Q N -0.339 119.506 119.800 0.074 0.000 2.124 65 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 65 Q C 2.385 178.414 176.000 0.048 0.000 0.977 65 Q CA 0.993 56.828 55.803 0.054 0.000 0.850 65 Q CB -0.023 28.733 28.738 0.031 0.000 0.901 65 Q HN 0.402 nan 8.270 nan 0.000 0.429 66 R N 0.183 120.716 120.500 0.055 0.000 2.073 66 R HA -0.130 4.211 4.340 0.001 0.000 0.234 66 R C 2.098 178.423 176.300 0.043 0.000 1.134 66 R CA 1.033 57.155 56.100 0.036 0.000 0.952 66 R CB -0.913 29.407 30.300 0.033 0.000 0.850 66 R HN 0.268 nan 8.270 nan 0.000 0.433 67 F N 2.855 122.784 119.950 -0.036 0.000 2.091 67 F HA -0.213 4.315 4.527 0.001 0.000 0.299 67 F C 1.477 177.256 175.800 -0.034 0.000 1.103 67 F CA 1.716 59.694 58.000 -0.037 0.000 1.228 67 F CB -0.242 38.743 39.000 -0.025 0.000 0.984 67 F HN -0.031 nan 8.300 nan 0.000 0.477 68 D N 0.011 120.398 120.400 -0.021 0.000 2.351 68 D HA -0.093 4.547 4.640 0.001 0.000 0.216 68 D C 1.540 177.755 176.300 -0.143 0.000 0.968 68 D CA 0.937 54.881 54.000 -0.094 0.000 0.899 68 D CB -0.211 40.611 40.800 0.036 0.000 0.907 68 D HN 0.409 nan 8.370 nan 0.000 0.514 69 R N -0.184 120.234 120.500 -0.138 0.000 2.596 69 R HA 0.193 4.534 4.340 0.001 0.000 0.369 69 R C 1.186 177.393 176.300 -0.156 0.000 1.042 69 R CA -0.109 55.920 56.100 -0.117 0.000 1.120 69 R CB 0.635 30.897 30.300 -0.063 0.000 1.353 69 R HN 0.105 nan 8.270 nan 0.000 0.564 70 E N 0.779 120.833 120.200 -0.242 0.000 2.150 70 E HA -0.055 4.296 4.350 0.001 0.000 0.193 70 E C 0.285 176.730 176.600 -0.257 0.000 0.985 70 E CA 0.823 57.047 56.400 -0.293 0.000 0.814 70 E CB 0.275 29.769 29.700 -0.343 0.000 0.752 70 E HN 0.095 nan 8.360 nan 0.000 0.466 71 R N 1.258 121.657 120.500 -0.167 0.000 2.490 71 R HA 0.349 4.690 4.340 0.001 0.000 0.278 71 R C 0.517 176.824 176.300 0.011 0.000 1.069 71 R CA -0.164 55.905 56.100 -0.052 0.000 1.080 71 R CB 0.709 30.975 30.300 -0.055 0.000 1.030 71 R HN 0.150 nan 8.270 nan 0.000 0.491 72 I N -1.206 119.422 120.570 0.097 0.000 3.067 72 I HA 0.598 4.769 4.170 0.001 0.000 0.312 72 I C -2.247 173.880 176.117 0.017 0.000 1.073 72 I CA -2.997 58.330 61.300 0.045 0.000 1.016 72 I CB 1.600 39.648 38.000 0.079 0.000 1.227 72 I HN 0.239 nan 8.210 nan 0.000 0.456 73 P HA 0.114 nan 4.420 nan 0.000 0.268 73 P C -0.950 176.363 177.300 0.022 0.000 1.205 73 P CA -0.142 62.963 63.100 0.008 0.000 0.771 73 P CB 0.430 32.144 31.700 0.022 0.000 0.858 74 E N 2.522 122.748 120.200 0.043 0.000 2.371 74 E HA 0.196 4.547 4.350 0.001 0.000 0.257 74 E C -0.435 176.190 176.600 0.041 0.000 1.134 74 E CA -0.825 55.598 56.400 0.038 0.000 0.919 74 E CB 0.611 30.337 29.700 0.042 0.000 1.025 74 E HN 0.249 nan 8.360 nan 0.000 0.438 75 R N 0.406 120.925 120.500 0.032 0.000 2.698 75 R HA -0.033 4.308 4.340 0.001 0.000 0.266 75 R C 1.003 177.334 176.300 0.053 0.000 1.026 75 R CA 0.120 56.240 56.100 0.035 0.000 1.102 75 R CB 0.594 30.917 30.300 0.039 0.000 0.978 75 R HN 0.535 nan 8.270 nan 0.000 0.436 76 V N 3.376 123.322 119.914 0.053 0.000 2.759 76 V HA -0.071 4.050 4.120 0.001 0.000 0.256 76 V C 0.350 176.482 176.094 0.063 0.000 1.080 76 V CA 1.450 63.784 62.300 0.058 0.000 1.101 76 V CB 0.201 32.058 31.823 0.058 0.000 0.698 76 V HN 0.516 nan 8.190 nan 0.000 0.477 77 V N -4.125 115.848 119.914 0.098 0.000 3.114 77 V HA 0.581 4.702 4.120 0.001 0.000 0.308 77 V C 0.079 176.300 176.094 0.212 0.000 1.168 77 V CA -0.794 61.582 62.300 0.127 0.000 1.015 77 V CB 1.492 33.463 31.823 0.248 0.000 1.050 77 V HN 0.430 nan 8.190 nan 0.000 0.433 78 H N 0.544 119.635 119.070 0.035 0.000 2.839 78 H HA -0.212 4.345 4.556 0.001 0.000 0.298 78 H C 1.444 176.799 175.328 0.044 0.000 1.224 78 H CA 0.767 56.840 56.048 0.043 0.000 1.144 78 H CB -1.117 28.673 29.762 0.047 0.000 1.372 78 H HN 1.196 nan 8.280 nan 0.000 0.408 79 A N 0.711 123.594 122.820 0.106 0.000 1.968 79 A HA -0.070 4.251 4.320 0.001 0.000 0.217 79 A C 1.693 179.346 177.584 0.116 0.000 1.169 79 A CA 1.101 53.193 52.037 0.091 0.000 0.638 79 A CB 0.013 19.052 19.000 0.064 0.000 0.812 79 A HN 0.238 nan 8.150 nan 0.000 0.446 80 R N 0.503 121.082 120.500 0.131 0.000 2.196 80 R HA 0.508 4.849 4.340 0.001 0.000 0.340 80 R C -0.095 176.337 176.300 0.220 0.000 1.043 80 R CA 0.566 56.769 56.100 0.173 0.000 0.883 80 R CB 0.060 30.466 30.300 0.177 0.000 1.078 80 R HN 0.298 nan 8.270 nan 0.000 0.462 81 G N 1.092 110.047 108.800 0.257 0.000 2.684 81 G HA2 0.548 4.509 3.960 0.001 0.000 0.290 81 G HA3 0.548 4.509 3.960 0.001 0.000 0.290 81 G C -1.496 173.592 174.900 0.313 0.000 1.425 81 G CA -0.582 44.660 45.100 0.237 0.000 0.822 81 G HN 0.444 nan 8.290 nan 0.000 0.482 82 T N -0.319 114.364 114.554 0.214 0.000 2.881 82 T HA 0.699 5.050 4.350 0.001 0.000 0.290 82 T C 0.078 174.802 174.700 0.040 0.000 1.000 82 T CA -0.308 61.931 62.100 0.232 0.000 0.978 82 T CB 1.849 70.876 68.868 0.266 0.000 0.997 82 T HN 0.953 nan 8.240 nan 0.000 0.443 83 G N 1.196 109.994 108.800 -0.003 0.000 2.420 83 G HA2 0.769 4.730 3.960 0.001 0.000 0.331 83 G HA3 0.769 4.730 3.960 0.001 0.000 0.331 83 G C -0.648 174.021 174.900 -0.386 0.000 1.168 83 G CA -0.831 44.131 45.100 -0.231 0.000 0.936 83 G HN 0.958 nan 8.290 nan 0.000 0.479 84 V N -1.444 118.024 119.914 -0.743 0.000 3.206 84 V HA 0.789 4.910 4.120 0.001 0.000 0.305 84 V C -0.839 174.792 176.094 -0.771 0.000 1.257 84 V CA -1.473 60.502 62.300 -0.542 0.000 1.057 84 V CB 1.856 33.524 31.823 -0.257 0.000 1.075 84 V HN 0.745 nan 8.190 nan 0.000 0.443 85 K N 0.070 120.204 120.400 -0.444 0.000 2.340 85 K HA 0.936 5.257 4.320 0.001 0.000 0.244 85 K C -0.072 176.386 176.600 -0.237 0.000 0.973 85 K CA -0.147 55.938 56.287 -0.336 0.000 0.828 85 K CB 2.312 34.701 32.500 -0.186 0.000 1.226 85 K HN 1.324 nan 8.250 nan 0.000 0.437 86 G N 0.356 109.053 108.800 -0.171 0.000 2.510 86 G HA2 0.320 4.281 3.960 0.001 0.000 0.277 86 G HA3 0.320 4.281 3.960 0.001 0.000 0.277 86 G C -1.570 173.296 174.900 -0.058 0.000 1.223 86 G CA -0.414 44.603 45.100 -0.139 0.000 0.887 86 G HN 0.395 nan 8.290 nan 0.000 0.485 87 E N -1.059 119.136 120.200 -0.009 0.000 2.390 87 E HA 0.499 4.850 4.350 0.001 0.000 0.277 87 E C -2.050 174.658 176.600 0.181 0.000 0.939 87 E CA -0.564 55.881 56.400 0.075 0.000 0.769 87 E CB 3.112 32.838 29.700 0.043 0.000 1.251 87 E HN 0.384 nan 8.360 nan 0.000 0.450 88 F N 0.794 120.815 119.950 0.118 0.000 2.495 88 F HA 0.497 5.025 4.527 0.002 0.000 0.327 88 F C -0.802 175.116 175.800 0.197 0.000 1.103 88 F CA -0.169 57.963 58.000 0.221 0.000 0.949 88 F CB 1.819 41.070 39.000 0.419 0.000 1.142 88 F HN 0.127 nan 8.300 nan 0.000 0.457 89 T N 5.664 119.820 114.554 -0.664 0.000 2.809 89 T HA 0.697 5.048 4.350 0.001 0.000 0.284 89 T C -0.357 173.857 174.700 -0.811 0.000 0.992 89 T CA -0.457 61.336 62.100 -0.512 0.000 0.957 89 T CB 1.187 69.928 68.868 -0.213 0.000 0.942 89 T HN 0.838 nan 8.240 nan 0.000 0.439 90 A N 2.207 124.729 122.820 -0.496 0.000 2.351 90 A HA 0.609 4.930 4.320 0.001 0.000 0.257 90 A C 1.023 178.548 177.584 -0.098 0.000 1.087 90 A CA -0.318 51.603 52.037 -0.194 0.000 0.798 90 A CB 0.243 19.327 19.000 0.141 0.000 1.033 90 A HN 0.994 nan 8.150 nan 0.000 0.488 91 S N -0.645 115.035 115.700 -0.033 0.000 2.993 91 S HA 0.585 5.056 4.470 0.001 0.000 0.257 91 S C 0.133 174.728 174.600 -0.008 0.000 0.997 91 S CA 0.397 58.579 58.200 -0.031 0.000 1.191 91 S CB -0.378 62.792 63.200 -0.050 0.000 1.143 91 S HN 1.818 nan 8.310 nan 0.000 0.655 92 A N 0.925 123.753 122.820 0.013 0.000 2.530 92 A HA 0.761 5.082 4.320 0.001 0.000 0.288 92 A C -1.747 175.843 177.584 0.010 0.000 1.172 92 A CA -0.489 51.550 52.037 0.002 0.000 0.733 92 A CB 1.206 20.197 19.000 -0.014 0.000 1.320 92 A HN 0.148 nan 8.150 nan 0.000 0.419 93 D N 0.957 121.354 120.400 -0.006 0.000 2.467 93 D HA 0.424 5.065 4.640 0.001 0.000 0.220 93 D C 0.097 176.378 176.300 -0.032 0.000 1.103 93 D CA -0.182 53.814 54.000 -0.007 0.000 0.886 93 D CB 0.075 40.869 40.800 -0.009 0.000 1.025 93 D HN 0.466 nan 8.370 nan 0.000 0.514 94 I N 0.909 121.458 120.570 -0.035 0.000 3.654 94 I HA 0.205 4.376 4.170 0.001 0.000 0.337 94 I C 1.260 177.334 176.117 -0.072 0.000 1.568 94 I CA -0.501 60.743 61.300 -0.094 0.000 1.115 94 I CB 0.334 38.226 38.000 -0.180 0.000 1.300 94 I HN 0.120 nan 8.210 nan 0.000 0.471 95 S N 0.765 116.447 115.700 -0.031 0.000 2.419 95 S HA -0.228 4.243 4.470 0.001 0.000 0.233 95 S C 1.479 176.060 174.600 -0.031 0.000 1.016 95 S CA 1.410 59.601 58.200 -0.014 0.000 0.974 95 S CB -0.621 62.577 63.200 -0.002 0.000 0.786 95 S HN 0.728 nan 8.310 nan 0.000 0.492 96 D N 1.566 121.933 120.400 -0.054 0.000 2.264 96 D HA -0.061 4.580 4.640 0.001 0.000 0.208 96 D C 1.922 178.150 176.300 -0.119 0.000 0.966 96 D CA 0.785 54.748 54.000 -0.062 0.000 0.864 96 D CB -0.199 40.556 40.800 -0.075 0.000 0.933 96 D HN 0.466 nan 8.370 nan 0.000 0.499 97 L N -0.578 120.535 121.223 -0.184 0.000 2.269 97 L HA 0.126 4.467 4.340 0.001 0.000 0.200 97 L C 1.188 177.999 176.870 -0.099 0.000 1.069 97 L CA 0.175 54.867 54.840 -0.246 0.000 0.804 97 L CB 0.274 42.133 42.059 -0.333 0.000 0.987 97 L HN -0.083 nan 8.230 nan 0.000 0.468 98 S N -0.640 115.016 115.700 -0.073 0.000 2.546 98 S HA 0.275 4.746 4.470 0.001 0.000 0.274 98 S C 0.115 174.742 174.600 0.044 0.000 1.121 98 S CA -0.779 57.423 58.200 0.004 0.000 0.887 98 S CB 1.650 64.891 63.200 0.069 0.000 1.094 98 S HN 0.312 nan 8.310 nan 0.000 0.474 99 K N 2.036 122.451 120.400 0.025 0.000 2.444 99 K HA 0.454 4.775 4.320 0.001 0.000 0.193 99 K C 0.600 177.197 176.600 -0.005 0.000 1.024 99 K CA -0.020 56.273 56.287 0.011 0.000 1.077 99 K CB 0.085 32.581 32.500 -0.006 0.000 0.833 99 K HN 0.460 nan 8.250 nan 0.000 0.517 100 A N 1.452 124.268 122.820 -0.006 0.000 2.477 100 A HA 0.110 4.431 4.320 0.001 0.000 0.246 100 A C 0.887 178.383 177.584 -0.146 0.000 1.078 100 A CA -0.247 51.702 52.037 -0.146 0.000 0.770 100 A CB 0.330 19.114 19.000 -0.360 0.000 1.011 100 A HN 0.295 nan 8.150 nan 0.000 0.494 101 T N 2.119 116.583 114.554 -0.150 0.000 2.881 101 T HA -0.133 4.218 4.350 0.001 0.000 0.270 101 T C 1.817 176.442 174.700 -0.126 0.000 1.068 101 T CA 1.350 63.393 62.100 -0.095 0.000 1.131 101 T CB -0.243 68.587 68.868 -0.063 0.000 0.871 101 T HN 0.564 nan 8.240 nan 0.000 0.479 102 V N 0.741 120.473 119.914 -0.302 0.000 2.568 102 V HA -0.108 4.013 4.120 0.001 0.000 0.253 102 V C 1.449 177.434 176.094 -0.181 0.000 1.072 102 V CA 1.595 63.705 62.300 -0.317 0.000 1.084 102 V CB -0.624 30.818 31.823 -0.635 0.000 0.676 102 V HN 0.631 nan 8.190 nan 0.000 0.469 103 F N -0.103 119.854 119.950 0.012 0.000 2.765 103 F HA 0.255 4.783 4.527 0.001 0.000 0.302 103 F C 1.257 177.080 175.800 0.037 0.000 1.111 103 F CA -0.132 57.899 58.000 0.052 0.000 1.359 103 F CB 0.119 39.102 39.000 -0.029 0.000 1.097 103 F HN -0.007 nan 8.300 nan 0.000 0.577 104 K N 1.774 122.261 120.400 0.145 0.000 2.379 104 K HA 0.064 4.385 4.320 0.001 0.000 0.284 104 K C 0.388 177.031 176.600 0.071 0.000 1.044 104 K CA -0.086 56.254 56.287 0.088 0.000 0.974 104 K CB 0.755 33.283 32.500 0.046 0.000 0.962 104 K HN -0.040 nan 8.250 nan 0.000 0.474 105 S N 3.004 118.735 115.700 0.052 0.000 2.563 105 S HA 0.151 4.621 4.470 0.001 0.000 0.294 105 S C 1.099 175.707 174.600 0.013 0.000 1.279 105 S CA 1.340 59.556 58.200 0.027 0.000 1.069 105 S CB -0.308 62.901 63.200 0.015 0.000 0.828 105 S HN 0.965 nan 8.310 nan 0.000 0.497 106 G N 3.163 111.959 108.800 -0.005 0.000 2.199 106 G HA2 -0.267 3.694 3.960 0.001 0.000 0.254 106 G HA3 -0.267 3.694 3.960 0.001 0.000 0.254 106 G C -0.078 174.819 174.900 -0.005 0.000 0.982 106 G CA 0.427 45.520 45.100 -0.012 0.000 0.632 106 G HN 0.847 nan 8.290 nan 0.000 0.529 107 E N 0.942 121.150 120.200 0.013 0.000 2.344 107 E HA 0.510 4.861 4.350 0.001 0.000 0.270 107 E C 0.278 176.901 176.600 0.039 0.000 1.021 107 E CA -0.121 56.300 56.400 0.035 0.000 0.887 107 E CB 0.390 30.122 29.700 0.055 0.000 0.997 107 E HN 0.347 nan 8.360 nan 0.000 0.429 108 K N 3.227 123.657 120.400 0.049 0.000 2.339 108 K HA 0.341 4.662 4.320 0.001 0.000 0.264 108 K C -1.278 175.397 176.600 0.125 0.000 0.986 108 K CA -0.487 55.840 56.287 0.066 0.000 0.866 108 K CB 1.171 33.689 32.500 0.030 0.000 1.103 108 K HN 0.518 nan 8.250 nan 0.000 0.441 109 T N 6.278 120.967 114.554 0.224 0.000 2.807 109 T HA 0.390 4.741 4.350 0.001 0.000 0.279 109 T C -2.671 172.187 174.700 0.263 0.000 0.993 109 T CA -1.676 60.582 62.100 0.264 0.000 0.970 109 T CB 1.722 70.825 68.868 0.392 0.000 0.950 109 T HN 0.437 nan 8.240 nan 0.000 0.441 110 P HA 0.357 nan 4.420 nan 0.000 0.272 110 P C -0.735 176.733 177.300 0.281 0.000 1.223 110 P CA -0.462 62.744 63.100 0.177 0.000 0.784 110 P CB 0.588 32.341 31.700 0.088 0.000 0.923 111 V N -0.925 119.086 119.914 0.161 0.000 3.102 111 V HA 0.725 4.845 4.120 0.001 0.000 0.312 111 V C -1.392 174.755 176.094 0.088 0.000 1.135 111 V CA -1.061 61.251 62.300 0.020 0.000 1.022 111 V CB 2.238 33.879 31.823 -0.304 0.000 1.056 111 V HN 0.385 nan 8.190 nan 0.000 0.436 112 F N 1.455 121.302 119.950 -0.172 0.000 2.539 112 F HA 0.827 5.355 4.527 0.002 0.000 0.318 112 F C -0.895 174.676 175.800 -0.382 0.000 1.135 112 F CA -0.551 57.346 58.000 -0.172 0.000 0.915 112 F CB 1.985 40.938 39.000 -0.078 0.000 1.176 112 F HN 0.532 nan 8.300 nan 0.000 0.440 113 V N 6.593 126.097 119.914 -0.683 0.000 2.495 113 V HA 0.552 4.673 4.120 0.001 0.000 0.298 113 V C -0.653 175.011 176.094 -0.717 0.000 1.031 113 V CA -0.783 61.089 62.300 -0.713 0.000 0.871 113 V CB 1.904 33.161 31.823 -0.943 0.000 0.988 113 V HN 0.735 nan 8.190 nan 0.000 0.432 114 R N 3.412 123.578 120.500 -0.556 0.000 2.439 114 R HA 0.598 4.939 4.340 0.001 0.000 0.310 114 R C -1.630 174.304 176.300 -0.610 0.000 0.955 114 R CA -0.412 55.451 56.100 -0.395 0.000 0.853 114 R CB 1.041 31.273 30.300 -0.113 0.000 1.171 114 R HN 0.514 nan 8.270 nan 0.000 0.449 115 F N 1.594 121.254 119.950 -0.483 0.000 2.440 115 F HA 0.572 5.100 4.527 0.001 0.000 0.328 115 F C 0.441 175.984 175.800 -0.428 0.000 1.070 115 F CA -0.018 57.526 58.000 -0.759 0.000 1.011 115 F CB 2.117 40.035 39.000 -1.802 0.000 1.226 115 F HN 0.648 nan 8.300 nan 0.000 0.491 116 S N -0.773 114.967 115.700 0.068 0.000 2.615 116 S HA 0.635 5.106 4.470 0.001 0.000 0.268 116 S C -0.903 173.932 174.600 0.391 0.000 1.146 116 S CA -0.851 57.523 58.200 0.289 0.000 0.818 116 S CB 0.969 64.331 63.200 0.269 0.000 1.111 116 S HN 0.724 nan 8.310 nan 0.000 0.465 117 S N 0.040 115.890 115.700 0.249 0.000 2.690 117 S HA 0.796 5.267 4.470 0.001 0.000 0.285 117 S C 0.536 174.958 174.600 -0.296 0.000 1.135 117 S CA -0.157 58.001 58.200 -0.069 0.000 1.020 117 S CB 0.648 63.843 63.200 -0.009 0.000 1.159 117 S HN 0.974 nan 8.310 nan 0.000 0.534 118 V N -0.697 118.963 119.914 -0.423 0.000 2.950 118 V HA 0.092 4.213 4.120 0.001 0.000 0.231 118 V C 2.161 178.048 176.094 -0.346 0.000 1.205 118 V CA 0.450 62.387 62.300 -0.605 0.000 1.239 118 V CB -0.483 31.003 31.823 -0.563 0.000 1.050 118 V HN 0.685 nan 8.190 nan 0.000 0.498 119 V N -0.205 119.516 119.914 -0.321 0.000 2.346 119 V HA -0.035 4.086 4.120 0.001 0.000 0.244 119 V C 1.184 177.054 176.094 -0.373 0.000 1.037 119 V CA 1.328 63.396 62.300 -0.387 0.000 1.029 119 V CB -0.602 30.880 31.823 -0.567 0.000 0.663 119 V HN 0.557 nan 8.190 nan 0.000 0.454 120 H N -0.792 118.246 119.070 -0.053 0.000 2.544 120 H HA 0.525 5.082 4.556 0.002 0.000 0.365 120 H C 0.781 176.117 175.328 0.012 0.000 1.268 120 H CA 0.455 56.499 56.048 -0.007 0.000 1.400 120 H CB 0.254 30.024 29.762 0.014 0.000 1.538 120 H HN 0.332 nan 8.280 nan 0.000 0.597 121 G N -0.371 108.523 108.800 0.157 0.000 2.553 121 G HA2 0.079 4.040 3.960 0.001 0.000 0.278 121 G HA3 0.079 4.040 3.960 0.001 0.000 0.278 121 G C -0.420 174.537 174.900 0.095 0.000 1.349 121 G CA -0.866 44.291 45.100 0.095 0.000 1.037 121 G HN 0.878 nan 8.290 nan 0.000 0.508 122 N N -2.820 115.904 118.700 0.039 0.000 2.508 122 N HA 0.189 4.930 4.740 0.001 0.000 0.264 122 N C 0.080 175.581 175.510 -0.014 0.000 1.216 122 N CA 0.002 53.033 53.050 -0.030 0.000 0.943 122 N CB 0.246 38.665 38.487 -0.114 0.000 1.113 122 N HN 0.892 nan 8.380 nan 0.000 0.447 123 H N -2.458 116.700 119.070 0.147 0.000 2.992 123 H HA -0.196 4.361 4.556 0.002 0.000 0.266 123 H C -0.625 174.801 175.328 0.163 0.000 1.200 123 H CA 0.507 56.668 56.048 0.189 0.000 1.135 123 H CB -1.829 28.011 29.762 0.130 0.000 1.282 123 H HN 0.792 nan 8.280 nan 0.000 0.351 124 S N 0.499 116.344 115.700 0.241 0.000 2.576 124 S HA 0.346 4.817 4.470 0.001 0.000 0.276 124 S C -2.379 172.352 174.600 0.218 0.000 1.339 124 S CA -1.418 56.885 58.200 0.171 0.000 1.039 124 S CB 1.590 64.882 63.200 0.154 0.000 0.902 124 S HN -0.021 nan 8.310 nan 0.000 0.516 125 P HA 0.086 nan 4.420 nan 0.000 0.262 125 P C 0.083 177.494 177.300 0.185 0.000 1.182 125 P CA 0.060 63.288 63.100 0.213 0.000 0.761 125 P CB 0.210 31.987 31.700 0.128 0.000 0.795 126 E N 0.869 121.191 120.200 0.203 0.000 2.482 126 E HA -0.070 4.281 4.350 0.001 0.000 0.196 126 E C 1.008 177.765 176.600 0.261 0.000 1.047 126 E CA 0.817 57.317 56.400 0.166 0.000 0.869 126 E CB -0.224 29.461 29.700 -0.024 0.000 0.836 126 E HN 0.589 nan 8.360 nan 0.000 0.520 127 T N -0.982 113.733 114.554 0.268 0.000 3.113 127 T HA 0.099 4.450 4.350 0.001 0.000 0.256 127 T C 0.945 175.728 174.700 0.138 0.000 1.131 127 T CA -0.074 62.139 62.100 0.189 0.000 1.074 127 T CB -0.036 68.858 68.868 0.045 0.000 0.944 127 T HN -0.027 nan 8.240 nan 0.000 0.516 128 L N 2.137 123.435 121.223 0.126 0.000 2.453 128 L HA 0.274 4.615 4.340 0.001 0.000 0.272 128 L C 0.991 177.933 176.870 0.120 0.000 1.182 128 L CA -0.720 54.168 54.840 0.080 0.000 0.858 128 L CB 0.410 42.474 42.059 0.008 0.000 1.120 128 L HN 0.198 nan 8.230 nan 0.000 0.474 129 R N 2.902 123.459 120.500 0.095 0.000 2.484 129 R HA 0.126 4.466 4.340 0.001 0.000 0.293 129 R C -1.147 175.160 176.300 0.010 0.000 1.023 129 R CA 0.381 56.528 56.100 0.079 0.000 1.037 129 R CB 0.356 30.682 30.300 0.043 0.000 0.951 129 R HN 0.624 nan 8.270 nan 0.000 0.418 130 D N 3.385 123.771 120.400 -0.022 0.000 2.798 130 D HA 0.238 4.879 4.640 0.001 0.000 0.265 130 D C -2.869 173.239 176.300 -0.319 0.000 1.223 130 D CA -1.111 52.766 54.000 -0.205 0.000 0.743 130 D CB 1.884 42.471 40.800 -0.355 0.000 1.276 130 D HN 0.255 nan 8.370 nan 0.000 0.421 131 P HA 0.332 nan 4.420 nan 0.000 0.272 131 P C -0.822 176.086 177.300 -0.654 0.000 1.230 131 P CA 0.114 62.678 63.100 -0.894 0.000 0.788 131 P CB 0.461 31.816 31.700 -0.575 0.000 0.949 132 H N -1.287 117.646 119.070 -0.229 0.000 2.572 132 H HA 0.576 5.132 4.556 0.002 0.000 0.359 132 H C 0.653 176.091 175.328 0.184 0.000 1.134 132 H CA -0.413 55.681 56.048 0.075 0.000 1.187 132 H CB 1.123 31.017 29.762 0.220 0.000 1.597 132 H HN 0.486 nan 8.280 nan 0.000 0.524 133 G N 1.398 110.422 108.800 0.373 0.000 2.476 133 G HA2 0.357 4.318 3.960 0.001 0.000 0.269 133 G HA3 0.357 4.318 3.960 0.001 0.000 0.269 133 G C -1.068 173.970 174.900 0.229 0.000 1.195 133 G CA -0.385 44.905 45.100 0.316 0.000 0.843 133 G HN 0.630 nan 8.290 nan 0.000 0.545 134 F N 1.726 121.638 119.950 -0.064 0.000 3.094 134 F HA 0.518 5.046 4.527 0.001 0.000 0.385 134 F C 0.023 175.603 175.800 -0.366 0.000 1.231 134 F CA -0.997 56.845 58.000 -0.263 0.000 1.207 134 F CB 0.828 39.777 39.000 -0.084 0.000 1.703 134 F HN 0.674 nan 8.300 nan 0.000 0.610 135 A N 3.224 125.940 122.820 -0.173 0.000 2.288 135 A HA 0.732 5.053 4.320 0.001 0.000 0.320 135 A C -0.565 176.795 177.584 -0.374 0.000 1.217 135 A CA -0.402 51.480 52.037 -0.259 0.000 0.840 135 A CB 1.130 19.979 19.000 -0.252 0.000 1.179 135 A HN 0.479 nan 8.150 nan 0.000 0.504 136 T N 2.451 116.743 114.554 -0.436 0.000 2.786 136 T HA 0.369 4.720 4.350 0.001 0.000 0.283 136 T C -0.272 174.041 174.700 -0.644 0.000 0.992 136 T CA -0.448 61.286 62.100 -0.610 0.000 0.954 136 T CB 0.987 69.398 68.868 -0.761 0.000 0.934 136 T HN 0.634 nan 8.240 nan 0.000 0.440 137 K N 3.638 123.700 120.400 -0.564 0.000 2.264 137 K HA 0.422 4.743 4.320 0.001 0.000 0.277 137 K C -1.190 175.036 176.600 -0.623 0.000 1.067 137 K CA -0.556 55.397 56.287 -0.557 0.000 0.900 137 K CB 0.250 32.410 32.500 -0.566 0.000 1.124 137 K HN 0.373 nan 8.250 nan 0.000 0.469 138 F N 4.089 123.773 119.950 -0.444 0.000 2.411 138 F HA 0.217 4.745 4.527 0.001 0.000 0.355 138 F C -0.263 175.401 175.800 -0.227 0.000 1.117 138 F CA -0.526 57.328 58.000 -0.242 0.000 1.139 138 F CB 0.668 39.601 39.000 -0.112 0.000 1.120 138 F HN 0.443 nan 8.300 nan 0.000 0.493 139 Y N 1.773 122.151 120.300 0.130 0.000 2.636 139 Y HA 0.189 4.740 4.550 0.001 0.000 0.334 139 Y C 1.104 177.057 175.900 0.089 0.000 1.286 139 Y CA -0.857 57.290 58.100 0.077 0.000 1.688 139 Y CB -0.535 37.946 38.460 0.035 0.000 1.662 139 Y HN 0.556 nan 8.280 nan 0.000 0.465 140 T N -2.201 112.463 114.554 0.184 0.000 2.816 140 T HA 0.428 4.779 4.350 0.001 0.000 0.282 140 T C 1.391 176.134 174.700 0.071 0.000 0.993 140 T CA -0.286 61.879 62.100 0.108 0.000 0.994 140 T CB 1.451 70.326 68.868 0.011 0.000 1.025 140 T HN 0.513 nan 8.240 nan 0.000 0.529 141 A N 0.331 123.172 122.820 0.035 0.000 2.206 141 A HA 0.124 4.445 4.320 0.001 0.000 0.211 141 A C 1.455 179.039 177.584 0.001 0.000 1.158 141 A CA 0.670 52.719 52.037 0.021 0.000 0.761 141 A CB -0.453 18.553 19.000 0.011 0.000 0.801 141 A HN 0.841 nan 8.150 nan 0.000 0.473 142 D N -0.875 119.515 120.400 -0.017 0.000 2.398 142 D HA 0.392 5.033 4.640 0.001 0.000 0.210 142 D C 0.913 177.205 176.300 -0.013 0.000 1.094 142 D CA 1.219 55.202 54.000 -0.029 0.000 0.839 142 D CB 0.628 41.388 40.800 -0.067 0.000 0.963 142 D HN 0.531 nan 8.370 nan 0.000 0.506 143 G N 0.481 109.288 108.800 0.012 0.000 2.354 143 G HA2 -0.137 3.824 3.960 0.001 0.000 0.582 143 G HA3 -0.137 3.824 3.960 0.001 0.000 0.582 143 G C -1.198 173.730 174.900 0.047 0.000 1.316 143 G CA -1.082 44.034 45.100 0.028 0.000 0.995 143 G HN -0.041 nan 8.290 nan 0.000 0.573 144 N N -0.264 118.459 118.700 0.039 0.000 2.444 144 N HA 0.497 5.238 4.740 0.001 0.000 0.271 144 N C -0.924 174.626 175.510 0.067 0.000 1.069 144 N CA -0.082 52.975 53.050 0.011 0.000 0.965 144 N CB 1.175 39.618 38.487 -0.073 0.000 1.092 144 N HN 0.614 nan 8.380 nan 0.000 0.476 145 W N 2.869 124.090 121.300 -0.132 0.000 2.475 145 W HA 0.370 5.031 4.660 0.001 0.000 0.317 145 W C -1.232 175.231 176.519 -0.093 0.000 1.046 145 W CA -0.818 56.435 57.345 -0.152 0.000 1.215 145 W CB 0.758 30.057 29.460 -0.268 0.000 1.335 145 W HN 0.352 nan 8.180 nan 0.000 0.471 146 D N 5.350 125.457 120.400 -0.488 0.000 2.217 146 D HA 0.282 4.923 4.640 0.001 0.000 0.243 146 D C -1.122 174.561 176.300 -1.029 0.000 1.054 146 D CA -0.427 53.183 54.000 -0.650 0.000 0.838 146 D CB 2.077 42.631 40.800 -0.411 0.000 1.162 146 D HN 0.337 nan 8.370 nan 0.000 0.472 147 L N 3.243 123.886 121.223 -0.967 0.000 2.337 147 L HA 0.313 4.654 4.340 0.001 0.000 0.269 147 L C -1.303 175.287 176.870 -0.468 0.000 1.018 147 L CA -0.679 53.636 54.840 -0.876 0.000 0.876 147 L CB 1.229 42.686 42.059 -1.004 0.000 1.236 147 L HN 0.100 nan 8.230 nan 0.000 0.436 148 V N 5.721 125.426 119.914 -0.349 0.000 2.288 148 V HA 0.740 4.860 4.120 0.001 0.000 0.266 148 V C 0.857 176.865 176.094 -0.143 0.000 1.048 148 V CA 0.069 62.212 62.300 -0.262 0.000 0.842 148 V CB 0.260 31.873 31.823 -0.349 0.000 1.064 148 V HN 0.844 nan 8.190 nan 0.000 0.472 149 G N 3.626 112.364 108.800 -0.102 0.000 3.016 149 G HA2 0.693 4.654 3.960 0.001 0.000 0.270 149 G HA3 0.693 4.654 3.960 0.001 0.000 0.270 149 G C -1.039 173.901 174.900 0.067 0.000 1.352 149 G CA -0.618 44.469 45.100 -0.022 0.000 1.060 149 G HN 0.500 nan 8.290 nan 0.000 0.538 150 N N -1.134 117.646 118.700 0.132 0.000 2.647 150 N HA 0.217 4.958 4.740 0.001 0.000 0.266 150 N C 1.058 176.728 175.510 0.267 0.000 1.373 150 N CA -0.689 52.486 53.050 0.207 0.000 0.807 150 N CB 1.797 40.393 38.487 0.181 0.000 1.513 150 N HN 0.487 nan 8.380 nan 0.000 0.505 151 N N 0.129 118.999 118.700 0.285 0.000 2.142 151 N HA -0.097 4.643 4.740 0.001 0.000 0.186 151 N C -0.005 175.762 175.510 0.429 0.000 1.023 151 N CA 1.280 54.550 53.050 0.367 0.000 0.852 151 N CB -0.392 38.309 38.487 0.357 0.000 0.998 151 N HN 0.320 nan 8.380 nan 0.000 0.424 152 F N 1.819 121.889 119.950 0.200 0.000 2.484 152 F HA 0.274 4.802 4.527 0.001 0.000 0.360 152 F C -1.128 174.719 175.800 0.079 0.000 1.101 152 F CA -2.774 55.295 58.000 0.116 0.000 1.251 152 F CB 0.295 39.324 39.000 0.048 0.000 1.132 152 F HN 0.039 nan 8.300 nan 0.000 0.570 153 P HA 0.019 nan 4.420 nan 0.000 0.245 153 P C -0.007 177.304 177.300 0.018 0.000 1.206 153 P CA 0.610 63.751 63.100 0.070 0.000 0.781 153 P CB 0.234 31.928 31.700 -0.010 0.000 0.994 154 T N -3.926 110.660 114.554 0.053 0.000 2.901 154 T HA 0.629 4.980 4.350 0.001 0.000 0.293 154 T C -1.002 173.762 174.700 0.106 0.000 1.084 154 T CA -0.775 61.340 62.100 0.026 0.000 1.008 154 T CB 1.783 70.625 68.868 -0.044 0.000 1.170 154 T HN -0.147 nan 8.240 nan 0.000 0.509 155 F N -0.572 119.330 119.950 -0.080 0.000 2.613 155 F HA 0.587 5.115 4.527 0.001 0.000 0.342 155 F C 0.257 176.035 175.800 -0.038 0.000 1.066 155 F CA -1.655 56.306 58.000 -0.065 0.000 1.002 155 F CB 1.637 40.704 39.000 0.112 0.000 1.319 155 F HN 0.613 nan 8.300 nan 0.000 0.495 156 F N 2.012 121.813 119.950 -0.248 0.000 2.512 156 F HA 0.168 4.696 4.527 0.001 0.000 0.296 156 F C 0.467 176.404 175.800 0.227 0.000 1.110 156 F CA 0.285 58.270 58.000 -0.024 0.000 1.446 156 F CB -0.075 38.927 39.000 0.003 0.000 1.092 156 F HN 0.095 nan 8.300 nan 0.000 0.554 157 I N -1.867 119.046 120.570 0.572 0.000 3.145 157 I HA 0.513 4.684 4.170 0.001 0.000 0.313 157 I C 0.443 176.831 176.117 0.451 0.000 1.122 157 I CA -1.194 60.414 61.300 0.514 0.000 0.987 157 I CB 2.307 40.659 38.000 0.586 0.000 1.236 157 I HN -0.055 nan 8.210 nan 0.000 0.453 158 R N -0.026 120.666 120.500 0.319 0.000 2.535 158 R HA 0.429 4.770 4.340 0.001 0.000 0.323 158 R C -0.785 175.639 176.300 0.208 0.000 0.979 158 R CA -0.337 55.912 56.100 0.249 0.000 1.120 158 R CB 0.367 30.771 30.300 0.173 0.000 1.306 158 R HN 0.689 nan 8.270 nan 0.000 0.540 159 D N 0.193 120.731 120.400 0.229 0.000 2.936 159 D HA 0.279 4.920 4.640 0.001 0.000 0.238 159 D C 0.174 176.595 176.300 0.203 0.000 1.248 159 D CA -0.434 53.668 54.000 0.170 0.000 0.903 159 D CB 2.317 43.197 40.800 0.134 0.000 1.544 159 D HN 0.047 nan 8.370 nan 0.000 0.543 160 A N 3.901 126.813 122.820 0.154 0.000 2.172 160 A HA -0.091 4.230 4.320 0.001 0.000 0.216 160 A C 2.067 179.763 177.584 0.187 0.000 1.154 160 A CA 0.543 52.681 52.037 0.168 0.000 0.701 160 A CB -0.424 18.624 19.000 0.079 0.000 0.789 160 A HN 0.724 nan 8.150 nan 0.000 0.465 161 I N -1.237 119.420 120.570 0.145 0.000 2.567 161 I HA -0.162 4.009 4.170 0.001 0.000 0.257 161 I C 1.241 177.445 176.117 0.146 0.000 1.184 161 I CA 1.160 62.533 61.300 0.120 0.000 1.451 161 I CB 0.142 38.191 38.000 0.082 0.000 1.089 161 I HN 0.038 nan 8.210 nan 0.000 0.441 162 K N -0.193 120.331 120.400 0.207 0.000 2.404 162 K HA 0.018 4.339 4.320 0.001 0.000 0.194 162 K C 1.480 178.217 176.600 0.228 0.000 1.023 162 K CA 0.301 56.728 56.287 0.233 0.000 1.094 162 K CB -0.467 32.233 32.500 0.333 0.000 0.841 162 K HN 0.267 nan 8.250 nan 0.000 0.523 163 F N 3.075 123.096 119.950 0.117 0.000 2.134 163 F HA -0.076 4.452 4.527 0.001 0.000 0.299 163 F C -1.034 174.734 175.800 -0.053 0.000 1.097 163 F CA 0.906 58.974 58.000 0.112 0.000 1.264 163 F CB -0.771 38.316 39.000 0.145 0.000 1.001 163 F HN 0.025 nan 8.300 nan 0.000 0.479 164 P HA -0.149 nan 4.420 nan 0.000 0.215 164 P C 1.211 178.070 177.300 -0.735 0.000 1.153 164 P CA 1.924 64.753 63.100 -0.453 0.000 0.853 164 P CB -0.084 31.452 31.700 -0.274 0.000 0.788 165 D N -0.939 119.181 120.400 -0.467 0.000 2.097 165 D HA -0.165 4.476 4.640 0.001 0.000 0.195 165 D C 1.888 177.616 176.300 -0.953 0.000 0.989 165 D CA 1.156 54.836 54.000 -0.534 0.000 0.827 165 D CB -0.538 40.123 40.800 -0.231 0.000 0.966 165 D HN 0.155 nan 8.370 nan 0.000 0.456 166 M N 0.965 120.006 119.600 -0.931 0.000 2.067 166 M HA -0.166 4.315 4.480 0.001 0.000 0.260 166 M C 2.223 178.123 176.300 -0.667 0.000 1.069 166 M CA 1.317 55.988 55.300 -1.048 0.000 1.117 166 M CB -0.053 32.373 32.600 -0.290 0.000 1.334 166 M HN -0.162 nan 8.290 nan 0.000 0.407 167 V N 0.406 119.982 119.914 -0.563 0.000 2.287 167 V HA -0.327 3.794 4.120 0.001 0.000 0.248 167 V C 2.077 178.043 176.094 -0.213 0.000 1.053 167 V CA 2.308 64.382 62.300 -0.376 0.000 1.027 167 V CB -1.378 30.126 31.823 -0.532 0.000 0.646 167 V HN 0.587 nan 8.190 nan 0.000 0.447 168 H N -0.159 118.698 119.070 -0.354 0.000 2.352 168 H HA -0.150 4.407 4.556 0.001 0.000 0.299 168 H C 2.325 177.462 175.328 -0.319 0.000 1.097 168 H CA 1.119 56.997 56.048 -0.284 0.000 1.311 168 H CB -0.070 29.540 29.762 -0.253 0.000 1.377 168 H HN 0.488 nan 8.280 nan 0.000 0.504 169 A N 0.664 123.253 122.820 -0.384 0.000 1.930 169 A HA -0.145 4.176 4.320 0.001 0.000 0.217 169 A C 2.062 179.424 177.584 -0.370 0.000 1.175 169 A CA 1.112 52.877 52.037 -0.454 0.000 0.627 169 A CB -0.829 17.686 19.000 -0.808 0.000 0.815 169 A HN 0.347 nan 8.150 nan 0.000 0.443 170 F N 0.253 119.983 119.950 -0.367 0.000 2.206 170 F HA -0.027 4.500 4.527 0.001 0.000 0.298 170 F C 1.329 176.991 175.800 -0.230 0.000 1.090 170 F CA 0.519 58.349 58.000 -0.284 0.000 1.323 170 F CB 0.149 38.964 39.000 -0.309 0.000 1.028 170 F HN -0.045 nan 8.300 nan 0.000 0.492 171 K N 0.984 121.373 120.400 -0.019 0.000 2.286 171 K HA 0.094 4.415 4.320 0.001 0.000 0.256 171 K C -2.224 174.338 176.600 -0.063 0.000 0.999 171 K CA -1.344 54.885 56.287 -0.098 0.000 0.908 171 K CB -0.458 31.988 32.500 -0.089 0.000 0.981 171 K HN -0.110 nan 8.250 nan 0.000 0.500 172 P HA -0.113 nan 4.420 nan 0.000 0.267 172 P C -0.343 176.947 177.300 -0.018 0.000 1.201 172 P CA 0.106 63.213 63.100 0.011 0.000 0.775 172 P CB 0.357 32.085 31.700 0.047 0.000 0.854 173 D N 3.064 123.461 120.400 -0.005 0.000 2.493 173 D HA -0.032 4.609 4.640 0.001 0.000 0.240 173 D C -1.260 175.020 176.300 -0.034 0.000 1.142 173 D CA -1.384 52.602 54.000 -0.022 0.000 0.872 173 D CB 0.548 41.347 40.800 -0.002 0.000 1.173 173 D HN 0.204 nan 8.370 nan 0.000 0.467 174 P HA -0.050 nan 4.420 nan 0.000 0.226 174 P C 0.965 178.238 177.300 -0.044 0.000 1.153 174 P CA 0.753 63.812 63.100 -0.069 0.000 0.777 174 P CB 0.370 32.007 31.700 -0.106 0.000 0.794 175 R N -0.238 120.243 120.500 -0.031 0.000 2.153 175 R HA 0.028 4.369 4.340 0.001 0.000 0.218 175 R C 1.882 178.176 176.300 -0.011 0.000 1.072 175 R CA 1.886 57.974 56.100 -0.019 0.000 0.990 175 R CB -0.418 29.874 30.300 -0.013 0.000 0.889 175 R HN 0.326 nan 8.270 nan 0.000 0.452 176 T N -4.565 109.985 114.554 -0.006 0.000 2.993 176 T HA 0.100 4.451 4.350 0.001 0.000 0.260 176 T C 0.469 175.174 174.700 0.009 0.000 0.939 176 T CA 0.017 62.119 62.100 0.003 0.000 0.886 176 T CB 0.265 69.139 68.868 0.009 0.000 1.209 176 T HN 0.130 nan 8.240 nan 0.000 0.518 177 N N 0.415 119.119 118.700 0.008 0.000 2.776 177 N HA -0.121 4.620 4.740 0.001 0.000 0.250 177 N C -0.850 174.684 175.510 0.040 0.000 1.112 177 N CA 0.530 53.593 53.050 0.022 0.000 0.733 177 N CB -2.000 36.499 38.487 0.021 0.000 1.097 177 N HN 0.706 nan 8.380 nan 0.000 0.558 178 L N -0.050 121.196 121.223 0.039 0.000 2.342 178 L HA 0.457 4.798 4.340 0.001 0.000 0.271 178 L C 0.164 177.075 176.870 0.068 0.000 1.008 178 L CA -1.102 53.769 54.840 0.052 0.000 0.818 178 L CB 1.157 43.239 42.059 0.038 0.000 1.296 178 L HN 0.000 nan 8.230 nan 0.000 0.427 179 D N 1.934 122.390 120.400 0.094 0.000 2.424 179 D HA 0.068 4.708 4.640 0.001 0.000 0.244 179 D C -0.260 176.091 176.300 0.086 0.000 1.134 179 D CA 0.579 54.648 54.000 0.115 0.000 0.881 179 D CB 0.753 41.644 40.800 0.150 0.000 1.191 179 D HN 0.312 nan 8.370 nan 0.000 0.445 180 N N 1.722 120.468 118.700 0.077 0.000 2.751 180 N HA 0.039 4.780 4.740 0.001 0.000 0.238 180 N C -0.474 175.077 175.510 0.068 0.000 1.351 180 N CA -0.389 52.702 53.050 0.069 0.000 0.751 180 N CB 0.576 39.089 38.487 0.043 0.000 1.342 180 N HN -0.007 nan 8.380 nan 0.000 0.540 181 D N -0.153 120.314 120.400 0.111 0.000 2.351 181 D HA -0.132 4.509 4.640 0.001 0.000 0.216 181 D C 1.725 178.109 176.300 0.141 0.000 0.968 181 D CA 0.953 55.019 54.000 0.110 0.000 0.899 181 D CB 0.141 41.094 40.800 0.255 0.000 0.907 181 D HN 0.649 nan 8.370 nan 0.000 0.514 182 S N 0.265 116.064 115.700 0.164 0.000 2.419 182 S HA -0.163 4.308 4.470 0.001 0.000 0.233 182 S C 1.858 176.525 174.600 0.112 0.000 1.016 182 S CA 0.524 58.835 58.200 0.186 0.000 0.974 182 S CB -0.129 63.147 63.200 0.126 0.000 0.786 182 S HN 0.241 nan 8.310 nan 0.000 0.492 183 R N 1.753 122.268 120.500 0.025 0.000 2.073 183 R HA 0.008 4.349 4.340 0.001 0.000 0.229 183 R C 2.794 179.023 176.300 -0.118 0.000 1.120 183 R CA 1.557 57.638 56.100 -0.032 0.000 0.967 183 R CB -0.412 29.852 30.300 -0.059 0.000 0.862 183 R HN 0.693 nan 8.270 nan 0.000 0.436 184 R N 0.114 120.453 120.500 -0.268 0.000 2.148 184 R HA -0.060 4.281 4.340 0.001 0.000 0.227 184 R C 1.531 177.651 176.300 -0.300 0.000 1.103 184 R CA 1.430 57.235 56.100 -0.492 0.000 0.983 184 R CB -0.463 29.414 30.300 -0.705 0.000 0.874 184 R HN 0.202 nan 8.270 nan 0.000 0.451 185 F N 1.410 121.451 119.950 0.151 0.000 2.416 185 F HA -0.015 4.513 4.527 0.002 0.000 0.296 185 F C 2.117 178.007 175.800 0.150 0.000 1.099 185 F CA 0.609 58.732 58.000 0.205 0.000 1.427 185 F CB -0.098 39.004 39.000 0.169 0.000 1.079 185 F HN 0.111 nan 8.300 nan 0.000 0.536 186 D N 0.581 121.126 120.400 0.243 0.000 2.084 186 D HA -0.267 4.374 4.640 0.001 0.000 0.194 186 D C 2.052 178.525 176.300 0.289 0.000 0.990 186 D CA 1.439 55.567 54.000 0.214 0.000 0.826 186 D CB -0.419 40.475 40.800 0.157 0.000 0.971 186 D HN 0.196 nan 8.370 nan 0.000 0.453 187 F N 0.080 120.026 119.950 -0.007 0.000 2.075 187 F HA -0.059 4.468 4.527 0.001 0.000 0.297 187 F C 2.060 177.913 175.800 0.088 0.000 1.113 187 F CA 1.438 59.397 58.000 -0.068 0.000 1.218 187 F CB -0.788 37.921 39.000 -0.485 0.000 0.984 187 F HN -0.032 nan 8.300 nan 0.000 0.472 188 F N 0.507 120.532 119.950 0.124 0.000 2.451 188 F HA -0.150 4.378 4.527 0.002 0.000 0.299 188 F C 2.638 178.551 175.800 0.187 0.000 1.101 188 F CA 0.718 58.767 58.000 0.082 0.000 1.436 188 F CB -0.562 38.577 39.000 0.231 0.000 1.074 188 F HN 0.108 nan 8.300 nan 0.000 0.553 189 S N -1.212 114.659 115.700 0.284 0.000 2.474 189 S HA -0.204 4.267 4.470 0.001 0.000 0.235 189 S C 1.050 175.649 174.600 -0.002 0.000 0.997 189 S CA 1.092 59.350 58.200 0.095 0.000 0.949 189 S CB -0.773 62.357 63.200 -0.116 0.000 0.766 189 S HN 0.490 nan 8.310 nan 0.000 0.517 190 H N -0.013 119.110 119.070 0.087 0.000 2.551 190 H HA 0.441 4.998 4.556 0.002 0.000 0.271 190 H C -0.307 175.027 175.328 0.010 0.000 0.984 190 H CA 0.160 56.225 56.048 0.028 0.000 1.164 190 H CB 0.505 30.197 29.762 -0.116 0.000 1.437 190 H HN 0.284 nan 8.280 nan 0.000 0.550 191 V N 3.052 123.062 119.914 0.160 0.000 2.313 191 V HA 0.114 4.235 4.120 0.001 0.000 0.262 191 V C -1.682 174.442 176.094 0.050 0.000 1.011 191 V CA -1.042 61.315 62.300 0.095 0.000 0.858 191 V CB 1.595 33.478 31.823 0.101 0.000 1.104 191 V HN 0.180 nan 8.190 nan 0.000 0.456 192 P HA -0.170 nan 4.420 nan 0.000 0.220 192 P C 1.351 178.400 177.300 -0.418 0.000 1.148 192 P CA 1.178 63.843 63.100 -0.724 0.000 0.803 192 P CB 0.420 31.657 31.700 -0.771 0.000 0.782 193 E N 0.709 120.779 120.200 -0.217 0.000 2.338 193 E HA -0.108 4.243 4.350 0.001 0.000 0.197 193 E C 1.701 178.283 176.600 -0.029 0.000 1.007 193 E CA 1.128 57.446 56.400 -0.136 0.000 0.849 193 E CB -1.028 28.654 29.700 -0.030 0.000 0.774 193 E HN 0.172 nan 8.360 nan 0.000 0.506 194 A N 1.296 124.142 122.820 0.045 0.000 2.209 194 A HA -0.009 4.312 4.320 0.001 0.000 0.212 194 A C 2.142 179.770 177.584 0.074 0.000 1.158 194 A CA 1.120 53.202 52.037 0.075 0.000 0.742 194 A CB -0.706 18.244 19.000 -0.084 0.000 0.790 194 A HN 0.281 nan 8.150 nan 0.000 0.472 195 T N -0.392 114.204 114.554 0.070 0.000 2.708 195 T HA -0.181 4.170 4.350 0.001 0.000 0.266 195 T C 2.070 176.887 174.700 0.194 0.000 1.037 195 T CA 1.549 63.763 62.100 0.189 0.000 1.146 195 T CB -0.212 68.787 68.868 0.218 0.000 0.865 195 T HN 0.608 nan 8.240 nan 0.000 0.435 196 R N 0.494 121.046 120.500 0.086 0.000 2.073 196 R HA -0.107 4.234 4.340 0.001 0.000 0.234 196 R C 2.329 178.633 176.300 0.007 0.000 1.134 196 R CA 1.741 57.874 56.100 0.055 0.000 0.952 196 R CB -0.475 29.808 30.300 -0.029 0.000 0.850 196 R HN 0.304 nan 8.270 nan 0.000 0.433 197 T N 1.281 115.789 114.554 -0.077 0.000 2.951 197 T HA -0.008 4.343 4.350 0.001 0.000 0.268 197 T C 1.749 176.398 174.700 -0.085 0.000 1.073 197 T CA 0.759 62.687 62.100 -0.288 0.000 1.134 197 T CB 0.002 68.460 68.868 -0.683 0.000 0.884 197 T HN 0.169 nan 8.240 nan 0.000 0.479 198 L N 0.916 122.271 121.223 0.220 0.000 2.141 198 L HA -0.084 4.256 4.340 0.001 0.000 0.209 198 L C 2.845 179.936 176.870 0.369 0.000 1.094 198 L CA 0.997 56.062 54.840 0.373 0.000 0.763 198 L CB -0.976 41.312 42.059 0.383 0.000 0.908 198 L HN 0.253 nan 8.230 nan 0.000 0.437 199 T N 0.298 115.097 114.554 0.408 0.000 2.720 199 T HA -0.170 4.181 4.350 0.001 0.000 0.268 199 T C 1.951 176.797 174.700 0.243 0.000 1.037 199 T CA 1.247 63.627 62.100 0.468 0.000 1.144 199 T CB -0.225 68.906 68.868 0.437 0.000 0.864 199 T HN 0.200 nan 8.240 nan 0.000 0.444 200 L N 0.222 121.423 121.223 -0.037 0.000 1.994 200 L HA -0.060 4.281 4.340 0.001 0.000 0.208 200 L C 2.490 179.176 176.870 -0.307 0.000 1.071 200 L CA 0.837 55.456 54.840 -0.369 0.000 0.745 200 L CB -0.656 40.712 42.059 -1.153 0.000 0.892 200 L HN 0.208 nan 8.230 nan 0.000 0.431 201 L N -0.727 120.398 121.223 -0.164 0.000 2.043 201 L HA -0.263 4.077 4.340 0.001 0.000 0.212 201 L C 2.111 178.912 176.870 -0.114 0.000 1.075 201 L CA 1.997 56.872 54.840 0.059 0.000 0.752 201 L CB -0.609 41.493 42.059 0.072 0.000 0.891 201 L HN 0.160 nan 8.230 nan 0.000 0.432 202 Y N -0.960 119.397 120.300 0.094 0.000 2.482 202 Y HA 0.158 4.709 4.550 0.001 0.000 0.270 202 Y C 1.804 177.773 175.900 0.115 0.000 1.152 202 Y CA 0.174 58.327 58.100 0.088 0.000 1.292 202 Y CB -0.235 38.217 38.460 -0.014 0.000 1.070 202 Y HN 0.274 nan 8.280 nan 0.000 0.528 203 S N -0.217 115.580 115.700 0.162 0.000 2.641 203 S HA 0.012 4.483 4.470 0.001 0.000 0.261 203 S C 1.044 175.654 174.600 0.017 0.000 1.257 203 S CA -0.540 57.662 58.200 0.004 0.000 0.983 203 S CB 0.490 63.586 63.200 -0.172 0.000 0.990 203 S HN 0.251 nan 8.310 nan 0.000 0.572 204 N N 1.010 119.678 118.700 -0.054 0.000 2.550 204 N HA 0.005 4.746 4.740 0.001 0.000 0.186 204 N C 1.150 176.703 175.510 0.071 0.000 1.110 204 N CA 0.373 53.429 53.050 0.009 0.000 0.912 204 N CB -0.342 38.128 38.487 -0.029 0.000 0.968 204 N HN 0.594 nan 8.380 nan 0.000 0.448 205 E N -0.025 120.231 120.200 0.093 0.000 2.338 205 E HA -0.029 4.321 4.350 0.001 0.000 0.197 205 E C 1.722 178.560 176.600 0.397 0.000 1.007 205 E CA 0.386 56.929 56.400 0.239 0.000 0.849 205 E CB -0.218 29.636 29.700 0.257 0.000 0.774 205 E HN 0.380 nan 8.360 nan 0.000 0.506 206 G N 1.423 110.420 108.800 0.329 0.000 2.598 206 G HA2 -0.130 3.831 3.960 0.001 0.000 0.215 206 G HA3 -0.130 3.831 3.960 0.001 0.000 0.215 206 G C 0.817 175.888 174.900 0.286 0.000 1.131 206 G CA 1.015 46.330 45.100 0.358 0.000 0.785 206 G HN 0.241 nan 8.290 nan 0.000 0.539 207 T N -0.487 114.190 114.554 0.206 0.000 3.317 207 T HA 0.534 4.885 4.350 0.001 0.000 0.361 207 T C -3.148 171.609 174.700 0.094 0.000 1.499 207 T CA -1.973 60.220 62.100 0.155 0.000 1.529 207 T CB 2.507 71.437 68.868 0.104 0.000 0.997 207 T HN -0.150 nan 8.240 nan 0.000 0.624 208 P HA 0.339 nan 4.420 nan 0.000 0.269 208 P C 0.827 178.164 177.300 0.061 0.000 1.215 208 P CA -0.380 62.723 63.100 0.005 0.000 0.780 208 P CB 0.580 32.198 31.700 -0.138 0.000 0.898 209 A N 1.667 124.530 122.820 0.072 0.000 2.072 209 A HA 0.426 4.747 4.320 0.001 0.000 0.216 209 A C 0.980 178.656 177.584 0.153 0.000 1.156 209 A CA 1.422 53.518 52.037 0.099 0.000 0.701 209 A CB -0.737 18.232 19.000 -0.052 0.000 0.816 209 A HN 0.659 nan 8.150 nan 0.000 0.458 210 G N -3.426 105.439 108.800 0.108 0.000 2.579 210 G HA2 0.399 4.359 3.960 0.001 0.000 0.292 210 G HA3 0.399 4.359 3.960 0.001 0.000 0.292 210 G C -0.293 174.474 174.900 -0.221 0.000 1.484 210 G CA -0.502 44.567 45.100 -0.051 0.000 0.813 210 G HN -0.042 nan 8.290 nan 0.000 0.515 211 Y N 0.333 120.403 120.300 -0.383 0.000 2.421 211 Y HA -0.012 4.539 4.550 0.001 0.000 0.292 211 Y C 2.959 178.562 175.900 -0.496 0.000 1.136 211 Y CA 0.957 58.671 58.100 -0.645 0.000 1.255 211 Y CB 0.014 37.684 38.460 -1.315 0.000 0.991 211 Y HN 0.486 nan 8.280 nan 0.000 0.552 212 R N -0.953 119.331 120.500 -0.361 0.000 2.235 212 R HA -0.047 4.294 4.340 0.001 0.000 0.213 212 R C 0.155 176.053 176.300 -0.670 0.000 1.059 212 R CA 0.852 56.620 56.100 -0.553 0.000 0.997 212 R CB -0.314 29.398 30.300 -0.979 0.000 0.884 212 R HN 0.279 nan 8.270 nan 0.000 0.462 213 F N 1.019 120.970 119.950 0.001 0.000 2.923 213 F HA 0.334 4.862 4.527 0.001 0.000 0.314 213 F C 0.378 176.247 175.800 0.115 0.000 1.196 213 F CA -0.742 57.272 58.000 0.022 0.000 1.320 213 F CB 0.343 39.334 39.000 -0.015 0.000 0.953 213 F HN -0.116 nan 8.300 nan 0.000 0.505 214 M N -2.101 117.694 119.600 0.325 0.000 2.531 214 M HA 0.627 5.108 4.480 0.001 0.000 0.286 214 M C -1.752 174.916 176.300 0.613 0.000 1.232 214 M CA -0.831 54.705 55.300 0.394 0.000 0.877 214 M CB 2.282 35.080 32.600 0.329 0.000 1.726 214 M HN -0.294 nan 8.290 nan 0.000 0.463 215 D N 0.815 121.563 120.400 0.581 0.000 2.451 215 D HA 0.789 5.430 4.640 0.001 0.000 0.259 215 D C -0.318 176.397 176.300 0.691 0.000 1.201 215 D CA 0.164 54.579 54.000 0.692 0.000 1.028 215 D CB 1.586 42.757 40.800 0.619 0.000 1.095 215 D HN 0.886 nan 8.370 nan 0.000 0.539 216 G N -0.143 108.994 108.800 0.562 0.000 2.571 216 G HA2 0.542 4.503 3.960 0.001 0.000 0.304 216 G HA3 0.542 4.503 3.960 0.001 0.000 0.304 216 G C -0.988 174.078 174.900 0.277 0.000 1.314 216 G CA -0.556 44.713 45.100 0.282 0.000 0.975 216 G HN 0.338 nan 8.290 nan 0.000 0.485 217 N N -0.302 118.507 118.700 0.182 0.000 2.277 217 N HA 0.328 5.069 4.740 0.001 0.000 0.286 217 N C 0.854 176.397 175.510 0.055 0.000 1.140 217 N CA -0.230 52.900 53.050 0.134 0.000 0.799 217 N CB 2.443 41.011 38.487 0.135 0.000 1.596 217 N HN 0.594 nan 8.380 nan 0.000 0.473 218 G N 0.017 108.854 108.800 0.063 0.000 2.511 218 G HA2 0.088 4.049 3.960 0.001 0.000 0.217 218 G HA3 0.088 4.049 3.960 0.001 0.000 0.217 218 G C 1.030 175.942 174.900 0.020 0.000 1.133 218 G CA 1.002 46.173 45.100 0.118 0.000 0.792 218 G HN 0.465 nan 8.290 nan 0.000 0.539 219 V N -0.120 119.748 119.914 -0.076 0.000 0.582 219 V HA -0.313 3.808 4.120 0.001 0.000 0.092 219 V C 1.077 177.000 176.094 -0.285 0.000 1.874 219 V CA 1.983 64.141 62.300 -0.236 0.000 3.418 219 V CB -1.550 30.033 31.823 -0.401 0.000 0.707 219 V HN 0.614 nan 8.190 nan 0.000 0.732 220 H N 0.586 119.636 119.070 -0.032 0.000 2.660 220 H HA 0.652 5.209 4.556 0.002 0.000 0.374 220 H C 0.473 175.735 175.328 -0.110 0.000 1.291 220 H CA 0.270 56.247 56.048 -0.119 0.000 1.437 220 H CB 0.525 30.126 29.762 -0.270 0.000 1.509 220 H HN 0.840 nan 8.280 nan 0.000 0.614 221 A N 1.774 124.612 122.820 0.029 0.000 2.366 221 A HA 0.360 4.681 4.320 0.001 0.000 0.272 221 A C -0.859 176.784 177.584 0.099 0.000 1.135 221 A CA -0.242 51.845 52.037 0.085 0.000 0.804 221 A CB -0.235 18.949 19.000 0.306 0.000 1.064 221 A HN 0.527 nan 8.150 nan 0.000 0.499 222 Y N 0.753 121.151 120.300 0.163 0.000 2.488 222 Y HA 0.456 5.007 4.550 0.001 0.000 0.325 222 Y C 0.701 176.636 175.900 0.058 0.000 1.204 222 Y CA -0.291 57.908 58.100 0.166 0.000 1.229 222 Y CB 1.559 40.199 38.460 0.300 0.000 1.274 222 Y HN 0.623 nan 8.280 nan 0.000 0.493 223 K N 3.209 123.680 120.400 0.119 0.000 2.292 223 K HA 0.419 4.740 4.320 0.001 0.000 0.270 223 K C -1.527 175.040 176.600 -0.054 0.000 1.062 223 K CA -0.212 55.989 56.287 -0.143 0.000 0.916 223 K CB 0.128 32.492 32.500 -0.227 0.000 1.166 223 K HN 0.639 nan 8.250 nan 0.000 0.458 224 L N 4.487 125.673 121.223 -0.061 0.000 2.326 224 L HA 0.410 4.751 4.340 0.001 0.000 0.278 224 L C -0.116 176.738 176.870 -0.027 0.000 1.092 224 L CA -0.937 53.882 54.840 -0.034 0.000 0.810 224 L CB 1.493 43.511 42.059 -0.067 0.000 1.153 224 L HN 0.373 nan 8.230 nan 0.000 0.439 225 V N 3.210 123.114 119.914 -0.017 0.000 2.531 225 V HA 0.451 4.571 4.120 0.001 0.000 0.301 225 V C -0.394 175.704 176.094 0.007 0.000 1.034 225 V CA -0.626 61.671 62.300 -0.005 0.000 0.865 225 V CB 1.739 33.553 31.823 -0.014 0.000 0.995 225 V HN 0.939 nan 8.190 nan 0.000 0.424 226 N N 6.036 124.750 118.700 0.023 0.000 2.418 226 N HA 0.530 5.271 4.740 0.001 0.000 0.283 226 N C 0.987 176.503 175.510 0.010 0.000 1.267 226 N CA 0.013 53.074 53.050 0.018 0.000 0.975 226 N CB 1.140 39.645 38.487 0.029 0.000 1.167 226 N HN 0.771 nan 8.380 nan 0.000 0.581 227 A N -0.754 122.070 122.820 0.007 0.000 2.121 227 A HA -0.074 4.247 4.320 0.001 0.000 0.218 227 A C 1.444 179.030 177.584 0.003 0.000 1.154 227 A CA 0.896 52.934 52.037 0.002 0.000 0.679 227 A CB -0.564 18.437 19.000 0.000 0.000 0.795 227 A HN 0.697 nan 8.150 nan 0.000 0.458 228 K N -1.238 119.166 120.400 0.008 0.000 2.444 228 K HA 0.225 4.546 4.320 0.001 0.000 0.193 228 K C 1.046 177.650 176.600 0.006 0.000 1.024 228 K CA 0.472 56.763 56.287 0.007 0.000 1.077 228 K CB 0.053 32.560 32.500 0.011 0.000 0.833 228 K HN 0.602 nan 8.250 nan 0.000 0.517 229 G N 2.019 110.823 108.800 0.006 0.000 2.176 229 G HA2 -0.274 3.686 3.960 0.001 0.000 0.253 229 G HA3 -0.274 3.686 3.960 0.001 0.000 0.253 229 G C -0.325 174.575 174.900 -0.001 0.000 0.979 229 G CA -0.072 45.031 45.100 0.004 0.000 0.641 229 G HN 0.401 nan 8.290 nan 0.000 0.530 230 E N -0.279 119.922 120.200 0.002 0.000 2.343 230 E HA 0.523 4.874 4.350 0.001 0.000 0.269 230 E C -0.003 176.587 176.600 -0.017 0.000 1.047 230 E CA -0.449 55.944 56.400 -0.012 0.000 0.874 230 E CB 2.097 31.804 29.700 0.011 0.000 1.033 230 E HN 0.101 nan 8.360 nan 0.000 0.409 231 V N 2.651 122.509 119.914 -0.093 0.000 2.667 231 V HA 0.312 4.433 4.120 0.001 0.000 0.308 231 V C -0.889 175.050 176.094 -0.257 0.000 1.048 231 V CA -0.641 61.577 62.300 -0.136 0.000 0.928 231 V CB 1.629 33.336 31.823 -0.192 0.000 1.004 231 V HN 0.651 nan 8.190 nan 0.000 0.444 232 H N 1.713 120.683 119.070 -0.166 0.000 2.768 232 H HA 0.594 5.150 4.556 0.001 0.000 0.371 232 H C -1.509 173.706 175.328 -0.189 0.000 1.151 232 H CA -0.420 55.569 56.048 -0.100 0.000 1.165 232 H CB 1.544 31.277 29.762 -0.049 0.000 1.722 232 H HN 0.534 nan 8.280 nan 0.000 0.543 233 Y N 1.256 121.660 120.300 0.175 0.000 2.326 233 Y HA 0.497 5.048 4.550 0.001 0.000 0.337 233 Y C -0.344 175.722 175.900 0.278 0.000 1.023 233 Y CA -0.500 57.726 58.100 0.210 0.000 1.143 233 Y CB 1.158 39.765 38.460 0.244 0.000 1.183 233 Y HN 0.257 nan 8.280 nan 0.000 0.485 234 V N 4.092 124.153 119.914 0.246 0.000 2.789 234 V HA 0.437 4.558 4.120 0.001 0.000 0.311 234 V C -0.611 175.349 176.094 -0.224 0.000 1.073 234 V CA -1.527 60.771 62.300 -0.003 0.000 0.921 234 V CB 2.220 33.868 31.823 -0.292 0.000 1.009 234 V HN 0.613 nan 8.190 nan 0.000 0.426 235 K N 2.624 122.798 120.400 -0.376 0.000 2.207 235 K HA 0.701 5.022 4.320 0.001 0.000 0.255 235 K C -1.626 174.732 176.600 -0.404 0.000 0.941 235 K CA -0.446 55.586 56.287 -0.425 0.000 0.825 235 K CB 1.916 34.028 32.500 -0.647 0.000 1.119 235 K HN 0.450 nan 8.250 nan 0.000 0.430 236 F N 1.222 121.124 119.950 -0.081 0.000 2.469 236 F HA 0.299 4.827 4.527 0.001 0.000 0.332 236 F C 0.276 176.022 175.800 -0.091 0.000 1.103 236 F CA -0.595 57.327 58.000 -0.129 0.000 0.979 236 F CB 1.443 40.299 39.000 -0.239 0.000 1.137 236 F HN 0.436 nan 8.300 nan 0.000 0.463 237 H N 2.399 121.467 119.070 -0.003 0.000 2.689 237 H HA 0.246 4.802 4.556 0.001 0.000 0.346 237 H C -1.793 173.571 175.328 0.060 0.000 1.037 237 H CA -0.974 55.087 56.048 0.023 0.000 1.234 237 H CB 1.122 30.930 29.762 0.078 0.000 1.572 237 H HN 0.751 nan 8.280 nan 0.000 0.524 238 W N 5.626 126.890 121.300 -0.059 0.000 2.332 238 W HA 0.270 4.931 4.660 0.001 0.000 0.306 238 W C -0.005 176.490 176.519 -0.039 0.000 1.149 238 W CA -0.830 56.490 57.345 -0.041 0.000 1.271 238 W CB 0.979 30.268 29.460 -0.284 0.000 1.243 238 W HN 0.351 nan 8.180 nan 0.000 0.459 239 K N 3.023 123.564 120.400 0.234 0.000 2.253 239 K HA 0.242 4.563 4.320 0.001 0.000 0.277 239 K C 0.296 177.117 176.600 0.368 0.000 1.053 239 K CA -0.371 56.022 56.287 0.178 0.000 0.892 239 K CB 0.999 33.577 32.500 0.130 0.000 1.102 239 K HN 0.332 nan 8.250 nan 0.000 0.469 240 S N 4.630 120.517 115.700 0.312 0.000 2.525 240 S HA 0.068 4.539 4.470 0.001 0.000 0.285 240 S C 1.118 175.646 174.600 -0.119 0.000 1.283 240 S CA -0.440 57.674 58.200 -0.143 0.000 1.072 240 S CB 0.202 63.406 63.200 0.006 0.000 0.867 240 S HN 0.664 nan 8.310 nan 0.000 0.492 241 L N 4.215 125.283 121.223 -0.258 0.000 2.599 241 L HA 0.068 4.409 4.340 0.001 0.000 0.230 241 L C 1.611 178.406 176.870 -0.125 0.000 1.141 241 L CA 0.235 55.008 54.840 -0.113 0.000 0.877 241 L CB -0.283 41.727 42.059 -0.082 0.000 1.009 241 L HN 0.597 nan 8.230 nan 0.000 0.447 242 Q N 0.184 119.863 119.800 -0.202 0.000 2.392 242 Q HA 0.291 4.632 4.340 0.001 0.000 0.203 242 Q C 1.018 177.098 176.000 0.134 0.000 0.917 242 Q CA 0.550 56.311 55.803 -0.069 0.000 0.939 242 Q CB 0.599 29.175 28.738 -0.271 0.000 1.063 242 Q HN 0.398 nan 8.270 nan 0.000 0.516 243 G N 0.254 109.117 108.800 0.104 0.000 2.728 243 G HA2 -0.172 3.789 3.960 0.001 0.000 0.294 243 G HA3 -0.172 3.789 3.960 0.001 0.000 0.294 243 G C -0.977 174.057 174.900 0.224 0.000 1.342 243 G CA -0.804 44.385 45.100 0.149 0.000 0.866 243 G HN 0.049 nan 8.290 nan 0.000 0.534 244 I N 0.853 121.533 120.570 0.183 0.000 2.359 244 I HA 0.503 4.674 4.170 0.001 0.000 0.294 244 I C 0.458 176.649 176.117 0.123 0.000 0.987 244 I CA -0.344 61.075 61.300 0.199 0.000 1.225 244 I CB 1.302 39.408 38.000 0.178 0.000 1.366 244 I HN 0.502 nan 8.210 nan 0.000 0.466 245 K N 5.572 126.044 120.400 0.121 0.000 2.578 245 K HA 0.459 4.780 4.320 0.001 0.000 0.250 245 K C -0.959 175.646 176.600 0.008 0.000 0.955 245 K CA -0.787 55.474 56.287 -0.043 0.000 0.825 245 K CB 2.262 34.550 32.500 -0.352 0.000 1.151 245 K HN 0.431 nan 8.250 nan 0.000 0.432 246 N N 2.270 120.969 118.700 -0.001 0.000 2.402 246 N HA 0.500 5.241 4.740 0.001 0.000 0.294 246 N C -0.648 174.851 175.510 -0.018 0.000 1.203 246 N CA -0.658 52.402 53.050 0.016 0.000 0.838 246 N CB 1.464 39.973 38.487 0.037 0.000 1.306 246 N HN 0.302 nan 8.380 nan 0.000 0.510 247 L N 0.825 122.044 121.223 -0.008 0.000 2.343 247 L HA 0.327 4.667 4.340 0.001 0.000 0.275 247 L C 0.330 177.191 176.870 -0.015 0.000 1.056 247 L CA -0.957 53.864 54.840 -0.032 0.000 0.804 247 L CB 0.857 42.881 42.059 -0.058 0.000 1.203 247 L HN 0.604 nan 8.230 nan 0.000 0.440 248 D N 1.629 122.015 120.400 -0.023 0.000 2.388 248 D HA 0.291 4.932 4.640 0.001 0.000 0.254 248 D C -2.226 174.074 176.300 -0.000 0.000 1.111 248 D CA -2.237 51.758 54.000 -0.009 0.000 0.993 248 D CB 0.652 41.443 40.800 -0.016 0.000 1.118 248 D HN 0.093 nan 8.370 nan 0.000 0.502 249 P HA -0.116 nan 4.420 nan 0.000 0.218 249 P C 0.961 178.268 177.300 0.012 0.000 1.148 249 P CA 1.575 64.692 63.100 0.028 0.000 0.822 249 P CB 0.165 31.896 31.700 0.052 0.000 0.784 250 K N -0.363 120.039 120.400 0.003 0.000 2.155 250 K HA -0.091 4.230 4.320 0.001 0.000 0.203 250 K C 2.006 178.593 176.600 -0.021 0.000 1.052 250 K CA 1.069 57.352 56.287 -0.005 0.000 0.948 250 K CB -0.147 32.351 32.500 -0.004 0.000 0.728 250 K HN 0.216 nan 8.250 nan 0.000 0.448 251 E N 0.219 120.399 120.200 -0.032 0.000 2.107 251 E HA -0.128 4.223 4.350 0.001 0.000 0.191 251 E C 1.926 178.480 176.600 -0.077 0.000 0.982 251 E CA 0.803 57.170 56.400 -0.055 0.000 0.809 251 E CB 0.118 29.780 29.700 -0.063 0.000 0.756 251 E HN 0.000 nan 8.360 nan 0.000 0.459 252 V N 1.529 121.406 119.914 -0.061 0.000 2.287 252 V HA -0.316 3.805 4.120 0.001 0.000 0.248 252 V C 2.349 178.406 176.094 -0.062 0.000 1.053 252 V CA 2.020 64.275 62.300 -0.074 0.000 1.027 252 V CB -0.727 31.082 31.823 -0.024 0.000 0.646 252 V HN 0.343 nan 8.190 nan 0.000 0.447 253 A N -0.872 121.929 122.820 -0.031 0.000 1.933 253 A HA -0.314 4.006 4.320 0.001 0.000 0.218 253 A C 2.250 179.816 177.584 -0.029 0.000 1.175 253 A CA 2.172 54.197 52.037 -0.020 0.000 0.628 253 A CB -0.548 18.450 19.000 -0.004 0.000 0.814 253 A HN 0.638 nan 8.150 nan 0.000 0.444 254 Q N -0.273 119.504 119.800 -0.039 0.000 2.050 254 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 254 Q C 1.936 177.903 176.000 -0.055 0.000 0.980 254 Q CA 2.094 57.873 55.803 -0.041 0.000 0.840 254 Q CB -0.232 28.480 28.738 -0.042 0.000 0.898 254 Q HN 0.382 nan 8.270 nan 0.000 0.424 255 V N 0.925 120.782 119.914 -0.095 0.000 2.261 255 V HA -0.291 3.830 4.120 0.001 0.000 0.246 255 V C 2.403 178.448 176.094 -0.082 0.000 1.047 255 V CA 2.251 64.473 62.300 -0.130 0.000 1.015 255 V CB -0.773 30.878 31.823 -0.286 0.000 0.642 255 V HN 0.506 nan 8.190 nan 0.000 0.446 256 Q N 0.383 120.143 119.800 -0.067 0.000 2.234 256 Q HA -0.233 4.108 4.340 0.001 0.000 0.206 256 Q C 2.348 178.359 176.000 0.018 0.000 0.980 256 Q CA 1.968 57.769 55.803 -0.005 0.000 0.869 256 Q CB -0.178 28.562 28.738 0.003 0.000 0.912 256 Q HN 0.826 nan 8.270 nan 0.000 0.436 257 S N 0.003 115.703 115.700 0.000 0.000 2.399 257 S HA -0.139 4.332 4.470 0.001 0.000 0.231 257 S C 1.391 176.004 174.600 0.021 0.000 1.022 257 S CA 1.236 59.441 58.200 0.008 0.000 0.983 257 S CB -0.026 63.172 63.200 -0.002 0.000 0.803 257 S HN 0.393 nan 8.310 nan 0.000 0.480 258 K N -0.133 120.280 120.400 0.021 0.000 2.450 258 K HA 0.306 4.627 4.320 0.001 0.000 0.206 258 K C -0.644 175.988 176.600 0.053 0.000 1.148 258 K CA 0.046 56.353 56.287 0.033 0.000 1.014 258 K CB 0.397 32.903 32.500 0.011 0.000 0.966 258 K HN 0.306 nan 8.250 nan 0.000 0.566 259 D N 0.668 121.101 120.400 0.054 0.000 2.575 259 D HA 0.095 4.736 4.640 0.001 0.000 0.250 259 D C -0.343 176.011 176.300 0.090 0.000 1.279 259 D CA -0.706 53.316 54.000 0.038 0.000 0.925 259 D CB 0.783 41.586 40.800 0.004 0.000 1.261 259 D HN 0.139 nan 8.370 nan 0.000 0.567 260 Y N 1.225 121.545 120.300 0.033 0.000 2.493 260 Y HA 0.483 5.034 4.550 0.001 0.000 0.275 260 Y C 0.059 176.005 175.900 0.077 0.000 1.183 260 Y CA -0.493 57.639 58.100 0.052 0.000 1.258 260 Y CB 0.498 38.973 38.460 0.025 0.000 1.108 260 Y HN 0.096 nan 8.280 nan 0.000 0.521 261 S N 1.464 116.964 115.700 -0.333 0.000 2.665 261 S HA 0.037 4.507 4.470 0.001 0.000 0.235 261 S C 0.911 175.428 174.600 -0.139 0.000 1.084 261 S CA -0.521 57.517 58.200 -0.269 0.000 1.151 261 S CB -0.670 62.270 63.200 -0.433 0.000 1.151 261 S HN 0.736 nan 8.310 nan 0.000 0.461 262 H N 1.195 120.184 119.070 -0.134 0.000 2.423 262 H HA 0.107 4.664 4.556 0.001 0.000 0.297 262 H C 1.366 176.607 175.328 -0.144 0.000 1.075 262 H CA 0.857 56.834 56.048 -0.118 0.000 1.342 262 H CB -0.304 29.401 29.762 -0.095 0.000 1.395 262 H HN 0.428 nan 8.280 nan 0.000 0.530 263 L N 0.722 121.436 121.223 -0.849 0.000 2.072 263 L HA -0.080 4.261 4.340 0.001 0.000 0.205 263 L C 2.710 179.391 176.870 -0.315 0.000 1.079 263 L CA 1.478 55.840 54.840 -0.798 0.000 0.752 263 L CB -0.607 40.689 42.059 -1.272 0.000 0.906 263 L HN 0.219 nan 8.230 nan 0.000 0.436 264 T N -0.570 113.900 114.554 -0.140 0.000 2.737 264 T HA -0.112 4.238 4.350 0.001 0.000 0.265 264 T C 1.805 176.491 174.700 -0.023 0.000 1.038 264 T CA 1.140 63.247 62.100 0.012 0.000 1.144 264 T CB -0.220 68.668 68.868 0.034 0.000 0.866 264 T HN 0.262 nan 8.240 nan 0.000 0.434 265 N N 1.165 119.825 118.700 -0.067 0.000 2.069 265 N HA -0.142 4.599 4.740 0.001 0.000 0.191 265 N C 1.775 177.270 175.510 -0.025 0.000 1.031 265 N CA 1.610 54.634 53.050 -0.044 0.000 0.852 265 N CB -0.497 37.962 38.487 -0.046 0.000 1.018 265 N HN 0.518 nan 8.380 nan 0.000 0.423 266 D N 0.272 120.646 120.400 -0.042 0.000 2.104 266 D HA -0.147 4.494 4.640 0.001 0.000 0.194 266 D C 2.052 178.339 176.300 -0.022 0.000 0.994 266 D CA 0.779 54.768 54.000 -0.018 0.000 0.830 266 D CB -0.061 40.728 40.800 -0.018 0.000 0.959 266 D HN 0.088 nan 8.370 nan 0.000 0.452 267 L N -0.107 121.099 121.223 -0.028 0.000 2.044 267 L HA -0.016 4.325 4.340 0.001 0.000 0.205 267 L C 2.268 179.154 176.870 0.027 0.000 1.075 267 L CA 1.254 56.090 54.840 -0.005 0.000 0.747 267 L CB -0.607 41.472 42.059 0.033 0.000 0.903 267 L HN 0.057 nan 8.230 nan 0.000 0.435 268 V N 0.378 120.315 119.914 0.037 0.000 2.295 268 V HA -0.218 3.903 4.120 0.001 0.000 0.246 268 V C 2.627 178.743 176.094 0.036 0.000 1.049 268 V CA 1.846 64.173 62.300 0.045 0.000 1.024 268 V CB -1.689 30.161 31.823 0.046 0.000 0.648 268 V HN 0.640 nan 8.190 nan 0.000 0.447 269 G N -0.454 108.358 108.800 0.020 0.000 2.421 269 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 269 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 269 G C 1.794 176.699 174.900 0.009 0.000 1.171 269 G CA 1.131 46.238 45.100 0.012 0.000 0.775 269 G HN 0.613 nan 8.290 nan 0.000 0.543 270 A N 0.853 123.677 122.820 0.006 0.000 1.883 270 A HA -0.023 4.298 4.320 0.001 0.000 0.217 270 A C 2.421 180.010 177.584 0.008 0.000 1.186 270 A CA 1.494 53.525 52.037 -0.010 0.000 0.624 270 A CB -0.435 18.549 19.000 -0.027 0.000 0.822 270 A HN 0.381 nan 8.150 nan 0.000 0.444 271 I N -0.694 119.928 120.570 0.087 0.000 2.286 271 I HA -0.259 3.912 4.170 0.001 0.000 0.248 271 I C 2.387 178.610 176.117 0.176 0.000 1.115 271 I CA 1.501 62.936 61.300 0.225 0.000 1.392 271 I CB -0.251 37.874 38.000 0.209 0.000 1.065 271 I HN 0.311 nan 8.210 nan 0.000 0.418 272 K N 0.572 121.023 120.400 0.084 0.000 2.147 272 K HA -0.130 4.191 4.320 0.001 0.000 0.205 272 K C 1.665 178.271 176.600 0.011 0.000 1.049 272 K CA 0.886 57.207 56.287 0.057 0.000 0.936 272 K CB 0.039 32.560 32.500 0.035 0.000 0.722 272 K HN 0.085 nan 8.250 nan 0.000 0.446 273 K N -0.438 119.943 120.400 -0.033 0.000 2.487 273 K HA 0.061 4.382 4.320 0.001 0.000 0.192 273 K C 0.969 177.458 176.600 -0.184 0.000 1.027 273 K CA 0.685 56.924 56.287 -0.081 0.000 1.054 273 K CB 0.409 32.866 32.500 -0.072 0.000 0.824 273 K HN 0.376 nan 8.250 nan 0.000 0.510 274 G N 2.132 110.746 108.800 -0.309 0.000 2.143 274 G HA2 -0.253 3.708 3.960 0.001 0.000 0.248 274 G HA3 -0.253 3.708 3.960 0.001 0.000 0.248 274 G C -0.235 174.027 174.900 -1.063 0.000 0.991 274 G CA 0.308 44.924 45.100 -0.805 0.000 0.689 274 G HN 0.339 nan 8.290 nan 0.000 0.522 275 D N 0.551 120.600 120.400 -0.585 0.000 2.631 275 D HA 0.407 5.048 4.640 0.001 0.000 0.227 275 D C 0.587 176.749 176.300 -0.229 0.000 1.146 275 D CA -0.707 53.074 54.000 -0.366 0.000 1.009 275 D CB -0.869 39.823 40.800 -0.179 0.000 1.057 275 D HN 0.292 nan 8.370 nan 0.000 0.509 276 F N 3.079 122.999 119.950 -0.050 0.000 2.506 276 F HA 0.223 4.751 4.527 0.002 0.000 0.371 276 F C -1.255 174.487 175.800 -0.097 0.000 1.078 276 F CA -1.880 56.089 58.000 -0.053 0.000 1.195 276 F CB 0.492 39.476 39.000 -0.025 0.000 1.099 276 F HN 0.159 nan 8.300 nan 0.000 0.548 277 P HA 0.267 nan 4.420 nan 0.000 0.278 277 P C -1.231 175.964 177.300 -0.174 0.000 1.238 277 P CA -0.551 62.414 63.100 -0.225 0.000 0.794 277 P CB 1.391 32.875 31.700 -0.360 0.000 0.955 278 K N 1.323 121.471 120.400 -0.421 0.000 2.477 278 K HA 0.577 4.898 4.320 0.001 0.000 0.255 278 K C -1.071 175.322 176.600 -0.345 0.000 0.952 278 K CA -0.485 55.715 56.287 -0.143 0.000 0.826 278 K CB 2.384 34.869 32.500 -0.026 0.000 1.331 278 K HN 0.511 nan 8.250 nan 0.000 0.437 279 W N 1.376 122.773 121.300 0.163 0.000 2.957 279 W HA 0.230 4.891 4.660 0.002 0.000 0.336 279 W C -0.879 175.883 176.519 0.404 0.000 1.087 279 W CA -0.698 56.817 57.345 0.283 0.000 1.235 279 W CB 2.102 31.767 29.460 0.343 0.000 1.399 279 W HN 0.445 nan 8.180 nan 0.000 0.480 280 D N 2.189 122.922 120.400 0.556 0.000 2.256 280 D HA 0.284 4.925 4.640 0.001 0.000 0.250 280 D C -0.549 176.032 176.300 0.469 0.000 1.093 280 D CA -0.297 53.955 54.000 0.419 0.000 0.882 280 D CB 2.022 42.983 40.800 0.269 0.000 1.185 280 D HN 0.064 nan 8.370 nan 0.000 0.437 281 L N 3.845 125.258 121.223 0.316 0.000 2.276 281 L HA 0.336 4.677 4.340 0.001 0.000 0.286 281 L C -1.461 175.379 176.870 -0.050 0.000 1.061 281 L CA -0.215 54.667 54.840 0.070 0.000 0.807 281 L CB 0.301 42.322 42.059 -0.064 0.000 1.177 281 L HN 0.231 nan 8.230 nan 0.000 0.429 282 Y N 3.573 123.877 120.300 0.007 0.000 2.524 282 Y HA 0.696 5.247 4.550 0.001 0.000 0.344 282 Y C -0.162 175.743 175.900 0.007 0.000 1.012 282 Y CA -0.805 57.326 58.100 0.052 0.000 1.068 282 Y CB 2.161 40.694 38.460 0.122 0.000 1.249 282 Y HN 0.486 nan 8.280 nan 0.000 0.468 283 V N -0.370 119.611 119.914 0.111 0.000 2.769 283 V HA 0.670 4.791 4.120 0.001 0.000 0.312 283 V C -1.054 175.043 176.094 0.005 0.000 1.061 283 V CA -1.030 61.218 62.300 -0.086 0.000 0.931 283 V CB 1.820 33.474 31.823 -0.282 0.000 1.010 283 V HN 0.787 nan 8.190 nan 0.000 0.433 284 Q N 2.053 121.846 119.800 -0.012 0.000 2.337 284 Q HA 0.792 5.133 4.340 0.001 0.000 0.266 284 Q C -1.358 174.775 176.000 0.222 0.000 1.023 284 Q CA -0.777 55.111 55.803 0.142 0.000 0.829 284 Q CB 2.716 31.611 28.738 0.262 0.000 1.306 284 Q HN 0.759 nan 8.270 nan 0.000 0.449 285 V N 3.895 123.939 119.914 0.217 0.000 2.540 285 V HA 0.544 4.665 4.120 0.001 0.000 0.302 285 V C -0.571 175.640 176.094 0.195 0.000 1.035 285 V CA -0.678 61.747 62.300 0.208 0.000 0.873 285 V CB 1.592 33.453 31.823 0.063 0.000 0.992 285 V HN 0.623 nan 8.190 nan 0.000 0.428 286 L N 3.763 125.110 121.223 0.208 0.000 2.370 286 L HA 0.614 4.955 4.340 0.001 0.000 0.266 286 L C -0.068 176.915 176.870 0.188 0.000 1.002 286 L CA -0.840 54.051 54.840 0.085 0.000 0.818 286 L CB 2.423 44.370 42.059 -0.187 0.000 1.325 286 L HN 0.520 nan 8.230 nan 0.000 0.418 287 K N 1.857 122.317 120.400 0.100 0.000 2.126 287 K HA 0.256 4.576 4.320 0.001 0.000 0.257 287 K C -1.745 174.894 176.600 0.064 0.000 1.007 287 K CA -1.541 54.742 56.287 -0.007 0.000 0.928 287 K CB 0.999 33.468 32.500 -0.051 0.000 1.013 287 K HN 0.214 nan 8.250 nan 0.000 0.473 288 P HA -0.247 nan 4.420 nan 0.000 0.216 288 P C 0.967 178.273 177.300 0.010 0.000 1.150 288 P CA 1.282 64.469 63.100 0.145 0.000 0.837 288 P CB 0.154 31.948 31.700 0.156 0.000 0.786 289 E N 0.835 121.025 120.200 -0.017 0.000 2.418 289 E HA -0.188 4.163 4.350 0.001 0.000 0.197 289 E C 1.087 177.648 176.600 -0.065 0.000 1.026 289 E CA 1.104 57.478 56.400 -0.043 0.000 0.862 289 E CB -0.570 29.104 29.700 -0.044 0.000 0.799 289 E HN 0.383 nan 8.360 nan 0.000 0.518 290 E N 0.849 121.017 120.200 -0.053 0.000 2.371 290 E HA 0.056 4.407 4.350 0.001 0.000 0.194 290 E C 2.256 178.840 176.600 -0.026 0.000 1.012 290 E CA 0.083 56.441 56.400 -0.070 0.000 0.860 290 E CB -0.033 29.658 29.700 -0.015 0.000 0.811 290 E HN 0.251 nan 8.360 nan 0.000 0.502 291 L N 0.968 122.159 121.223 -0.053 0.000 2.013 291 L HA -0.198 4.143 4.340 0.001 0.000 0.212 291 L C 2.536 179.379 176.870 -0.044 0.000 1.073 291 L CA 1.344 56.139 54.840 -0.075 0.000 0.753 291 L CB -0.607 41.325 42.059 -0.212 0.000 0.890 291 L HN 0.165 nan 8.230 nan 0.000 0.432 292 A N -0.329 122.439 122.820 -0.087 0.000 2.209 292 A HA -0.111 4.210 4.320 0.001 0.000 0.212 292 A C 2.161 179.659 177.584 -0.143 0.000 1.158 292 A CA 0.914 52.894 52.037 -0.096 0.000 0.742 292 A CB -0.299 18.649 19.000 -0.086 0.000 0.790 292 A HN 0.370 nan 8.150 nan 0.000 0.472 293 K N -1.110 119.144 120.400 -0.244 0.000 2.296 293 K HA 0.092 4.413 4.320 0.001 0.000 0.200 293 K C -0.377 175.939 176.600 -0.474 0.000 1.048 293 K CA 0.179 56.229 56.287 -0.394 0.000 0.966 293 K CB -0.046 32.119 32.500 -0.558 0.000 0.754 293 K HN 0.491 nan 8.250 nan 0.000 0.466 294 F N 1.508 121.264 119.950 -0.323 0.000 2.403 294 F HA -0.011 4.517 4.527 0.001 0.000 0.320 294 F C 1.404 177.006 175.800 -0.330 0.000 1.176 294 F CA -0.219 57.520 58.000 -0.435 0.000 1.206 294 F CB 0.411 38.890 39.000 -0.868 0.000 1.235 294 F HN -0.115 nan 8.300 nan 0.000 0.565 295 D N 0.033 120.409 120.400 -0.040 0.000 2.348 295 D HA 0.036 4.677 4.640 0.001 0.000 0.211 295 D C -0.117 176.262 176.300 0.130 0.000 0.998 295 D CA 0.725 54.759 54.000 0.057 0.000 0.873 295 D CB -0.101 40.780 40.800 0.136 0.000 0.925 295 D HN 0.259 nan 8.370 nan 0.000 0.524 296 F N -0.858 119.149 119.950 0.094 0.000 2.639 296 F HA 0.519 5.047 4.527 0.001 0.000 0.339 296 F C -0.089 175.741 175.800 0.051 0.000 1.071 296 F CA -1.554 56.478 58.000 0.052 0.000 0.994 296 F CB 0.728 39.749 39.000 0.036 0.000 1.341 296 F HN -0.407 nan 8.300 nan 0.000 0.498 297 D N 1.307 121.824 120.400 0.195 0.000 2.313 297 D HA 0.323 4.964 4.640 0.001 0.000 0.239 297 D C -2.010 174.396 176.300 0.177 0.000 1.142 297 D CA -2.356 51.687 54.000 0.072 0.000 0.847 297 D CB 1.793 42.650 40.800 0.095 0.000 1.082 297 D HN 0.207 nan 8.370 nan 0.000 0.480 298 P HA 0.002 nan 4.420 nan 0.000 0.225 298 P C 0.912 178.453 177.300 0.402 0.000 1.148 298 P CA 0.743 63.966 63.100 0.204 0.000 0.779 298 P CB 0.239 31.761 31.700 -0.297 0.000 0.780 299 L N -1.293 120.040 121.223 0.182 0.000 2.685 299 L HA 0.188 4.529 4.340 0.001 0.000 0.233 299 L C 0.596 177.558 176.870 0.153 0.000 1.173 299 L CA -0.215 54.718 54.840 0.155 0.000 0.961 299 L CB -0.387 41.700 42.059 0.046 0.000 1.217 299 L HN -0.090 nan 8.230 nan 0.000 0.478 300 D N 1.017 121.529 120.400 0.188 0.000 2.325 300 D HA 0.183 4.824 4.640 0.001 0.000 0.251 300 D C 1.014 177.405 176.300 0.152 0.000 1.196 300 D CA -0.069 54.029 54.000 0.162 0.000 0.866 300 D CB 1.955 42.856 40.800 0.169 0.000 1.101 300 D HN 0.131 nan 8.370 nan 0.000 0.476 301 A N 3.018 125.935 122.820 0.163 0.000 2.248 301 A HA -0.069 4.252 4.320 0.001 0.000 0.210 301 A C 1.634 179.289 177.584 0.117 0.000 1.174 301 A CA 1.344 53.468 52.037 0.145 0.000 0.750 301 A CB -0.554 18.585 19.000 0.232 0.000 0.780 301 A HN 0.632 nan 8.150 nan 0.000 0.478 302 T N -3.326 111.289 114.554 0.101 0.000 3.163 302 T HA 0.261 4.612 4.350 0.001 0.000 0.252 302 T C 0.359 175.042 174.700 -0.028 0.000 1.056 302 T CA -0.197 61.932 62.100 0.048 0.000 0.947 302 T CB 0.055 68.948 68.868 0.042 0.000 1.016 302 T HN 0.097 nan 8.240 nan 0.000 0.554 303 K N 1.928 122.309 120.400 -0.032 0.000 2.371 303 K HA 0.550 4.870 4.320 0.001 0.000 0.251 303 K C 0.082 176.607 176.600 -0.124 0.000 0.934 303 K CA -0.912 55.300 56.287 -0.125 0.000 0.798 303 K CB 2.720 35.154 32.500 -0.110 0.000 1.204 303 K HN 0.435 nan 8.250 nan 0.000 0.427 304 I N -2.458 118.011 120.570 -0.169 0.000 3.110 304 I HA 0.466 4.636 4.170 0.001 0.000 0.314 304 I C -0.571 175.567 176.117 0.036 0.000 1.020 304 I CA -0.611 60.610 61.300 -0.131 0.000 1.169 304 I CB 0.752 38.683 38.000 -0.116 0.000 1.437 304 I HN 0.309 nan 8.210 nan 0.000 0.595 305 W N 3.045 124.283 121.300 -0.104 0.000 2.309 305 W HA 0.425 5.086 4.660 0.001 0.000 0.332 305 W C -2.069 174.431 176.519 -0.033 0.000 0.962 305 W CA -2.445 54.876 57.345 -0.039 0.000 1.497 305 W CB -0.059 29.377 29.460 -0.041 0.000 1.308 305 W HN 0.465 nan 8.180 nan 0.000 0.384 306 P HA -0.127 nan 4.420 nan 0.000 0.217 306 P C 0.544 177.913 177.300 0.114 0.000 1.150 306 P CA 1.794 64.949 63.100 0.092 0.000 0.832 306 P CB 0.570 32.303 31.700 0.054 0.000 0.787 307 D N -1.220 119.270 120.400 0.150 0.000 2.462 307 D HA 0.116 4.757 4.640 0.001 0.000 0.221 307 D C -0.202 176.175 176.300 0.128 0.000 1.173 307 D CA 0.010 54.085 54.000 0.126 0.000 0.831 307 D CB 1.090 41.968 40.800 0.130 0.000 1.001 307 D HN 0.018 nan 8.370 nan 0.000 0.499 308 V N 3.770 123.775 119.914 0.151 0.000 2.406 308 V HA 0.183 4.304 4.120 0.001 0.000 0.272 308 V C -1.860 174.318 176.094 0.140 0.000 1.043 308 V CA -1.394 60.995 62.300 0.148 0.000 0.915 308 V CB 1.228 33.163 31.823 0.188 0.000 0.988 308 V HN -0.020 nan 8.190 nan 0.000 0.466 309 P HA 0.160 nan 4.420 nan 0.000 0.268 309 P C -0.385 176.986 177.300 0.119 0.000 1.208 309 P CA -0.084 63.076 63.100 0.100 0.000 0.777 309 P CB 0.810 32.561 31.700 0.085 0.000 0.875 310 E N 0.799 121.073 120.200 0.123 0.000 2.214 310 E HA 0.398 4.749 4.350 0.001 0.000 0.274 310 E C -0.271 176.479 176.600 0.249 0.000 0.977 310 E CA -0.862 55.647 56.400 0.182 0.000 0.827 310 E CB 1.711 31.502 29.700 0.152 0.000 1.130 310 E HN 0.328 nan 8.360 nan 0.000 0.394 311 K N 2.321 122.878 120.400 0.262 0.000 2.397 311 K HA 0.243 4.564 4.320 0.001 0.000 0.253 311 K C -1.077 175.573 176.600 0.084 0.000 0.932 311 K CA -0.718 55.673 56.287 0.173 0.000 0.795 311 K CB 1.469 34.002 32.500 0.055 0.000 1.159 311 K HN 0.243 nan 8.250 nan 0.000 0.424 312 K N 4.929 125.267 120.400 -0.103 0.000 2.322 312 K HA 0.182 4.503 4.320 0.001 0.000 0.283 312 K C 0.659 177.140 176.600 -0.199 0.000 1.042 312 K CA -0.158 55.838 56.287 -0.484 0.000 0.958 312 K CB 0.457 32.611 32.500 -0.576 0.000 0.984 312 K HN 0.725 nan 8.250 nan 0.000 0.473 313 I N -0.050 120.438 120.570 -0.137 0.000 4.338 313 I HA 0.457 4.628 4.170 0.001 0.000 0.329 313 I C 0.391 176.581 176.117 0.122 0.000 1.378 313 I CA -0.529 60.778 61.300 0.010 0.000 1.170 313 I CB 1.051 39.070 38.000 0.032 0.000 1.206 313 I HN 0.646 nan 8.210 nan 0.000 0.432 314 G N 1.049 109.905 108.800 0.093 0.000 2.322 314 G HA2 0.383 4.344 3.960 0.001 0.000 0.295 314 G HA3 0.383 4.344 3.960 0.001 0.000 0.295 314 G C -2.286 172.697 174.900 0.138 0.000 1.369 314 G CA -0.542 44.578 45.100 0.032 0.000 0.821 314 G HN 0.246 nan 8.290 nan 0.000 0.536 315 Q N -0.524 119.281 119.800 0.009 0.000 2.284 315 Q HA 0.650 4.991 4.340 0.001 0.000 0.269 315 Q C -1.271 174.907 176.000 0.297 0.000 1.026 315 Q CA -0.760 55.182 55.803 0.231 0.000 0.831 315 Q CB 2.216 31.017 28.738 0.105 0.000 1.322 315 Q HN 0.771 nan 8.270 nan 0.000 0.419 316 M N 4.008 123.924 119.600 0.528 0.000 2.436 316 M HA 0.640 5.121 4.480 0.001 0.000 0.331 316 M C -1.892 174.575 176.300 0.279 0.000 1.135 316 M CA -0.758 54.787 55.300 0.408 0.000 0.987 316 M CB 1.962 34.728 32.600 0.276 0.000 1.687 316 M HN 0.490 nan 8.290 nan 0.000 0.445 317 V N 6.565 126.580 119.914 0.168 0.000 2.588 317 V HA 0.572 4.693 4.120 0.001 0.000 0.304 317 V C -1.402 174.720 176.094 0.045 0.000 1.042 317 V CA -0.688 61.688 62.300 0.127 0.000 0.877 317 V CB 2.079 33.947 31.823 0.075 0.000 0.996 317 V HN 0.890 nan 8.190 nan 0.000 0.425 318 L N 7.332 128.602 121.223 0.078 0.000 2.276 318 L HA 0.586 4.927 4.340 0.001 0.000 0.286 318 L C 0.676 177.461 176.870 -0.143 0.000 1.024 318 L CA -0.185 54.636 54.840 -0.031 0.000 0.826 318 L CB 1.222 43.320 42.059 0.064 0.000 1.211 318 L HN 0.894 nan 8.230 nan 0.000 0.422 319 N N 2.049 120.520 118.700 -0.382 0.000 2.240 319 N HA 0.138 4.879 4.740 0.001 0.000 0.240 319 N C -0.329 174.825 175.510 -0.593 0.000 1.277 319 N CA -0.581 51.901 53.050 -0.948 0.000 0.873 319 N CB 1.130 38.768 38.487 -1.414 0.000 1.222 319 N HN 0.432 nan 8.380 nan 0.000 0.507 320 K N 0.845 121.080 120.400 -0.276 0.000 2.513 320 K HA 0.280 4.601 4.320 0.001 0.000 0.251 320 K C -1.264 175.275 176.600 -0.101 0.000 0.939 320 K CA -0.608 55.585 56.287 -0.157 0.000 0.793 320 K CB 1.575 33.981 32.500 -0.157 0.000 1.241 320 K HN -0.066 nan 8.250 nan 0.000 0.431 321 N N 1.493 120.173 118.700 -0.033 0.000 2.467 321 N HA 0.110 4.851 4.740 0.001 0.000 0.262 321 N C -0.078 175.424 175.510 -0.013 0.000 1.234 321 N CA -0.255 52.785 53.050 -0.016 0.000 0.952 321 N CB 1.079 39.586 38.487 0.032 0.000 1.158 321 N HN 0.444 nan 8.380 nan 0.000 0.463 322 V N -0.981 118.939 119.914 0.010 0.000 3.096 322 V HA 0.114 4.235 4.120 0.001 0.000 0.306 322 V C 0.786 176.926 176.094 0.076 0.000 1.088 322 V CA -0.017 62.318 62.300 0.058 0.000 1.129 322 V CB 0.689 32.577 31.823 0.108 0.000 1.014 322 V HN 0.481 nan 8.190 nan 0.000 0.486 323 D N 0.820 121.265 120.400 0.076 0.000 2.216 323 D HA 0.056 4.697 4.640 0.001 0.000 0.208 323 D C 0.562 176.921 176.300 0.099 0.000 0.960 323 D CA 1.244 55.287 54.000 0.072 0.000 0.861 323 D CB 0.109 40.941 40.800 0.053 0.000 0.985 323 D HN 0.767 nan 8.370 nan 0.000 0.493 324 N N -0.402 118.368 118.700 0.117 0.000 2.478 324 N HA -0.017 4.724 4.740 0.001 0.000 0.291 324 N C -0.125 175.501 175.510 0.193 0.000 1.090 324 N CA -0.348 52.798 53.050 0.160 0.000 0.911 324 N CB 1.211 39.781 38.487 0.138 0.000 1.546 324 N HN -0.209 nan 8.380 nan 0.000 0.500 325 F N 4.088 124.111 119.950 0.122 0.000 2.095 325 F HA -0.135 4.393 4.527 0.001 0.000 0.298 325 F C 1.654 177.526 175.800 0.121 0.000 1.104 325 F CA 1.574 59.647 58.000 0.122 0.000 1.232 325 F CB -0.139 38.938 39.000 0.127 0.000 0.987 325 F HN 0.619 nan 8.300 nan 0.000 0.475 326 F N 1.004 121.058 119.950 0.173 0.000 2.113 326 F HA -0.199 4.329 4.527 0.001 0.000 0.297 326 F C 2.455 178.221 175.800 -0.056 0.000 1.103 326 F CA 1.949 59.982 58.000 0.056 0.000 1.248 326 F CB -0.616 38.440 39.000 0.094 0.000 0.999 326 F HN -0.007 nan 8.300 nan 0.000 0.475 327 Q N -0.243 119.633 119.800 0.127 0.000 2.224 327 Q HA -0.151 4.189 4.340 0.001 0.000 0.203 327 Q C 1.782 177.674 176.000 -0.180 0.000 0.970 327 Q CA 1.779 57.570 55.803 -0.020 0.000 0.865 327 Q CB -0.013 28.771 28.738 0.077 0.000 0.922 327 Q HN 0.598 nan 8.270 nan 0.000 0.445 328 E N -0.926 119.169 120.200 -0.174 0.000 2.110 328 E HA 0.015 4.366 4.350 0.001 0.000 0.194 328 E C 1.958 178.334 176.600 -0.373 0.000 0.944 328 E CA 0.894 57.155 56.400 -0.231 0.000 0.899 328 E CB 0.159 29.872 29.700 0.020 0.000 0.907 328 E HN 0.083 nan 8.360 nan 0.000 0.473 329 T N 1.290 115.646 114.554 -0.329 0.000 2.746 329 T HA -0.162 4.189 4.350 0.001 0.000 0.267 329 T C 1.819 176.185 174.700 -0.557 0.000 1.039 329 T CA 1.673 63.511 62.100 -0.437 0.000 1.142 329 T CB -0.137 68.210 68.868 -0.867 0.000 0.866 329 T HN 0.037 nan 8.240 nan 0.000 0.444 330 E N 1.284 121.088 120.200 -0.659 0.000 2.072 330 E HA -0.031 4.320 4.350 0.001 0.000 0.190 330 E C 2.120 178.419 176.600 -0.501 0.000 0.982 330 E CA 1.113 57.212 56.400 -0.503 0.000 0.803 330 E CB -0.101 29.305 29.700 -0.489 0.000 0.755 330 E HN 0.482 nan 8.360 nan 0.000 0.453 331 Q N -0.371 119.082 119.800 -0.578 0.000 2.425 331 Q HA 0.119 4.460 4.340 0.001 0.000 0.204 331 Q C -0.049 175.726 176.000 -0.374 0.000 0.933 331 Q CA -0.145 55.378 55.803 -0.467 0.000 0.939 331 Q CB 0.772 29.230 28.738 -0.465 0.000 1.044 331 Q HN 0.109 nan 8.270 nan 0.000 0.513 332 V N 1.335 120.990 119.914 -0.432 0.000 2.599 332 V HA 0.145 4.265 4.120 0.001 0.000 0.300 332 V C -0.372 175.539 176.094 -0.304 0.000 1.034 332 V CA 0.091 62.120 62.300 -0.452 0.000 1.115 332 V CB 0.790 32.187 31.823 -0.709 0.000 0.934 332 V HN 0.214 nan 8.190 nan 0.000 0.485 333 A N 9.168 131.835 122.820 -0.256 0.000 2.394 333 A HA 0.659 4.980 4.320 0.001 0.000 0.333 333 A C -0.213 177.269 177.584 -0.171 0.000 1.397 333 A CA -0.660 51.274 52.037 -0.173 0.000 0.884 333 A CB 0.267 19.183 19.000 -0.139 0.000 1.147 333 A HN 0.757 nan 8.150 nan 0.000 0.505 334 M N 2.057 121.571 119.600 -0.144 0.000 2.144 334 M HA 0.598 5.079 4.480 0.001 0.000 0.356 334 M C 0.036 176.254 176.300 -0.137 0.000 1.217 334 M CA -0.020 55.174 55.300 -0.176 0.000 1.087 334 M CB 0.875 33.368 32.600 -0.177 0.000 1.609 334 M HN 0.773 nan 8.290 nan 0.000 0.467 335 A N 5.383 128.059 122.820 -0.240 0.000 2.437 335 A HA 0.684 5.005 4.320 0.001 0.000 0.293 335 A C -2.323 175.049 177.584 -0.352 0.000 1.038 335 A CA -1.057 50.795 52.037 -0.308 0.000 0.708 335 A CB 1.391 20.327 19.000 -0.105 0.000 1.251 335 A HN 0.518 nan 8.150 nan 0.000 0.409 336 P HA -0.108 nan 4.420 nan 0.000 0.221 336 P C 1.489 178.751 177.300 -0.062 0.000 1.145 336 P CA 1.793 64.760 63.100 -0.223 0.000 0.795 336 P CB 0.263 31.829 31.700 -0.223 0.000 0.775 337 A N -0.922 121.851 122.820 -0.078 0.000 2.067 337 A HA -0.100 4.220 4.320 0.001 0.000 0.219 337 A C 1.189 178.781 177.584 0.013 0.000 1.158 337 A CA 0.849 52.877 52.037 -0.014 0.000 0.661 337 A CB -1.038 17.953 19.000 -0.014 0.000 0.801 337 A HN 0.133 nan 8.150 nan 0.000 0.452 338 N N 0.956 119.651 118.700 -0.008 0.000 2.549 338 N HA 0.396 5.137 4.740 0.001 0.000 0.267 338 N C -0.935 174.659 175.510 0.140 0.000 1.182 338 N CA 0.494 53.557 53.050 0.023 0.000 1.019 338 N CB 0.145 38.604 38.487 -0.046 0.000 1.380 338 N HN 0.363 nan 8.380 nan 0.000 0.505 339 L N 0.576 121.876 121.223 0.128 0.000 2.319 339 L HA 0.646 4.987 4.340 0.001 0.000 0.267 339 L C 0.192 177.076 176.870 0.022 0.000 1.011 339 L CA -1.237 53.678 54.840 0.126 0.000 0.818 339 L CB 1.840 43.947 42.059 0.081 0.000 1.316 339 L HN 0.064 nan 8.230 nan 0.000 0.432 340 V N -1.393 118.461 119.914 -0.099 0.000 2.960 340 V HA 0.665 4.785 4.120 0.001 0.000 0.315 340 V C -2.655 173.366 176.094 -0.121 0.000 1.087 340 V CA -2.716 59.517 62.300 -0.112 0.000 0.982 340 V CB 1.385 33.104 31.823 -0.174 0.000 1.039 340 V HN 0.506 nan 8.190 nan 0.000 0.437 341 P HA 0.378 nan 4.420 nan 0.000 0.263 341 P C 0.881 178.134 177.300 -0.078 0.000 1.195 341 P CA 1.598 64.671 63.100 -0.044 0.000 0.762 341 P CB 0.624 32.307 31.700 -0.029 0.000 0.799 342 G N 2.617 111.383 108.800 -0.056 0.000 2.255 342 G HA2 -0.144 3.816 3.960 0.001 0.000 0.196 342 G HA3 -0.144 3.816 3.960 0.001 0.000 0.196 342 G C -0.134 174.718 174.900 -0.080 0.000 0.998 342 G CA -0.404 44.660 45.100 -0.058 0.000 0.656 342 G HN 0.489 nan 8.290 nan 0.000 0.490 343 I N 1.134 121.624 120.570 -0.133 0.000 2.512 343 I HA 0.586 4.757 4.170 0.001 0.000 0.287 343 I C -0.572 175.521 176.117 -0.039 0.000 1.069 343 I CA -0.674 60.538 61.300 -0.148 0.000 1.056 343 I CB 2.050 39.760 38.000 -0.483 0.000 1.229 343 I HN 0.079 nan 8.210 nan 0.000 0.429 344 E N 6.292 126.519 120.200 0.045 0.000 2.416 344 E HA 0.495 4.846 4.350 0.001 0.000 0.273 344 E C -2.711 173.958 176.600 0.116 0.000 0.935 344 E CA -2.055 54.373 56.400 0.047 0.000 0.784 344 E CB 2.624 32.310 29.700 -0.023 0.000 1.301 344 E HN 0.229 nan 8.360 nan 0.000 0.454 345 P HA 0.002 nan 4.420 nan 0.000 0.272 345 P C -0.505 176.765 177.300 -0.050 0.000 1.223 345 P CA -0.180 62.889 63.100 -0.052 0.000 0.784 345 P CB 0.743 32.381 31.700 -0.103 0.000 0.923 346 S N 0.905 116.565 115.700 -0.066 0.000 2.671 346 S HA 0.250 4.721 4.470 0.001 0.000 0.272 346 S C 0.694 175.313 174.600 0.032 0.000 1.174 346 S CA -0.351 57.913 58.200 0.106 0.000 1.004 346 S CB 0.201 63.550 63.200 0.248 0.000 1.077 346 S HN 0.248 nan 8.310 nan 0.000 0.553 347 E N 0.613 120.870 120.200 0.095 0.000 2.445 347 E HA 0.166 4.517 4.350 0.001 0.000 0.189 347 E C -0.382 176.216 176.600 -0.004 0.000 1.069 347 E CA -0.054 56.362 56.400 0.026 0.000 0.871 347 E CB -0.312 29.414 29.700 0.043 0.000 0.991 347 E HN 0.574 nan 8.360 nan 0.000 0.481 348 D N 1.112 121.501 120.400 -0.019 0.000 2.520 348 D HA -0.094 4.546 4.640 0.001 0.000 0.243 348 D C 0.614 176.881 176.300 -0.054 0.000 1.160 348 D CA 0.319 54.307 54.000 -0.019 0.000 0.877 348 D CB 0.638 41.417 40.800 -0.036 0.000 1.150 348 D HN 0.115 nan 8.370 nan 0.000 0.494 349 R N 2.969 123.469 120.500 -0.000 0.000 2.237 349 R HA -0.116 4.225 4.340 0.001 0.000 0.219 349 R C 1.712 178.015 176.300 0.005 0.000 1.080 349 R CA 0.306 56.410 56.100 0.005 0.000 0.995 349 R CB 0.008 30.331 30.300 0.039 0.000 0.875 349 R HN 0.399 nan 8.270 nan 0.000 0.462 350 L N 0.467 121.698 121.223 0.014 0.000 2.068 350 L HA -0.047 4.294 4.340 0.001 0.000 0.204 350 L C 1.978 178.755 176.870 -0.155 0.000 1.076 350 L CA 1.230 56.089 54.840 0.032 0.000 0.753 350 L CB -0.388 41.784 42.059 0.189 0.000 0.910 350 L HN 0.082 nan 8.230 nan 0.000 0.439 351 L N -0.536 120.404 121.223 -0.472 0.000 2.046 351 L HA -0.214 4.127 4.340 0.001 0.000 0.208 351 L C 2.463 179.142 176.870 -0.318 0.000 1.077 351 L CA 1.726 56.133 54.840 -0.721 0.000 0.747 351 L CB -0.856 40.537 42.059 -1.109 0.000 0.896 351 L HN 0.379 nan 8.230 nan 0.000 0.432 352 Q N -0.204 119.476 119.800 -0.200 0.000 2.077 352 Q HA -0.189 4.152 4.340 0.001 0.000 0.206 352 Q C 2.095 178.073 176.000 -0.038 0.000 0.989 352 Q CA 1.864 57.607 55.803 -0.099 0.000 0.853 352 Q CB -0.878 27.822 28.738 -0.064 0.000 0.907 352 Q HN 0.697 nan 8.270 nan 0.000 0.418 353 G N 0.658 109.447 108.800 -0.018 0.000 2.448 353 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 353 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 353 G C 1.470 176.420 174.900 0.083 0.000 1.135 353 G CA 0.172 45.306 45.100 0.055 0.000 0.784 353 G HN 0.263 nan 8.290 nan 0.000 0.543 354 R N -0.038 120.465 120.500 0.005 0.000 2.152 354 R HA -0.011 4.330 4.340 0.001 0.000 0.232 354 R C 2.448 178.792 176.300 0.074 0.000 1.117 354 R CA 0.858 57.005 56.100 0.079 0.000 0.981 354 R CB -0.388 29.912 30.300 -0.000 0.000 0.870 354 R HN 0.294 nan 8.270 nan 0.000 0.451 355 V N 0.587 120.510 119.914 0.014 0.000 2.490 355 V HA -0.228 3.893 4.120 0.001 0.000 0.250 355 V C 1.761 177.917 176.094 0.103 0.000 1.061 355 V CA 1.605 63.917 62.300 0.020 0.000 1.064 355 V CB -0.486 31.333 31.823 -0.007 0.000 0.670 355 V HN 0.229 nan 8.190 nan 0.000 0.461 356 F N 0.513 120.470 119.950 0.012 0.000 2.220 356 F HA 0.004 4.532 4.527 0.001 0.000 0.290 356 F C 2.686 178.517 175.800 0.053 0.000 1.080 356 F CA 1.520 59.535 58.000 0.025 0.000 1.318 356 F CB -0.456 38.549 39.000 0.008 0.000 1.063 356 F HN 0.043 nan 8.300 nan 0.000 0.498 357 S N -0.569 115.067 115.700 -0.108 0.000 2.370 357 S HA -0.254 4.217 4.470 0.001 0.000 0.226 357 S C 2.088 176.540 174.600 -0.247 0.000 1.033 357 S CA 1.850 59.912 58.200 -0.230 0.000 1.011 357 S CB -0.768 62.392 63.200 -0.067 0.000 0.852 357 S HN 0.542 nan 8.310 nan 0.000 0.457 358 Y N 1.220 121.383 120.300 -0.227 0.000 2.220 358 Y HA 0.090 4.641 4.550 0.001 0.000 0.291 358 Y C 2.801 178.585 175.900 -0.193 0.000 1.129 358 Y CA 0.841 58.833 58.100 -0.181 0.000 1.161 358 Y CB -0.595 37.772 38.460 -0.155 0.000 0.997 358 Y HN 0.375 nan 8.280 nan 0.000 0.522 359 A N -0.088 122.707 122.820 -0.042 0.000 1.933 359 A HA -0.242 4.079 4.320 0.001 0.000 0.218 359 A C 1.745 179.221 177.584 -0.180 0.000 1.175 359 A CA 2.064 54.040 52.037 -0.101 0.000 0.628 359 A CB -0.840 18.109 19.000 -0.085 0.000 0.814 359 A HN 0.506 nan 8.150 nan 0.000 0.444 360 D N -1.406 118.766 120.400 -0.380 0.000 2.084 360 D HA -0.142 4.499 4.640 0.001 0.000 0.196 360 D C 2.031 178.222 176.300 -0.182 0.000 0.985 360 D CA 2.018 55.778 54.000 -0.400 0.000 0.826 360 D CB -0.294 39.947 40.800 -0.932 0.000 0.978 360 D HN 0.273 nan 8.370 nan 0.000 0.456 361 T N -1.004 113.448 114.554 -0.171 0.000 2.759 361 T HA -0.179 4.172 4.350 0.001 0.000 0.269 361 T C 1.854 176.562 174.700 0.014 0.000 1.042 361 T CA 1.600 63.673 62.100 -0.045 0.000 1.140 361 T CB -0.235 68.586 68.868 -0.078 0.000 0.864 361 T HN 0.209 nan 8.240 nan 0.000 0.455 362 Q N -0.323 119.453 119.800 -0.040 0.000 2.224 362 Q HA 0.063 4.404 4.340 0.001 0.000 0.203 362 Q C 2.382 178.364 176.000 -0.029 0.000 0.970 362 Q CA 0.995 56.774 55.803 -0.040 0.000 0.865 362 Q CB -0.097 28.608 28.738 -0.056 0.000 0.922 362 Q HN 0.450 nan 8.270 nan 0.000 0.445 363 M N -0.973 118.619 119.600 -0.014 0.000 2.213 363 M HA -0.176 4.304 4.480 0.001 0.000 0.263 363 M C 1.861 178.191 176.300 0.051 0.000 1.062 363 M CA 1.442 56.746 55.300 0.008 0.000 1.105 363 M CB -0.493 32.116 32.600 0.014 0.000 1.385 363 M HN 0.308 nan 8.290 nan 0.000 0.417 364 Y N 0.410 120.683 120.300 -0.045 0.000 2.262 364 Y HA -0.034 4.516 4.550 0.001 0.000 0.295 364 Y C 2.582 178.465 175.900 -0.029 0.000 1.121 364 Y CA 1.461 59.544 58.100 -0.029 0.000 1.144 364 Y CB -0.374 38.070 38.460 -0.026 0.000 1.043 364 Y HN 0.090 nan 8.280 nan 0.000 0.528 365 R N 0.048 120.468 120.500 -0.133 0.000 2.075 365 R HA -0.089 4.252 4.340 0.001 0.000 0.232 365 R C 1.681 177.850 176.300 -0.218 0.000 1.126 365 R CA 2.063 58.020 56.100 -0.239 0.000 0.963 365 R CB -0.229 30.030 30.300 -0.068 0.000 0.858 365 R HN 0.472 nan 8.270 nan 0.000 0.435 366 L N -1.632 119.503 121.223 -0.147 0.000 2.276 366 L HA 0.374 4.715 4.340 0.001 0.000 0.194 366 L C 0.938 177.747 176.870 -0.102 0.000 1.099 366 L CA 0.376 55.142 54.840 -0.123 0.000 0.800 366 L CB 0.132 42.124 42.059 -0.111 0.000 0.994 366 L HN 0.472 nan 8.230 nan 0.000 0.475 367 G N -1.869 106.886 108.800 -0.076 0.000 2.339 367 G HA2 0.186 4.147 3.960 0.001 0.000 0.381 367 G HA3 0.186 4.147 3.960 0.001 0.000 0.381 367 G C 0.089 174.973 174.900 -0.027 0.000 1.400 367 G CA -0.283 44.789 45.100 -0.048 0.000 1.002 367 G HN 0.112 nan 8.290 nan 0.000 0.633 368 A N -0.206 122.608 122.820 -0.011 0.000 1.978 368 A HA -0.022 4.298 4.320 0.001 0.000 0.220 368 A C 1.700 179.277 177.584 -0.012 0.000 1.170 368 A CA 2.096 54.130 52.037 -0.005 0.000 0.636 368 A CB -0.288 18.715 19.000 0.005 0.000 0.810 368 A HN 0.608 nan 8.150 nan 0.000 0.448 369 N N -0.008 118.682 118.700 -0.016 0.000 2.322 369 N HA 0.059 4.800 4.740 0.001 0.000 0.216 369 N C 1.433 176.925 175.510 -0.031 0.000 1.144 369 N CA 0.713 53.752 53.050 -0.018 0.000 0.830 369 N CB 0.138 38.618 38.487 -0.012 0.000 1.034 369 N HN 0.474 nan 8.380 nan 0.000 0.484 370 G N 0.656 109.431 108.800 -0.042 0.000 2.432 370 G HA2 -0.162 3.799 3.960 0.001 0.000 0.219 370 G HA3 -0.162 3.799 3.960 0.001 0.000 0.219 370 G C 1.403 176.264 174.900 -0.066 0.000 1.135 370 G CA 0.246 45.308 45.100 -0.063 0.000 0.767 370 G HN 0.294 nan 8.290 nan 0.000 0.550 371 L N 1.723 122.915 121.223 -0.050 0.000 2.551 371 L HA 0.015 4.356 4.340 0.001 0.000 0.228 371 L C 2.695 179.543 176.870 -0.037 0.000 1.153 371 L CA 1.105 55.917 54.840 -0.048 0.000 0.851 371 L CB -0.160 41.877 42.059 -0.037 0.000 0.959 371 L HN 0.421 nan 8.230 nan 0.000 0.451 372 S N -0.912 114.769 115.700 -0.033 0.000 2.575 372 S HA 0.147 4.618 4.470 0.001 0.000 0.215 372 S C 0.755 175.336 174.600 -0.031 0.000 0.966 372 S CA -0.404 57.781 58.200 -0.024 0.000 0.911 372 S CB -0.262 62.929 63.200 -0.015 0.000 0.780 372 S HN 0.213 nan 8.310 nan 0.000 0.514 373 L N 1.655 122.850 121.223 -0.048 0.000 2.439 373 L HA 0.245 4.586 4.340 0.001 0.000 0.269 373 L C -1.297 175.537 176.870 -0.060 0.000 1.179 373 L CA -1.911 52.895 54.840 -0.057 0.000 0.828 373 L CB 0.214 42.221 42.059 -0.087 0.000 1.106 373 L HN -0.002 nan 8.230 nan 0.000 0.467 374 P HA -0.235 nan 4.420 nan 0.000 0.217 374 P C 1.645 178.900 177.300 -0.074 0.000 1.158 374 P CA 1.076 64.141 63.100 -0.059 0.000 0.887 374 P CB 0.199 31.866 31.700 -0.054 0.000 0.792 375 V N -0.577 119.270 119.914 -0.112 0.000 2.759 375 V HA -0.132 3.989 4.120 0.001 0.000 0.256 375 V C 1.468 177.523 176.094 -0.065 0.000 1.080 375 V CA 1.871 64.085 62.300 -0.144 0.000 1.101 375 V CB -0.949 30.679 31.823 -0.326 0.000 0.698 375 V HN 0.104 nan 8.190 nan 0.000 0.477 376 N N -0.438 118.217 118.700 -0.075 0.000 2.325 376 N HA 0.077 4.818 4.740 0.001 0.000 0.182 376 N C 0.642 176.168 175.510 0.026 0.000 1.088 376 N CA 0.113 53.132 53.050 -0.053 0.000 0.879 376 N CB 0.091 38.515 38.487 -0.106 0.000 0.983 376 N HN 0.611 nan 8.380 nan 0.000 0.471 377 Q N 1.618 121.442 119.800 0.040 0.000 2.364 377 Q HA 0.181 4.521 4.340 0.001 0.000 0.267 377 Q C -2.088 173.984 176.000 0.119 0.000 0.999 377 Q CA -1.333 54.497 55.803 0.044 0.000 0.886 377 Q CB 0.546 29.288 28.738 0.007 0.000 1.243 377 Q HN 0.156 nan 8.270 nan 0.000 0.415 378 P HA 0.068 nan 4.420 nan 0.000 0.276 378 P C -0.733 176.621 177.300 0.091 0.000 1.261 378 P CA -0.211 62.967 63.100 0.130 0.000 0.800 378 P CB 0.697 32.439 31.700 0.069 0.000 1.066 379 K N -0.168 120.290 120.400 0.097 0.000 2.500 379 K HA 0.223 4.544 4.320 0.001 0.000 0.206 379 K C 0.253 176.870 176.600 0.028 0.000 1.034 379 K CA -0.092 56.218 56.287 0.037 0.000 1.179 379 K CB -0.053 32.467 32.500 0.033 0.000 0.884 379 K HN 0.318 nan 8.250 nan 0.000 0.493 380 V N -3.508 116.424 119.914 0.030 0.000 3.074 380 V HA 0.733 4.854 4.120 0.001 0.000 0.314 380 V C -0.236 175.865 176.094 0.010 0.000 1.117 380 V CA -1.613 60.697 62.300 0.017 0.000 1.014 380 V CB 1.478 33.311 31.823 0.017 0.000 1.057 380 V HN 0.014 nan 8.190 nan 0.000 0.438 381 A N 1.274 124.096 122.820 0.003 0.000 2.498 381 A HA 0.600 4.921 4.320 0.001 0.000 0.239 381 A C -0.071 177.512 177.584 -0.002 0.000 1.068 381 A CA -0.076 51.960 52.037 -0.002 0.000 0.766 381 A CB 0.109 19.105 19.000 -0.006 0.000 1.003 381 A HN 1.335 nan 8.150 nan 0.000 0.497 382 V N 2.898 122.810 119.914 -0.004 0.000 2.459 382 V HA 0.484 4.605 4.120 0.001 0.000 0.295 382 V C -0.238 175.849 176.094 -0.012 0.000 1.029 382 V CA -0.566 61.731 62.300 -0.005 0.000 0.874 382 V CB 1.602 33.424 31.823 -0.002 0.000 0.985 382 V HN 0.954 nan 8.190 nan 0.000 0.438 383 N N 3.950 122.641 118.700 -0.015 0.000 2.594 383 N HA 0.426 5.167 4.740 0.001 0.000 0.280 383 N C -1.073 174.423 175.510 -0.024 0.000 1.156 383 N CA -0.430 52.606 53.050 -0.023 0.000 0.831 383 N CB 1.137 39.609 38.487 -0.026 0.000 1.379 383 N HN 0.905 nan 8.380 nan 0.000 0.536 384 N N 0.007 118.692 118.700 -0.025 0.000 3.364 384 N HA 0.427 5.168 4.740 0.001 0.000 0.294 384 N C 0.190 175.685 175.510 -0.025 0.000 1.562 384 N CA -0.617 52.420 53.050 -0.022 0.000 0.862 384 N CB 0.164 38.646 38.487 -0.009 0.000 1.691 384 N HN 0.146 nan 8.380 nan 0.000 0.572 385 G N -1.366 107.425 108.800 -0.014 0.000 3.233 385 G HA2 0.110 4.070 3.960 0.001 0.000 0.234 385 G HA3 0.110 4.070 3.960 0.001 0.000 0.234 385 G C -0.497 174.407 174.900 0.006 0.000 1.137 385 G CA -0.277 44.817 45.100 -0.009 0.000 0.763 385 G HN 0.467 nan 8.290 nan 0.000 0.549 386 N N 1.788 120.492 118.700 0.005 0.000 2.497 386 N HA 0.284 5.025 4.740 0.001 0.000 0.268 386 N C 0.351 175.865 175.510 0.007 0.000 1.171 386 N CA 0.268 53.324 53.050 0.011 0.000 0.948 386 N CB 1.009 39.502 38.487 0.010 0.000 1.069 386 N HN 0.662 nan 8.380 nan 0.000 0.460 387 Q N 0.315 120.122 119.800 0.012 0.000 2.693 387 Q HA 0.516 4.857 4.340 0.001 0.000 0.306 387 Q C -1.040 174.967 176.000 0.012 0.000 0.969 387 Q CA -0.800 55.008 55.803 0.009 0.000 0.757 387 Q CB 1.440 30.185 28.738 0.011 0.000 1.494 387 Q HN 0.270 nan 8.270 nan 0.000 0.459 388 D N -0.536 119.870 120.400 0.011 0.000 3.307 388 D HA -0.057 4.584 4.640 0.001 0.000 0.197 388 D C 0.353 176.660 176.300 0.011 0.000 1.363 388 D CA 2.574 56.582 54.000 0.013 0.000 1.100 388 D CB -1.468 39.341 40.800 0.016 0.000 0.616 388 D HN 1.442 nan 8.370 nan 0.000 0.719 389 G N -1.272 107.536 108.800 0.013 0.000 2.758 389 G HA2 0.390 4.351 3.960 0.001 0.000 0.686 389 G HA3 0.390 4.351 3.960 0.001 0.000 0.686 389 G C 0.028 174.933 174.900 0.008 0.000 1.389 389 G CA 0.374 45.481 45.100 0.011 0.000 0.845 389 G HN 1.498 nan 8.290 nan 0.000 0.572 390 A N 0.492 123.316 122.820 0.005 0.000 2.520 390 A HA 0.632 4.953 4.320 0.001 0.000 0.245 390 A C 1.512 179.096 177.584 0.000 0.000 1.072 390 A CA 0.905 52.944 52.037 0.002 0.000 0.761 390 A CB -0.305 18.695 19.000 -0.001 0.000 1.004 390 A HN 2.252 nan 8.150 nan 0.000 0.499 391 L N 0.819 122.043 121.223 0.002 0.000 3.632 391 L HA -0.187 4.154 4.340 0.001 0.000 0.510 391 L C 0.390 177.263 176.870 0.004 0.000 1.299 391 L CA 0.122 54.964 54.840 0.003 0.000 0.829 391 L CB -1.804 40.255 42.059 0.001 0.000 1.559 391 L HN 0.891 nan 8.230 nan 0.000 0.857 392 N N 1.214 119.918 118.700 0.007 0.000 2.420 392 N HA 0.131 4.871 4.740 0.001 0.000 0.262 392 N C 1.087 176.606 175.510 0.014 0.000 1.144 392 N CA 0.687 53.742 53.050 0.010 0.000 0.952 392 N CB 1.126 39.620 38.487 0.012 0.000 1.081 392 N HN 0.400 nan 8.380 nan 0.000 0.480 393 T N 0.113 114.675 114.554 0.013 0.000 3.186 393 T HA 0.272 4.623 4.350 0.001 0.000 0.257 393 T C 0.978 175.696 174.700 0.030 0.000 1.029 393 T CA -0.642 61.468 62.100 0.017 0.000 0.916 393 T CB 0.024 68.897 68.868 0.009 0.000 1.041 393 T HN 0.333 nan 8.240 nan 0.000 0.562 394 G N 0.131 108.953 108.800 0.037 0.000 2.621 394 G HA2 0.339 4.300 3.960 0.001 0.000 0.271 394 G HA3 0.339 4.300 3.960 0.001 0.000 0.271 394 G C -0.841 174.130 174.900 0.117 0.000 1.236 394 G CA -0.741 44.392 45.100 0.055 0.000 0.958 394 G HN 0.643 nan 8.290 nan 0.000 0.512 395 H N -0.170 118.895 119.070 -0.008 0.000 2.448 395 H HA 0.319 4.876 4.556 0.001 0.000 0.237 395 H C -0.652 174.671 175.328 -0.008 0.000 1.391 395 H CA -0.471 55.573 56.048 -0.007 0.000 1.477 395 H CB 0.157 29.914 29.762 -0.007 0.000 1.520 395 H HN 0.352 nan 8.280 nan 0.000 0.502 396 T N 2.063 116.523 114.554 -0.157 0.000 2.889 396 T HA 0.102 4.453 4.350 0.001 0.000 0.291 396 T C 1.378 175.917 174.700 -0.269 0.000 0.995 396 T CA 0.012 61.994 62.100 -0.197 0.000 1.092 396 T CB 1.597 70.414 68.868 -0.084 0.000 0.954 396 T HN 0.711 nan 8.240 nan 0.000 0.506 397 T N -1.464 112.944 114.554 -0.244 0.000 2.954 397 T HA 0.230 4.581 4.350 0.001 0.000 0.252 397 T C 1.142 175.782 174.700 -0.101 0.000 0.983 397 T CA -0.266 61.726 62.100 -0.180 0.000 0.941 397 T CB 0.201 68.952 68.868 -0.195 0.000 1.141 397 T HN 0.446 nan 8.240 nan 0.000 0.500 398 S N 0.391 116.031 115.700 -0.099 0.000 2.600 398 S HA 0.521 4.992 4.470 0.001 0.000 0.265 398 S C 1.441 176.006 174.600 -0.058 0.000 1.325 398 S CA 0.065 58.218 58.200 -0.077 0.000 1.002 398 S CB 0.601 63.745 63.200 -0.094 0.000 0.921 398 S HN 0.546 nan 8.310 nan 0.000 0.554 399 G N 1.043 109.816 108.800 -0.044 0.000 3.126 399 G HA2 0.255 4.216 3.960 0.001 0.000 0.224 399 G HA3 0.255 4.216 3.960 0.001 0.000 0.224 399 G C -0.305 174.582 174.900 -0.021 0.000 1.142 399 G CA -0.095 45.001 45.100 -0.007 0.000 0.759 399 G HN 0.584 nan 8.290 nan 0.000 0.550 400 V N 3.057 122.886 119.914 -0.140 0.000 2.270 400 V HA 0.155 4.276 4.120 0.001 0.000 0.263 400 V C 0.012 175.901 176.094 -0.342 0.000 1.066 400 V CA -0.741 61.315 62.300 -0.407 0.000 0.857 400 V CB 0.514 32.063 31.823 -0.457 0.000 1.099 400 V HN 0.470 nan 8.190 nan 0.000 0.476 401 N N 3.276 121.850 118.700 -0.211 0.000 2.328 401 N HA 0.120 4.861 4.740 0.001 0.000 0.247 401 N C -0.489 175.022 175.510 0.002 0.000 1.165 401 N CA -0.383 52.621 53.050 -0.077 0.000 0.873 401 N CB 0.106 38.602 38.487 0.015 0.000 1.125 401 N HN 0.613 nan 8.380 nan 0.000 0.513 402 Y N -2.576 117.720 120.300 -0.007 0.000 2.576 402 Y HA 0.825 5.376 4.550 0.002 0.000 0.346 402 Y C -0.574 175.322 175.900 -0.007 0.000 1.018 402 Y CA -1.362 56.735 58.100 -0.005 0.000 1.050 402 Y CB 1.431 39.888 38.460 -0.004 0.000 1.280 402 Y HN -0.135 nan 8.280 nan 0.000 0.474 403 E N 2.746 123.051 120.200 0.174 0.000 2.290 403 E HA 0.441 4.792 4.350 0.001 0.000 0.274 403 E C -2.931 173.744 176.600 0.125 0.000 0.889 403 E CA -1.829 54.626 56.400 0.093 0.000 0.760 403 E CB 2.352 32.065 29.700 0.023 0.000 1.206 403 E HN 0.815 nan 8.360 nan 0.000 0.419 404 P HA 0.444 nan 4.420 nan 0.000 0.281 404 P C -0.995 176.409 177.300 0.173 0.000 1.264 404 P CA -0.593 62.563 63.100 0.094 0.000 0.824 404 P CB 1.371 33.105 31.700 0.056 0.000 1.092 405 S N -0.538 115.216 115.700 0.090 0.000 2.540 405 S HA 0.363 4.834 4.470 0.001 0.000 0.275 405 S C 0.624 175.252 174.600 0.045 0.000 1.123 405 S CA -0.869 57.394 58.200 0.105 0.000 0.907 405 S CB 1.195 64.347 63.200 -0.079 0.000 1.081 405 S HN 0.606 nan 8.310 nan 0.000 0.476 406 R N 3.704 124.240 120.500 0.060 0.000 2.312 406 R HA 0.321 4.662 4.340 0.001 0.000 0.205 406 R C 0.786 177.096 176.300 0.015 0.000 0.904 406 R CA 0.278 56.395 56.100 0.029 0.000 1.052 406 R CB -0.321 29.997 30.300 0.029 0.000 1.014 406 R HN 0.568 nan 8.270 nan 0.000 0.503 407 L N 0.386 121.619 121.223 0.017 0.000 2.145 407 L HA 0.163 4.504 4.340 0.001 0.000 0.201 407 L C 0.422 177.273 176.870 -0.031 0.000 1.075 407 L CA 0.947 55.786 54.840 -0.001 0.000 0.773 407 L CB 0.129 42.198 42.059 0.017 0.000 0.936 407 L HN 0.186 nan 8.230 nan 0.000 0.451 408 E N 0.617 120.778 120.200 -0.065 0.000 2.914 408 E HA 0.240 4.591 4.350 0.001 0.000 0.246 408 E C -2.421 174.124 176.600 -0.092 0.000 1.146 408 E CA -1.755 54.594 56.400 -0.085 0.000 0.803 408 E CB 1.324 30.955 29.700 -0.116 0.000 1.409 408 E HN 0.033 nan 8.360 nan 0.000 0.392 409 P HA 0.096 nan 4.420 nan 0.000 0.271 409 P C -0.523 176.747 177.300 -0.050 0.000 1.218 409 P CA -0.213 62.860 63.100 -0.045 0.000 0.780 409 P CB 0.717 32.402 31.700 -0.026 0.000 0.901 410 R N 2.267 122.740 120.500 -0.045 0.000 2.639 410 R HA 0.292 4.633 4.340 0.001 0.000 0.273 410 R C -2.216 174.066 176.300 -0.030 0.000 1.732 410 R CA -1.442 54.633 56.100 -0.041 0.000 1.586 410 R CB 0.898 31.168 30.300 -0.049 0.000 1.263 410 R HN 0.459 nan 8.270 nan 0.000 0.615 411 P HA 0.098 nan 4.420 nan 0.000 0.271 411 P C -0.187 177.096 177.300 -0.028 0.000 1.216 411 P CA -0.126 62.960 63.100 -0.024 0.000 0.776 411 P CB 0.989 32.676 31.700 -0.022 0.000 0.881 412 A N 2.066 124.867 122.820 -0.031 0.000 2.327 412 A HA 0.244 4.565 4.320 0.001 0.000 0.255 412 A C 0.125 177.685 177.584 -0.041 0.000 1.099 412 A CA -0.164 51.848 52.037 -0.041 0.000 0.801 412 A CB -0.091 18.878 19.000 -0.052 0.000 1.062 412 A HN 0.567 nan 8.150 nan 0.000 0.496 413 D N -0.671 119.700 120.400 -0.048 0.000 2.441 413 D HA 0.350 4.991 4.640 0.001 0.000 0.231 413 D C -0.106 176.163 176.300 -0.051 0.000 1.073 413 D CA -0.340 53.634 54.000 -0.043 0.000 0.850 413 D CB 0.777 41.554 40.800 -0.038 0.000 1.062 413 D HN 0.401 nan 8.370 nan 0.000 0.524 414 D N 2.082 122.456 120.400 -0.044 0.000 2.265 414 D HA -0.133 4.507 4.640 0.001 0.000 0.208 414 D C 1.337 177.611 176.300 -0.044 0.000 0.977 414 D CA 1.048 55.020 54.000 -0.047 0.000 0.871 414 D CB 0.325 41.104 40.800 -0.035 0.000 0.925 414 D HN 0.406 nan 8.370 nan 0.000 0.485 415 K N -0.110 120.268 120.400 -0.037 0.000 2.439 415 K HA 0.095 4.416 4.320 0.001 0.000 0.197 415 K C 1.362 177.941 176.600 -0.035 0.000 1.041 415 K CA 0.605 56.874 56.287 -0.030 0.000 0.970 415 K CB 0.287 32.772 32.500 -0.024 0.000 0.773 415 K HN 0.068 nan 8.250 nan 0.000 0.479 416 A N 1.132 123.921 122.820 -0.051 0.000 2.423 416 A HA 0.113 4.434 4.320 0.001 0.000 0.246 416 A C 0.102 177.625 177.584 -0.102 0.000 1.278 416 A CA -0.284 51.718 52.037 -0.057 0.000 0.903 416 A CB 0.042 19.006 19.000 -0.059 0.000 0.997 416 A HN 0.098 nan 8.150 nan 0.000 0.510 417 R N -0.358 120.076 120.500 -0.109 0.000 2.643 417 R HA 0.261 4.601 4.340 0.001 0.000 0.270 417 R C -0.746 175.515 176.300 -0.064 0.000 1.061 417 R CA -0.005 55.992 56.100 -0.172 0.000 1.107 417 R CB 0.240 30.478 30.300 -0.104 0.000 0.999 417 R HN 0.546 nan 8.270 nan 0.000 0.460 418 Y N 0.386 120.681 120.300 -0.009 0.000 2.511 418 Y HA -0.077 4.474 4.550 0.001 0.000 0.347 418 Y C 1.420 177.313 175.900 -0.013 0.000 1.257 418 Y CA -0.488 57.606 58.100 -0.011 0.000 1.469 418 Y CB 0.456 38.914 38.460 -0.005 0.000 1.353 418 Y HN 0.608 nan 8.280 nan 0.000 0.617 419 S N 0.663 116.452 115.700 0.148 0.000 2.585 419 S HA 0.149 4.620 4.470 0.001 0.000 0.273 419 S C -0.663 173.977 174.600 0.066 0.000 1.339 419 S CA -0.969 57.270 58.200 0.065 0.000 1.028 419 S CB 0.715 63.926 63.200 0.019 0.000 0.906 419 S HN 0.603 nan 8.310 nan 0.000 0.528 420 E N 0.801 121.026 120.200 0.041 0.000 2.109 420 E HA 0.410 4.761 4.350 0.001 0.000 0.278 420 E C -1.077 175.540 176.600 0.028 0.000 0.954 420 E CA -0.624 55.799 56.400 0.038 0.000 0.779 420 E CB 1.427 31.145 29.700 0.030 0.000 1.093 420 E HN 0.529 nan 8.360 nan 0.000 0.401 421 L N 5.227 126.469 121.223 0.032 0.000 2.282 421 L HA 0.453 4.793 4.340 0.001 0.000 0.288 421 L C -2.452 174.435 176.870 0.029 0.000 1.033 421 L CA -1.735 53.126 54.840 0.036 0.000 0.807 421 L CB 0.687 42.773 42.059 0.045 0.000 1.209 421 L HN 0.296 nan 8.230 nan 0.000 0.423 422 P HA 0.345 nan 4.420 nan 0.000 0.271 422 P C -1.196 176.114 177.300 0.017 0.000 1.216 422 P CA -0.050 63.061 63.100 0.018 0.000 0.776 422 P CB 0.637 32.345 31.700 0.013 0.000 0.881 423 L N 1.459 122.690 121.223 0.012 0.000 2.319 423 L HA 0.771 5.112 4.340 0.001 0.000 0.267 423 L C 0.343 177.217 176.870 0.005 0.000 1.011 423 L CA -0.448 54.398 54.840 0.010 0.000 0.818 423 L CB 2.004 44.069 42.059 0.010 0.000 1.316 423 L HN 0.552 nan 8.230 nan 0.000 0.432 424 S N -0.391 115.311 115.700 0.004 0.000 2.611 424 S HA 0.898 5.369 4.470 0.001 0.000 0.268 424 S C -0.305 174.296 174.600 0.001 0.000 1.156 424 S CA -0.169 58.031 58.200 0.001 0.000 0.817 424 S CB 1.539 64.739 63.200 -0.001 0.000 1.122 424 S HN 1.433 nan 8.310 nan 0.000 0.466 425 G N 0.687 109.488 108.800 0.001 0.000 2.499 425 G HA2 0.252 4.213 3.960 0.001 0.000 0.232 425 G HA3 0.252 4.213 3.960 0.001 0.000 0.232 425 G C -0.025 174.876 174.900 0.002 0.000 1.251 425 G CA 0.589 45.690 45.100 0.001 0.000 0.917 425 G HN 2.454 nan 8.290 nan 0.000 0.580 426 T N -2.910 111.645 114.554 0.003 0.000 2.865 426 T HA 0.774 5.125 4.350 0.001 0.000 0.294 426 T C 0.461 175.163 174.700 0.003 0.000 1.119 426 T CA 0.712 62.813 62.100 0.003 0.000 1.007 426 T CB 1.256 70.126 68.868 0.003 0.000 1.225 426 T HN 2.199 nan 8.240 nan 0.000 0.515 427 T N 0.449 115.004 114.554 0.002 0.000 2.940 427 T HA 0.478 4.829 4.350 0.001 0.000 0.309 427 T C -0.155 174.547 174.700 0.003 0.000 1.056 427 T CA -0.405 61.696 62.100 0.002 0.000 1.137 427 T CB 0.019 68.887 68.868 -0.000 0.000 0.976 427 T HN 1.080 nan 8.240 nan 0.000 0.547 428 Q N 0.953 120.755 119.800 0.004 0.000 2.575 428 Q HA 0.448 4.789 4.340 0.001 0.000 0.290 428 Q C -1.796 174.209 176.000 0.009 0.000 0.963 428 Q CA -1.197 54.610 55.803 0.006 0.000 0.783 428 Q CB 1.562 30.305 28.738 0.008 0.000 1.467 428 Q HN 0.660 nan 8.270 nan 0.000 0.402 429 Q N 0.211 120.017 119.800 0.011 0.000 2.674 429 Q HA 0.743 5.084 4.340 0.001 0.000 0.249 429 Q C -1.633 174.378 176.000 0.019 0.000 1.011 429 Q CA -0.420 55.392 55.803 0.015 0.000 0.734 429 Q CB 1.974 30.720 28.738 0.014 0.000 1.201 429 Q HN 0.649 nan 8.270 nan 0.000 0.498 430 A N 1.881 124.714 122.820 0.021 0.000 2.547 430 A HA 0.550 4.871 4.320 0.001 0.000 0.297 430 A C -0.888 176.713 177.584 0.028 0.000 1.056 430 A CA -1.077 50.974 52.037 0.024 0.000 0.688 430 A CB 1.113 20.125 19.000 0.019 0.000 1.282 430 A HN 0.568 nan 8.150 nan 0.000 0.400 431 K N 1.698 122.118 120.400 0.032 0.000 2.230 431 K HA 0.490 4.811 4.320 0.001 0.000 0.253 431 K C 0.286 176.906 176.600 0.033 0.000 1.008 431 K CA -0.293 56.017 56.287 0.037 0.000 0.910 431 K CB 0.219 32.743 32.500 0.039 0.000 0.994 431 K HN 0.766 nan 8.250 nan 0.000 0.495 432 I N -1.159 119.433 120.570 0.038 0.000 2.836 432 I HA -0.034 4.137 4.170 0.001 0.000 0.285 432 I C 1.228 177.364 176.117 0.031 0.000 1.174 432 I CA -0.333 60.988 61.300 0.034 0.000 1.405 432 I CB 0.951 38.977 38.000 0.044 0.000 1.385 432 I HN 0.899 nan 8.210 nan 0.000 0.594 433 T N 1.533 116.102 114.554 0.025 0.000 3.014 433 T HA 0.119 4.470 4.350 0.001 0.000 0.263 433 T C 0.917 175.634 174.700 0.030 0.000 1.078 433 T CA 0.290 62.404 62.100 0.024 0.000 1.135 433 T CB -0.180 68.698 68.868 0.016 0.000 0.895 433 T HN 0.690 nan 8.240 nan 0.000 0.480 434 R N 1.337 121.860 120.500 0.038 0.000 2.247 434 R HA 0.428 4.769 4.340 0.001 0.000 0.329 434 R C 0.496 176.835 176.300 0.065 0.000 1.014 434 R CA -0.208 55.923 56.100 0.052 0.000 0.907 434 R CB 1.078 31.412 30.300 0.056 0.000 1.146 434 R HN 0.413 nan 8.270 nan 0.000 0.499 435 E N 1.357 121.581 120.200 0.040 0.000 2.166 435 E HA -0.108 4.243 4.350 0.001 0.000 0.192 435 E C -0.050 176.541 176.600 -0.015 0.000 0.967 435 E CA 0.007 56.412 56.400 0.009 0.000 0.840 435 E CB 0.324 30.002 29.700 -0.037 0.000 0.795 435 E HN 0.488 nan 8.360 nan 0.000 0.470 436 Q N 1.312 121.107 119.800 -0.008 0.000 2.426 436 Q HA -0.216 4.125 4.340 0.001 0.000 0.359 436 Q C -0.145 175.745 176.000 -0.183 0.000 1.381 436 Q CA -0.106 55.681 55.803 -0.026 0.000 1.060 436 Q CB -0.782 28.002 28.738 0.076 0.000 1.253 436 Q HN 0.236 nan 8.270 nan 0.000 0.363 437 N N -0.120 118.307 118.700 -0.455 0.000 2.446 437 N HA -0.018 4.723 4.740 0.001 0.000 0.179 437 N C 0.478 175.461 175.510 -0.879 0.000 1.054 437 N CA 1.023 53.604 53.050 -0.780 0.000 0.905 437 N CB 0.114 37.884 38.487 -1.195 0.000 0.973 437 N HN 0.469 nan 8.380 nan 0.000 0.448 438 F N 0.170 120.114 119.950 -0.010 0.000 2.752 438 F HA 0.317 4.845 4.527 0.001 0.000 0.310 438 F C 2.125 177.933 175.800 0.014 0.000 1.097 438 F CA -0.412 57.592 58.000 0.006 0.000 1.238 438 F CB 0.290 39.300 39.000 0.017 0.000 1.061 438 F HN -0.195 nan 8.300 nan 0.000 0.591 439 K N 0.990 121.457 120.400 0.112 0.000 2.002 439 K HA -0.192 4.129 4.320 0.001 0.000 0.209 439 K C 1.867 178.485 176.600 0.030 0.000 1.048 439 K CA 1.762 58.095 56.287 0.077 0.000 0.930 439 K CB -0.119 32.413 32.500 0.052 0.000 0.714 439 K HN 0.302 nan 8.250 nan 0.000 0.438 440 Q N -0.390 119.392 119.800 -0.032 0.000 2.170 440 Q HA -0.118 4.223 4.340 0.001 0.000 0.203 440 Q C 2.049 178.036 176.000 -0.022 0.000 0.976 440 Q CA 1.204 56.968 55.803 -0.064 0.000 0.858 440 Q CB -0.066 28.587 28.738 -0.141 0.000 0.907 440 Q HN 0.402 nan 8.270 nan 0.000 0.433 441 A N 0.943 123.784 122.820 0.034 0.000 1.902 441 A HA -0.118 4.203 4.320 0.001 0.000 0.217 441 A C 2.267 179.933 177.584 0.136 0.000 1.181 441 A CA 1.646 53.748 52.037 0.108 0.000 0.623 441 A CB -1.134 17.986 19.000 0.201 0.000 0.818 441 A HN 0.476 nan 8.150 nan 0.000 0.443 442 G N -0.123 108.760 108.800 0.138 0.000 2.421 442 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 442 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 442 G C 1.134 176.082 174.900 0.080 0.000 1.171 442 G CA 1.227 46.409 45.100 0.137 0.000 0.775 442 G HN 0.453 nan 8.290 nan 0.000 0.543 443 D N 0.084 120.497 120.400 0.021 0.000 2.144 443 D HA -0.096 4.544 4.640 0.001 0.000 0.199 443 D C 2.368 178.599 176.300 -0.114 0.000 0.984 443 D CA 0.567 54.547 54.000 -0.033 0.000 0.834 443 D CB -0.323 40.454 40.800 -0.038 0.000 0.955 443 D HN 0.253 nan 8.370 nan 0.000 0.465 444 L N -0.042 121.092 121.223 -0.149 0.000 2.046 444 L HA -0.171 4.170 4.340 0.001 0.000 0.208 444 L C 2.217 178.711 176.870 -0.627 0.000 1.077 444 L CA 1.506 56.135 54.840 -0.350 0.000 0.747 444 L CB -0.930 40.977 42.059 -0.253 0.000 0.896 444 L HN 0.026 nan 8.230 nan 0.000 0.432 445 Y N 0.661 120.689 120.300 -0.453 0.000 2.097 445 Y HA -0.280 4.271 4.550 0.001 0.000 0.282 445 Y C 2.663 178.380 175.900 -0.305 0.000 1.152 445 Y CA 2.110 59.950 58.100 -0.433 0.000 1.136 445 Y CB -0.263 37.997 38.460 -0.333 0.000 0.975 445 Y HN 0.149 nan 8.280 nan 0.000 0.498 446 R N -0.130 120.260 120.500 -0.182 0.000 2.193 446 R HA -0.115 4.225 4.340 0.001 0.000 0.229 446 R C 2.464 178.635 176.300 -0.214 0.000 1.110 446 R CA 1.220 57.210 56.100 -0.183 0.000 0.988 446 R CB -0.431 29.853 30.300 -0.026 0.000 0.871 446 R HN 0.525 nan 8.270 nan 0.000 0.458 447 S N -0.603 114.935 115.700 -0.271 0.000 2.489 447 S HA -0.051 4.419 4.470 0.001 0.000 0.228 447 S C 0.686 175.209 174.600 -0.129 0.000 0.995 447 S CA -0.024 58.055 58.200 -0.201 0.000 0.934 447 S CB -0.162 62.904 63.200 -0.224 0.000 0.771 447 S HN 0.224 nan 8.310 nan 0.000 0.522 448 Y N 3.492 123.675 120.300 -0.195 0.000 2.397 448 Y HA 0.263 4.814 4.550 0.001 0.000 0.335 448 Y C 1.475 177.269 175.900 -0.177 0.000 1.213 448 Y CA -0.578 57.408 58.100 -0.190 0.000 1.391 448 Y CB 0.631 38.933 38.460 -0.263 0.000 1.293 448 Y HN 0.298 nan 8.280 nan 0.000 0.557 449 S N 1.302 117.037 115.700 0.059 0.000 2.596 449 S HA 0.200 4.671 4.470 0.001 0.000 0.260 449 S C 1.166 175.743 174.600 -0.038 0.000 1.336 449 S CA -0.423 57.773 58.200 -0.006 0.000 0.993 449 S CB 1.159 64.354 63.200 -0.008 0.000 0.923 449 S HN 0.850 nan 8.310 nan 0.000 0.567 450 A N 1.304 124.103 122.820 -0.036 0.000 1.883 450 A HA -0.158 4.163 4.320 0.001 0.000 0.217 450 A C 2.162 179.727 177.584 -0.031 0.000 1.186 450 A CA 1.900 53.916 52.037 -0.035 0.000 0.624 450 A CB -0.991 17.998 19.000 -0.017 0.000 0.822 450 A HN 0.927 nan 8.150 nan 0.000 0.444 451 K N -0.025 120.358 120.400 -0.029 0.000 2.097 451 K HA -0.194 4.127 4.320 0.001 0.000 0.206 451 K C 1.782 178.350 176.600 -0.053 0.000 1.049 451 K CA 1.762 58.031 56.287 -0.029 0.000 0.933 451 K CB -0.228 32.256 32.500 -0.026 0.000 0.717 451 K HN 0.652 nan 8.250 nan 0.000 0.442 452 E N 0.601 120.748 120.200 -0.088 0.000 2.077 452 E HA -0.157 4.194 4.350 0.001 0.000 0.193 452 E C 2.096 178.589 176.600 -0.178 0.000 0.989 452 E CA 1.277 57.565 56.400 -0.187 0.000 0.800 452 E CB 0.069 29.592 29.700 -0.295 0.000 0.746 452 E HN 0.308 nan 8.360 nan 0.000 0.452 453 K N 0.224 120.558 120.400 -0.110 0.000 2.057 453 K HA -0.103 4.218 4.320 0.001 0.000 0.207 453 K C 2.310 178.940 176.600 0.051 0.000 1.049 453 K CA 1.622 57.878 56.287 -0.052 0.000 0.931 453 K CB -0.183 32.234 32.500 -0.137 0.000 0.714 453 K HN 0.066 nan 8.250 nan 0.000 0.440 454 T N 1.571 116.143 114.554 0.030 0.000 2.684 454 T HA -0.152 4.199 4.350 0.001 0.000 0.267 454 T C 1.320 176.060 174.700 0.067 0.000 1.036 454 T CA 1.680 63.814 62.100 0.057 0.000 1.148 454 T CB -0.307 68.581 68.868 0.033 0.000 0.863 454 T HN 0.188 nan 8.240 nan 0.000 0.436 455 D N 0.825 121.246 120.400 0.035 0.000 2.144 455 D HA -0.027 4.614 4.640 0.001 0.000 0.200 455 D C 2.078 178.441 176.300 0.106 0.000 0.978 455 D CA 0.515 54.547 54.000 0.053 0.000 0.833 455 D CB -0.426 40.381 40.800 0.011 0.000 0.961 455 D HN 0.238 nan 8.370 nan 0.000 0.470 456 L N 0.459 121.744 121.223 0.102 0.000 2.017 456 L HA -0.119 4.222 4.340 0.001 0.000 0.208 456 L C 2.164 179.234 176.870 0.332 0.000 1.073 456 L CA 1.368 56.340 54.840 0.221 0.000 0.745 456 L CB -0.547 41.622 42.059 0.184 0.000 0.894 456 L HN -0.151 nan 8.230 nan 0.000 0.432 457 V N -0.248 119.832 119.914 0.278 0.000 2.343 457 V HA -0.296 3.825 4.120 0.001 0.000 0.247 457 V C 2.685 178.897 176.094 0.197 0.000 1.051 457 V CA 1.991 64.450 62.300 0.266 0.000 1.036 457 V CB -0.479 31.480 31.823 0.227 0.000 0.654 457 V HN 0.649 nan 8.190 nan 0.000 0.451 458 Q N -0.216 119.680 119.800 0.160 0.000 2.123 458 Q HA -0.149 4.192 4.340 0.001 0.000 0.199 458 Q C 2.134 178.225 176.000 0.153 0.000 0.966 458 Q CA 1.489 57.367 55.803 0.126 0.000 0.845 458 Q CB -0.102 28.695 28.738 0.099 0.000 0.907 458 Q HN 0.350 nan 8.270 nan 0.000 0.439 459 K N -0.303 120.218 120.400 0.203 0.000 2.062 459 K HA -0.058 4.263 4.320 0.001 0.000 0.205 459 K C 1.903 178.639 176.600 0.226 0.000 1.051 459 K CA 1.115 57.554 56.287 0.255 0.000 0.941 459 K CB -0.836 31.858 32.500 0.324 0.000 0.719 459 K HN 0.305 nan 8.250 nan 0.000 0.440 460 F N 0.992 120.945 119.950 0.006 0.000 2.102 460 F HA -0.163 4.365 4.527 0.001 0.000 0.298 460 F C 2.131 177.760 175.800 -0.284 0.000 1.105 460 F CA 1.160 58.927 58.000 -0.387 0.000 1.239 460 F CB -0.153 38.762 39.000 -0.141 0.000 0.991 460 F HN 0.166 nan 8.300 nan 0.000 0.474 461 G N -0.444 108.435 108.800 0.133 0.000 2.422 461 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 461 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 461 G C 1.369 176.287 174.900 0.029 0.000 1.146 461 G CA 0.870 45.979 45.100 0.015 0.000 0.769 461 G HN 0.384 nan 8.290 nan 0.000 0.547 462 E N 0.119 120.363 120.200 0.074 0.000 2.110 462 E HA -0.095 4.256 4.350 0.001 0.000 0.193 462 E C 2.663 179.329 176.600 0.111 0.000 0.988 462 E CA 0.992 57.444 56.400 0.086 0.000 0.804 462 E CB -0.110 29.653 29.700 0.106 0.000 0.745 462 E HN 0.400 nan 8.360 nan 0.000 0.458 463 S N 0.253 116.032 115.700 0.131 0.000 2.402 463 S HA -0.036 4.435 4.470 0.001 0.000 0.229 463 S C 1.725 176.489 174.600 0.273 0.000 1.021 463 S CA 0.603 58.943 58.200 0.233 0.000 0.974 463 S CB 0.060 63.408 63.200 0.247 0.000 0.800 463 S HN 0.222 nan 8.310 nan 0.000 0.484 464 L N 0.510 121.760 121.223 0.044 0.000 2.529 464 L HA 0.280 4.621 4.340 0.001 0.000 0.223 464 L C 2.390 179.236 176.870 -0.041 0.000 1.113 464 L CA 0.674 55.425 54.840 -0.148 0.000 0.861 464 L CB -0.436 41.382 42.059 -0.401 0.000 1.012 464 L HN 0.410 nan 8.230 nan 0.000 0.461 465 A N 0.576 123.401 122.820 0.009 0.000 1.978 465 A HA -0.219 4.102 4.320 0.001 0.000 0.220 465 A C 1.295 178.892 177.584 0.023 0.000 1.170 465 A CA 1.920 53.959 52.037 0.003 0.000 0.636 465 A CB -0.375 18.638 19.000 0.020 0.000 0.810 465 A HN 0.629 nan 8.150 nan 0.000 0.448 466 D N -1.611 118.826 120.400 0.061 0.000 2.559 466 D HA 0.149 4.790 4.640 0.001 0.000 0.234 466 D C -0.021 176.324 176.300 0.073 0.000 1.226 466 D CA -0.096 53.938 54.000 0.057 0.000 0.830 466 D CB -0.951 39.885 40.800 0.060 0.000 1.028 466 D HN 0.051 nan 8.370 nan 0.000 0.492 467 T N 1.143 115.747 114.554 0.083 0.000 2.898 467 T HA 0.317 4.668 4.350 0.001 0.000 0.301 467 T C 0.730 175.461 174.700 0.051 0.000 1.049 467 T CA -0.637 61.526 62.100 0.105 0.000 1.095 467 T CB 0.513 69.461 68.868 0.134 0.000 0.976 467 T HN 0.300 nan 8.240 nan 0.000 0.539 468 L N 1.424 122.681 121.223 0.057 0.000 2.514 468 L HA 0.202 4.543 4.340 0.001 0.000 0.280 468 L C 1.477 178.348 176.870 0.001 0.000 1.223 468 L CA 0.028 54.885 54.840 0.028 0.000 0.864 468 L CB -0.530 41.550 42.059 0.035 0.000 1.118 468 L HN 0.538 nan 8.230 nan 0.000 0.494 469 T N 0.440 114.985 114.554 -0.015 0.000 2.665 469 T HA -0.218 4.133 4.350 0.001 0.000 0.268 469 T C 1.500 176.166 174.700 -0.057 0.000 1.035 469 T CA 2.068 64.144 62.100 -0.040 0.000 1.151 469 T CB -0.250 68.595 68.868 -0.038 0.000 0.862 469 T HN 0.900 nan 8.240 nan 0.000 0.438 470 E N 0.633 120.806 120.200 -0.045 0.000 2.017 470 E HA -0.144 4.207 4.350 0.001 0.000 0.193 470 E C 2.430 178.977 176.600 -0.088 0.000 0.997 470 E CA 1.436 57.798 56.400 -0.064 0.000 0.804 470 E CB -0.109 29.564 29.700 -0.044 0.000 0.757 470 E HN 0.357 nan 8.360 nan 0.000 0.448 471 S N 0.703 116.369 115.700 -0.057 0.000 2.370 471 S HA -0.204 4.267 4.470 0.001 0.000 0.226 471 S C 1.819 176.365 174.600 -0.091 0.000 1.033 471 S CA 1.416 59.579 58.200 -0.061 0.000 1.011 471 S CB -0.279 62.944 63.200 0.038 0.000 0.852 471 S HN 0.255 nan 8.310 nan 0.000 0.457 472 K N 1.326 121.675 120.400 -0.086 0.000 2.032 472 K HA -0.149 4.172 4.320 0.001 0.000 0.209 472 K C 1.653 178.130 176.600 -0.205 0.000 1.048 472 K CA 1.543 57.745 56.287 -0.143 0.000 0.927 472 K CB -0.164 32.268 32.500 -0.113 0.000 0.712 472 K HN 0.195 nan 8.250 nan 0.000 0.441 473 N N 0.764 119.352 118.700 -0.185 0.000 2.270 473 N HA -0.084 4.657 4.740 0.001 0.000 0.181 473 N C 1.882 177.221 175.510 -0.285 0.000 1.016 473 N CA 1.003 53.923 53.050 -0.217 0.000 0.870 473 N CB -0.110 38.273 38.487 -0.174 0.000 0.979 473 N HN 0.262 nan 8.380 nan 0.000 0.431 474 I N 0.664 121.053 120.570 -0.301 0.000 2.202 474 I HA -0.223 3.948 4.170 0.001 0.000 0.242 474 I C 2.115 177.800 176.117 -0.719 0.000 1.091 474 I CA 0.843 61.866 61.300 -0.462 0.000 1.368 474 I CB -0.125 37.646 38.000 -0.381 0.000 1.058 474 I HN 0.040 nan 8.210 nan 0.000 0.410 475 M N 0.179 119.487 119.600 -0.486 0.000 2.108 475 M HA -0.195 4.286 4.480 0.001 0.000 0.261 475 M C 2.417 178.467 176.300 -0.416 0.000 1.066 475 M CA 1.896 56.956 55.300 -0.401 0.000 1.107 475 M CB -1.126 31.347 32.600 -0.212 0.000 1.356 475 M HN 0.243 nan 8.290 nan 0.000 0.406 476 L N -0.167 120.813 121.223 -0.405 0.000 2.141 476 L HA -0.187 4.154 4.340 0.001 0.000 0.209 476 L C 2.615 179.298 176.870 -0.312 0.000 1.094 476 L CA 1.295 55.906 54.840 -0.381 0.000 0.763 476 L CB -0.759 41.106 42.059 -0.323 0.000 0.908 476 L HN 0.410 nan 8.230 nan 0.000 0.437 477 S N -0.724 114.770 115.700 -0.343 0.000 2.382 477 S HA -0.224 4.247 4.470 0.001 0.000 0.228 477 S C 1.971 176.465 174.600 -0.178 0.000 1.027 477 S CA 0.955 58.994 58.200 -0.269 0.000 0.991 477 S CB -0.784 62.239 63.200 -0.295 0.000 0.823 477 S HN 0.491 nan 8.310 nan 0.000 0.469 478 Y N 1.713 121.896 120.300 -0.194 0.000 2.200 478 Y HA 0.027 4.578 4.550 0.001 0.000 0.290 478 Y C 2.529 178.314 175.900 -0.191 0.000 1.137 478 Y CA 0.730 58.728 58.100 -0.171 0.000 1.163 478 Y CB -0.366 38.188 38.460 0.157 0.000 0.988 478 Y HN 0.219 nan 8.280 nan 0.000 0.518 479 L N -1.320 119.801 121.223 -0.169 0.000 2.056 479 L HA -0.253 4.087 4.340 0.001 0.000 0.207 479 L C 2.326 178.976 176.870 -0.367 0.000 1.078 479 L CA 1.442 55.971 54.840 -0.518 0.000 0.749 479 L CB -0.780 40.658 42.059 -1.034 0.000 0.901 479 L HN 0.270 nan 8.230 nan 0.000 0.433 480 Y N 1.353 121.443 120.300 -0.349 0.000 2.224 480 Y HA -0.295 4.256 4.550 0.001 0.000 0.289 480 Y C 2.697 178.479 175.900 -0.197 0.000 1.146 480 Y CA 1.834 59.785 58.100 -0.249 0.000 1.182 480 Y CB 0.052 38.376 38.460 -0.228 0.000 0.983 480 Y HN -0.008 nan 8.280 nan 0.000 0.524 481 K N 0.850 121.190 120.400 -0.099 0.000 2.103 481 K HA -0.097 4.224 4.320 0.001 0.000 0.204 481 K C 2.192 178.723 176.600 -0.116 0.000 1.052 481 K CA 1.804 57.971 56.287 -0.200 0.000 0.945 481 K CB -0.503 31.649 32.500 -0.580 0.000 0.722 481 K HN 0.419 nan 8.250 nan 0.000 0.443 482 E N 0.489 120.668 120.200 -0.035 0.000 2.051 482 E HA -0.104 4.247 4.350 0.001 0.000 0.192 482 E C 0.138 176.754 176.600 0.027 0.000 0.991 482 E CA 1.758 58.221 56.400 0.106 0.000 0.799 482 E CB -0.468 29.363 29.700 0.217 0.000 0.748 482 E HN 0.582 nan 8.360 nan 0.000 0.449 483 D N -2.689 117.654 120.400 -0.095 0.000 2.871 483 D HA 0.204 4.845 4.640 0.001 0.000 0.209 483 D C -2.403 173.670 176.300 -0.379 0.000 1.292 483 D CA -0.896 53.006 54.000 -0.162 0.000 0.869 483 D CB 2.170 42.934 40.800 -0.061 0.000 1.663 483 D HN -0.125 nan 8.370 nan 0.000 0.557 484 P HA -0.153 nan 4.420 nan 0.000 0.220 484 P C 0.885 177.942 177.300 -0.406 0.000 1.148 484 P CA 0.882 63.434 63.100 -0.913 0.000 0.803 484 P CB 0.229 31.471 31.700 -0.763 0.000 0.782 485 N N -1.147 117.443 118.700 -0.184 0.000 2.171 485 N HA -0.173 4.568 4.740 0.001 0.000 0.184 485 N C 1.885 177.368 175.510 -0.044 0.000 1.021 485 N CA 0.635 53.670 53.050 -0.024 0.000 0.854 485 N CB -0.375 38.194 38.487 0.135 0.000 0.994 485 N HN -0.075 nan 8.380 nan 0.000 0.426 486 Y N 1.829 121.812 120.300 -0.527 0.000 2.049 486 Y HA -0.090 4.461 4.550 0.001 0.000 0.277 486 Y C 2.469 178.152 175.900 -0.360 0.000 1.143 486 Y CA 1.940 59.584 58.100 -0.761 0.000 1.115 486 Y CB -1.127 36.578 38.460 -1.259 0.000 0.975 486 Y HN 0.059 nan 8.280 nan 0.000 0.487 487 G N -1.227 107.410 108.800 -0.272 0.000 2.440 487 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 487 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 487 G C 1.701 176.571 174.900 -0.049 0.000 1.154 487 G CA 1.615 46.586 45.100 -0.216 0.000 0.767 487 G HN 0.461 nan 8.290 nan 0.000 0.552 488 T N 0.522 115.103 114.554 0.045 0.000 2.737 488 T HA -0.067 4.284 4.350 0.001 0.000 0.265 488 T C 2.539 177.244 174.700 0.009 0.000 1.038 488 T CA 1.223 63.363 62.100 0.066 0.000 1.144 488 T CB -0.124 68.800 68.868 0.093 0.000 0.866 488 T HN 0.273 nan 8.240 nan 0.000 0.434 489 R N 0.318 120.830 120.500 0.020 0.000 2.075 489 R HA 0.020 4.361 4.340 0.001 0.000 0.232 489 R C 2.494 178.795 176.300 0.001 0.000 1.126 489 R CA 0.820 56.942 56.100 0.036 0.000 0.963 489 R CB -0.542 29.816 30.300 0.097 0.000 0.858 489 R HN 0.221 nan 8.270 nan 0.000 0.435 490 V N 0.943 120.827 119.914 -0.049 0.000 2.515 490 V HA -0.163 3.958 4.120 0.001 0.000 0.250 490 V C 2.332 178.332 176.094 -0.157 0.000 1.058 490 V CA 1.786 64.007 62.300 -0.130 0.000 1.064 490 V CB -0.525 31.099 31.823 -0.332 0.000 0.675 490 V HN 0.382 nan 8.190 nan 0.000 0.461 491 A N 0.081 122.809 122.820 -0.154 0.000 2.019 491 A HA -0.160 4.161 4.320 0.001 0.000 0.219 491 A C 2.287 179.818 177.584 -0.090 0.000 1.164 491 A CA 2.021 53.974 52.037 -0.141 0.000 0.644 491 A CB -0.541 18.380 19.000 -0.132 0.000 0.805 491 A HN 0.620 nan 8.150 nan 0.000 0.449 492 E N -0.523 119.643 120.200 -0.056 0.000 2.046 492 E HA -0.020 4.330 4.350 0.001 0.000 0.190 492 E C 2.051 178.634 176.600 -0.029 0.000 0.982 492 E CA 1.411 57.791 56.400 -0.033 0.000 0.800 492 E CB -1.180 28.513 29.700 -0.011 0.000 0.756 492 E HN 0.388 nan 8.360 nan 0.000 0.449 493 V N 1.060 120.960 119.914 -0.023 0.000 2.287 493 V HA -0.141 3.980 4.120 0.001 0.000 0.248 493 V C 2.850 178.929 176.094 -0.025 0.000 1.053 493 V CA 1.974 64.268 62.300 -0.010 0.000 1.027 493 V CB -0.737 31.091 31.823 0.010 0.000 0.646 493 V HN 0.648 nan 8.190 nan 0.000 0.447 494 A N -1.613 121.171 122.820 -0.059 0.000 2.208 494 A HA 0.038 4.359 4.320 0.001 0.000 0.209 494 A C 1.096 178.640 177.584 -0.066 0.000 1.161 494 A CA 0.297 52.290 52.037 -0.073 0.000 0.782 494 A CB -0.332 18.585 19.000 -0.137 0.000 0.816 494 A HN 0.584 nan 8.150 nan 0.000 0.477 495 K N -0.708 119.656 120.400 -0.059 0.000 3.244 495 K HA -0.154 4.167 4.320 0.001 0.000 0.270 495 K C 0.577 177.135 176.600 -0.071 0.000 1.016 495 K CA 0.236 56.491 56.287 -0.054 0.000 0.754 495 K CB -2.107 30.372 32.500 -0.035 0.000 1.326 495 K HN 0.637 nan 8.250 nan 0.000 0.465 496 G N 0.584 109.327 108.800 -0.095 0.000 2.557 496 G HA2 0.267 4.228 3.960 0.001 0.000 0.292 496 G HA3 0.267 4.228 3.960 0.001 0.000 0.292 496 G C -0.719 174.119 174.900 -0.103 0.000 1.237 496 G CA -0.326 44.706 45.100 -0.113 0.000 0.978 496 G HN 0.268 nan 8.290 nan 0.000 0.498 497 D N 0.136 120.468 120.400 -0.114 0.000 2.443 497 D HA 0.134 4.775 4.640 0.001 0.000 0.221 497 D C 1.327 177.549 176.300 -0.131 0.000 1.097 497 D CA -0.705 53.232 54.000 -0.105 0.000 0.865 497 D CB 1.312 42.054 40.800 -0.096 0.000 1.034 497 D HN 0.067 nan 8.370 nan 0.000 0.511 498 L N 4.112 125.261 121.223 -0.123 0.000 2.042 498 L HA -0.193 4.148 4.340 0.001 0.000 0.210 498 L C 2.231 178.989 176.870 -0.187 0.000 1.076 498 L CA 2.404 57.152 54.840 -0.154 0.000 0.749 498 L CB -0.686 41.308 42.059 -0.108 0.000 0.893 498 L HN 0.533 nan 8.230 nan 0.000 0.432 499 S N -1.176 114.438 115.700 -0.142 0.000 2.382 499 S HA -0.249 4.221 4.470 0.001 0.000 0.228 499 S C 2.116 176.620 174.600 -0.161 0.000 1.027 499 S CA 1.245 59.359 58.200 -0.142 0.000 0.991 499 S CB -0.492 62.649 63.200 -0.098 0.000 0.823 499 S HN 0.434 nan 8.310 nan 0.000 0.469 500 K N 1.475 121.785 120.400 -0.151 0.000 2.097 500 K HA 0.122 4.443 4.320 0.001 0.000 0.205 500 K C 1.890 178.369 176.600 -0.202 0.000 1.050 500 K CA 1.401 57.597 56.287 -0.152 0.000 0.938 500 K CB -0.968 31.455 32.500 -0.129 0.000 0.718 500 K HN 0.280 nan 8.250 nan 0.000 0.442 501 V N 1.435 121.203 119.914 -0.243 0.000 2.287 501 V HA -0.290 3.831 4.120 0.001 0.000 0.248 501 V C 2.121 177.956 176.094 -0.431 0.000 1.053 501 V CA 2.184 64.293 62.300 -0.319 0.000 1.027 501 V CB -0.422 31.205 31.823 -0.327 0.000 0.646 501 V HN 0.361 nan 8.190 nan 0.000 0.447 502 K N 0.685 120.780 120.400 -0.509 0.000 2.097 502 K HA -0.139 4.182 4.320 0.001 0.000 0.205 502 K C 2.390 178.809 176.600 -0.302 0.000 1.050 502 K CA 1.702 57.647 56.287 -0.571 0.000 0.938 502 K CB -0.344 31.877 32.500 -0.465 0.000 0.718 502 K HN 0.643 nan 8.250 nan 0.000 0.442 503 S N 1.161 116.730 115.700 -0.217 0.000 2.406 503 S HA -0.045 4.426 4.470 0.001 0.000 0.228 503 S C 2.050 176.575 174.600 -0.126 0.000 1.020 503 S CA 0.557 58.673 58.200 -0.141 0.000 0.965 503 S CB -0.442 62.692 63.200 -0.110 0.000 0.798 503 S HN 0.159 nan 8.310 nan 0.000 0.488 504 L N 1.349 122.482 121.223 -0.150 0.000 2.017 504 L HA -0.034 4.307 4.340 0.001 0.000 0.208 504 L C 3.238 180.034 176.870 -0.123 0.000 1.073 504 L CA 1.298 56.060 54.840 -0.130 0.000 0.745 504 L CB -0.868 41.091 42.059 -0.166 0.000 0.894 504 L HN 0.486 nan 8.230 nan 0.000 0.432 505 A N -0.025 122.696 122.820 -0.166 0.000 1.933 505 A HA -0.175 4.146 4.320 0.001 0.000 0.218 505 A C 2.512 180.051 177.584 -0.075 0.000 1.175 505 A CA 1.600 53.561 52.037 -0.126 0.000 0.628 505 A CB -0.664 18.286 19.000 -0.083 0.000 0.814 505 A HN 0.417 nan 8.150 nan 0.000 0.444 506 A N -0.501 122.277 122.820 -0.069 0.000 1.978 506 A HA -0.086 4.235 4.320 0.001 0.000 0.220 506 A C 2.284 179.856 177.584 -0.020 0.000 1.170 506 A CA 2.073 54.089 52.037 -0.034 0.000 0.636 506 A CB -0.619 18.355 19.000 -0.042 0.000 0.810 506 A HN 0.466 nan 8.150 nan 0.000 0.448 507 S N -0.742 114.944 115.700 -0.024 0.000 2.528 507 S HA 0.244 4.715 4.470 0.001 0.000 0.219 507 S C 0.564 175.177 174.600 0.023 0.000 0.985 507 S CA -0.256 57.944 58.200 -0.000 0.000 0.914 507 S CB -0.241 62.959 63.200 -0.001 0.000 0.776 507 S HN 0.458 nan 8.310 nan 0.000 0.526 508 L N 2.643 123.869 121.223 0.005 0.000 2.453 508 L HA 0.169 4.510 4.340 0.001 0.000 0.272 508 L C 0.346 177.263 176.870 0.078 0.000 1.182 508 L CA -0.056 54.807 54.840 0.040 0.000 0.858 508 L CB 0.332 42.322 42.059 -0.114 0.000 1.120 508 L HN -0.028 nan 8.230 nan 0.000 0.474 509 K N 2.406 122.902 120.400 0.159 0.000 2.130 509 K HA 0.282 4.603 4.320 0.001 0.000 0.268 509 K C -0.415 176.324 176.600 0.231 0.000 0.983 509 K CA -0.737 55.639 56.287 0.149 0.000 0.893 509 K CB 1.141 33.710 32.500 0.115 0.000 1.066 509 K HN 0.438 nan 8.250 nan 0.000 0.450 510 D N 0.000 120.508 120.400 0.179 0.000 6.856 510 D HA 0.000 4.641 4.640 0.001 0.000 0.175 510 D CA 0.000 54.124 54.000 0.207 0.000 0.868 510 D CB 0.000 40.880 40.800 0.134 0.000 0.688 510 D HN 0.000 nan 8.370 nan 0.000 0.683