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 1ay5_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.305 176.300 0.008 0.000 1.140 5 M CA 0.000 55.304 55.300 0.008 0.000 0.988 5 M CB 0.000 32.605 32.600 0.008 0.000 1.302 6 L N 1.106 122.334 121.223 0.008 0.000 2.357 6 L HA -0.132 4.208 4.340 -0.000 0.000 0.220 6 L C 2.069 178.944 176.870 0.008 0.000 1.123 6 L CA 1.654 56.499 54.840 0.009 0.000 0.782 6 L CB -1.132 40.932 42.059 0.008 0.000 0.910 6 L HN 0.686 nan 8.230 nan 0.000 0.442 7 G N -0.146 108.658 108.800 0.007 0.000 2.534 7 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 7 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 7 G C 1.172 176.076 174.900 0.006 0.000 1.128 7 G CA 0.402 45.505 45.100 0.006 0.000 0.784 7 G HN 0.427 nan 8.290 nan 0.000 0.542 8 N N -0.168 118.536 118.700 0.008 0.000 2.467 8 N HA 0.131 4.871 4.740 -0.000 0.000 0.184 8 N C 0.425 175.942 175.510 0.011 0.000 1.106 8 N CA -0.145 52.910 53.050 0.009 0.000 0.892 8 N CB 0.089 38.582 38.487 0.009 0.000 0.969 8 N HN 0.230 nan 8.380 nan 0.000 0.454 9 L N 1.665 122.894 121.223 0.011 0.000 2.562 9 L HA 0.028 4.368 4.340 -0.000 0.000 0.271 9 L C 0.333 177.209 176.870 0.011 0.000 1.167 9 L CA 0.177 55.025 54.840 0.013 0.000 0.917 9 L CB 0.305 42.371 42.059 0.012 0.000 1.187 9 L HN 0.042 nan 8.230 nan 0.000 0.482 10 K N 5.597 126.005 120.400 0.014 0.000 2.350 10 K HA 0.213 4.533 4.320 -0.000 0.000 0.279 10 K C -1.956 174.649 176.600 0.007 0.000 1.027 10 K CA -1.424 54.869 56.287 0.011 0.000 0.969 10 K CB 0.237 32.745 32.500 0.014 0.000 0.954 10 K HN 0.390 nan 8.250 nan 0.000 0.474 11 P HA -0.024 nan 4.420 nan 0.000 0.268 11 P C -0.959 176.339 177.300 -0.004 0.000 1.204 11 P CA -0.096 63.004 63.100 -0.001 0.000 0.768 11 P CB 0.782 32.481 31.700 -0.001 0.000 0.842 12 Q N 0.983 120.776 119.800 -0.010 0.000 2.271 12 Q HA 0.506 4.846 4.340 -0.000 0.000 0.258 12 Q C 0.015 176.001 176.000 -0.023 0.000 0.936 12 Q CA -0.602 55.190 55.803 -0.018 0.000 0.909 12 Q CB 2.257 30.976 28.738 -0.032 0.000 1.253 12 Q HN 0.594 nan 8.270 nan 0.000 0.440 13 A N 4.355 127.160 122.820 -0.024 0.000 2.425 13 A HA 0.456 4.776 4.320 -0.000 0.000 0.242 13 A C -1.770 175.793 177.584 -0.035 0.000 1.077 13 A CA -0.695 51.327 52.037 -0.025 0.000 0.781 13 A CB -0.598 18.387 19.000 -0.024 0.000 1.020 13 A HN 0.481 nan 8.150 nan 0.000 0.494 14 P HA 0.183 nan 4.420 nan 0.000 0.272 14 P C -0.564 176.707 177.300 -0.049 0.000 1.240 14 P CA -0.438 62.643 63.100 -0.033 0.000 0.791 14 P CB 0.466 32.157 31.700 -0.016 0.000 0.978 15 D N 1.131 121.497 120.400 -0.057 0.000 2.255 15 D HA 0.010 4.650 4.640 -0.000 0.000 0.249 15 D C 0.818 177.080 176.300 -0.062 0.000 1.078 15 D CA -0.356 53.594 54.000 -0.083 0.000 0.896 15 D CB 1.014 41.756 40.800 -0.096 0.000 1.194 15 D HN 0.140 nan 8.370 nan 0.000 0.429 16 K N 3.130 123.481 120.400 -0.080 0.000 1.988 16 K HA -0.190 4.130 4.320 -0.000 0.000 0.221 16 K C 2.024 178.608 176.600 -0.028 0.000 1.053 16 K CA 1.467 57.720 56.287 -0.055 0.000 0.959 16 K CB -0.515 31.937 32.500 -0.080 0.000 0.728 16 K HN 0.486 nan 8.250 nan 0.000 0.447 17 I N 1.515 122.064 120.570 -0.034 0.000 2.133 17 I HA -0.217 3.953 4.170 -0.000 0.000 0.238 17 I C 2.463 178.588 176.117 0.014 0.000 1.074 17 I CA 1.110 62.413 61.300 0.004 0.000 1.342 17 I CB -0.577 37.444 38.000 0.035 0.000 1.053 17 I HN 0.050 nan 8.210 nan 0.000 0.404 18 L N 0.387 121.613 121.223 0.004 0.000 2.187 18 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 18 L C 2.672 179.550 176.870 0.013 0.000 1.100 18 L CA 1.150 55.995 54.840 0.008 0.000 0.765 18 L CB -0.992 41.065 42.059 -0.004 0.000 0.904 18 L HN 0.313 nan 8.230 nan 0.000 0.437 19 A N 1.288 124.115 122.820 0.012 0.000 1.855 19 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 19 A C 2.222 179.842 177.584 0.059 0.000 1.191 19 A CA 1.792 53.845 52.037 0.027 0.000 0.613 19 A CB -0.670 18.343 19.000 0.021 0.000 0.829 19 A HN 0.442 nan 8.150 nan 0.000 0.442 20 L N -1.917 119.352 121.223 0.077 0.000 2.191 20 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 20 L C 2.278 179.198 176.870 0.084 0.000 1.103 20 L CA 2.347 57.268 54.840 0.135 0.000 0.769 20 L CB -0.720 41.441 42.059 0.170 0.000 0.908 20 L HN 0.424 nan 8.230 nan 0.000 0.438 21 M N 0.198 119.822 119.600 0.040 0.000 2.202 21 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 21 M C 1.923 178.261 176.300 0.062 0.000 1.063 21 M CA 2.082 57.397 55.300 0.024 0.000 1.097 21 M CB -0.446 32.161 32.600 0.013 0.000 1.382 21 M HN 0.505 nan 8.290 nan 0.000 0.413 22 G N 0.270 109.102 108.800 0.054 0.000 2.441 22 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.212 22 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.212 22 G C 1.154 176.085 174.900 0.051 0.000 1.164 22 G CA 0.586 45.713 45.100 0.045 0.000 0.811 22 G HN 0.737 nan 8.290 nan 0.000 0.535 23 E N -0.503 119.750 120.200 0.088 0.000 2.409 23 E HA -0.012 4.338 4.350 -0.000 0.000 0.198 23 E C 0.985 177.651 176.600 0.109 0.000 1.024 23 E CA -0.358 56.121 56.400 0.133 0.000 0.861 23 E CB -0.239 29.589 29.700 0.213 0.000 0.788 23 E HN 0.295 nan 8.360 nan 0.000 0.521 32 K N 1.098 121.588 120.400 0.149 0.000 2.143 32 K HA 0.590 4.910 4.320 -0.000 0.000 0.272 32 K C -0.113 176.711 176.600 0.373 0.000 1.001 32 K CA -0.553 55.916 56.287 0.302 0.000 0.915 32 K CB 2.208 34.883 32.500 0.292 0.000 1.047 32 K HN 0.285 nan 8.250 nan 0.000 0.458 33 I N 2.392 123.184 120.570 0.369 0.000 2.330 33 I HA 0.049 4.219 4.170 -0.000 0.000 0.286 33 I C -0.440 175.766 176.117 0.149 0.000 1.025 33 I CA -0.715 60.715 61.300 0.218 0.000 1.197 33 I CB 1.143 39.224 38.000 0.134 0.000 1.358 33 I HN 0.559 nan 8.210 nan 0.000 0.467 34 D N 7.089 127.429 120.400 -0.101 0.000 2.336 34 D HA 0.232 4.872 4.640 -0.000 0.000 0.249 34 D C -0.165 176.009 176.300 -0.211 0.000 1.213 34 D CA 0.018 53.735 54.000 -0.472 0.000 0.870 34 D CB 1.086 41.315 40.800 -0.952 0.000 1.076 34 D HN 0.274 nan 8.370 nan 0.000 0.483 35 L N 3.823 124.982 121.223 -0.106 0.000 3.288 35 L HA 0.434 4.774 4.340 -0.000 0.000 0.293 35 L C 1.141 178.017 176.870 0.011 0.000 1.294 35 L CA -0.131 54.691 54.840 -0.030 0.000 1.006 35 L CB 1.065 43.132 42.059 0.013 0.000 1.407 35 L HN 0.565 nan 8.230 nan 0.000 0.592 36 G N -1.409 107.367 108.800 -0.039 0.000 2.593 36 G HA2 0.112 4.072 3.960 -0.000 0.000 0.212 36 G HA3 0.112 4.072 3.960 -0.000 0.000 0.212 36 G C 0.115 175.061 174.900 0.076 0.000 1.934 36 G CA 0.065 45.175 45.100 0.017 0.000 0.861 36 G HN -0.091 nan 8.290 nan 0.000 0.629 37 V N 2.183 122.114 119.914 0.027 0.000 2.726 37 V HA 0.343 4.463 4.120 -0.000 0.000 0.304 37 V C 1.320 177.512 176.094 0.164 0.000 1.115 37 V CA 0.597 62.945 62.300 0.080 0.000 1.264 37 V CB 0.638 32.467 31.823 0.010 0.000 0.867 37 V HN 0.623 nan 8.190 nan 0.000 0.498 38 G N 6.027 115.021 108.800 0.324 0.000 2.852 38 G HA2 0.387 4.347 3.960 -0.000 0.000 0.280 38 G HA3 0.387 4.347 3.960 -0.000 0.000 0.280 38 G C -0.497 174.513 174.900 0.185 0.000 0.731 38 G CA 0.329 45.698 45.100 0.449 0.000 2.037 38 G HN 0.916 nan 8.290 nan 0.000 0.560 39 V N 2.982 122.918 119.914 0.036 0.000 2.841 39 V HA 0.581 4.701 4.120 -0.000 0.000 0.310 39 V C -1.124 174.995 176.094 0.041 0.000 1.090 39 V CA -1.370 60.891 62.300 -0.065 0.000 0.930 39 V CB 2.047 33.668 31.823 -0.336 0.000 1.014 39 V HN 0.558 nan 8.190 nan 0.000 0.425 40 Y N 6.138 126.503 120.300 0.108 0.000 2.309 40 Y HA 0.597 5.147 4.550 -0.000 0.000 0.327 40 Y C 0.012 175.973 175.900 0.102 0.000 1.172 40 Y CA -0.048 58.136 58.100 0.140 0.000 1.280 40 Y CB 0.797 39.448 38.460 0.320 0.000 1.234 40 Y HN 0.594 nan 8.280 nan 0.000 0.512 41 K N 4.704 124.546 120.400 -0.931 0.000 2.464 41 K HA 0.253 4.573 4.320 -0.000 0.000 0.253 41 K C -1.292 174.759 176.600 -0.913 0.000 0.933 41 K CA -1.102 54.777 56.287 -0.680 0.000 0.801 41 K CB 1.730 34.036 32.500 -0.322 0.000 1.271 41 K HN 0.734 nan 8.250 nan 0.000 0.430 42 D N 0.661 120.790 120.400 -0.451 0.000 2.433 42 D HA 0.151 4.791 4.640 -0.000 0.000 0.255 42 D C 1.024 177.234 176.300 -0.149 0.000 1.226 42 D CA -0.490 53.390 54.000 -0.201 0.000 1.015 42 D CB 0.404 41.213 40.800 0.014 0.000 1.091 42 D HN 0.459 nan 8.370 nan 0.000 0.527 43 A N -0.327 122.453 122.820 -0.066 0.000 1.997 43 A HA -0.167 4.153 4.320 -0.000 0.000 0.221 43 A C 1.786 179.310 177.584 -0.099 0.000 1.172 43 A CA 2.456 54.455 52.037 -0.064 0.000 0.645 43 A CB -1.400 17.585 19.000 -0.025 0.000 0.813 43 A HN 0.753 nan 8.150 nan 0.000 0.454 44 T N -3.644 110.834 114.554 -0.126 0.000 3.312 44 T HA 0.430 4.780 4.350 -0.000 0.000 0.251 44 T C 1.067 175.498 174.700 -0.448 0.000 1.012 44 T CA 0.729 62.695 62.100 -0.223 0.000 0.925 44 T CB -0.511 68.257 68.868 -0.166 0.000 1.049 44 T HN 1.704 nan 8.240 nan 0.000 0.583 45 G N 1.392 110.012 108.800 -0.300 0.000 2.305 45 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.287 45 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.287 45 G C -0.276 174.465 174.900 -0.264 0.000 1.036 45 G CA 0.211 45.145 45.100 -0.276 0.000 0.887 45 G HN 0.839 nan 8.290 nan 0.000 0.505 46 H N -1.121 117.909 119.070 -0.068 0.000 2.717 46 H HA 0.592 5.148 4.556 -0.000 0.000 0.366 46 H C 0.188 175.490 175.328 -0.043 0.000 1.132 46 H CA -0.307 55.719 56.048 -0.036 0.000 1.180 46 H CB 1.855 31.616 29.762 -0.001 0.000 1.678 46 H HN 0.286 nan 8.280 nan 0.000 0.537 47 T N 2.446 117.078 114.554 0.131 0.000 2.891 47 T HA 0.281 4.631 4.350 -0.000 0.000 0.315 47 T C -2.110 172.711 174.700 0.202 0.000 1.054 47 T CA -1.509 60.679 62.100 0.147 0.000 0.958 47 T CB 0.204 69.131 68.868 0.100 0.000 1.008 47 T HN 0.371 nan 8.240 nan 0.000 0.521 48 P HA 0.430 nan 4.420 nan 0.000 0.276 48 P C -0.300 177.131 177.300 0.218 0.000 1.252 48 P CA -0.779 62.437 63.100 0.194 0.000 0.802 48 P CB 1.092 32.900 31.700 0.181 0.000 1.035 49 I N 1.535 122.213 120.570 0.179 0.000 2.337 49 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 49 I C 1.273 177.497 176.117 0.179 0.000 1.046 49 I CA -0.528 60.886 61.300 0.190 0.000 1.324 49 I CB 0.263 38.377 38.000 0.191 0.000 1.409 49 I HN 0.194 nan 8.210 nan 0.000 0.494 50 M N 5.548 125.259 119.600 0.186 0.000 2.246 50 M HA 0.018 4.498 4.480 -0.000 0.000 0.327 50 M C 1.493 177.891 176.300 0.163 0.000 1.090 50 M CA 0.529 55.931 55.300 0.170 0.000 1.087 50 M CB 0.289 33.009 32.600 0.201 0.000 1.587 50 M HN 0.586 nan 8.290 nan 0.000 0.444 51 R N 1.928 122.506 120.500 0.130 0.000 2.103 51 R HA -0.198 4.142 4.340 -0.000 0.000 0.234 51 R C 2.194 178.582 176.300 0.146 0.000 1.132 51 R CA 2.012 58.180 56.100 0.113 0.000 0.925 51 R CB -0.806 29.539 30.300 0.074 0.000 0.842 51 R HN 0.901 nan 8.270 nan 0.000 0.430 52 A N 0.763 123.674 122.820 0.151 0.000 1.986 52 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 52 A C 2.421 180.073 177.584 0.112 0.000 1.171 52 A CA 1.699 53.820 52.037 0.141 0.000 0.640 52 A CB -0.596 18.517 19.000 0.188 0.000 0.811 52 A HN 0.161 nan 8.150 nan 0.000 0.451 53 V N -0.537 119.456 119.914 0.132 0.000 2.307 53 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 53 V C 2.548 178.692 176.094 0.083 0.000 1.045 53 V CA 2.110 64.462 62.300 0.087 0.000 1.024 53 V CB -0.943 30.951 31.823 0.117 0.000 0.651 53 V HN 0.804 nan 8.190 nan 0.000 0.449 54 H N 0.606 119.706 119.070 0.050 0.000 2.387 54 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 54 H C 2.202 177.549 175.328 0.031 0.000 1.090 54 H CA 1.882 57.957 56.048 0.045 0.000 1.332 54 H CB 0.077 29.870 29.762 0.052 0.000 1.386 54 H HN 0.393 nan 8.280 nan 0.000 0.516 55 A N 0.826 123.758 122.820 0.187 0.000 1.930 55 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 55 A C 2.720 180.318 177.584 0.025 0.000 1.175 55 A CA 1.398 53.507 52.037 0.120 0.000 0.627 55 A CB -0.833 18.231 19.000 0.107 0.000 0.815 55 A HN 0.537 nan 8.150 nan 0.000 0.443 56 A N 0.071 122.888 122.820 -0.005 0.000 1.877 56 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 56 A C 1.912 179.442 177.584 -0.090 0.000 1.186 56 A CA 1.609 53.610 52.037 -0.060 0.000 0.620 56 A CB -0.575 18.366 19.000 -0.099 0.000 0.822 56 A HN 0.604 nan 8.150 nan 0.000 0.443 57 E N -0.361 119.774 120.200 -0.110 0.000 2.110 57 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 57 E C 2.290 178.843 176.600 -0.078 0.000 0.988 57 E CA 1.316 57.657 56.400 -0.098 0.000 0.804 57 E CB -0.200 29.449 29.700 -0.084 0.000 0.745 57 E HN 0.712 nan 8.360 nan 0.000 0.458 58 Q N 0.285 120.020 119.800 -0.107 0.000 2.084 58 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 58 Q C 2.193 178.180 176.000 -0.022 0.000 0.978 58 Q CA 1.092 56.857 55.803 -0.063 0.000 0.844 58 Q CB -0.074 28.649 28.738 -0.025 0.000 0.898 58 Q HN 0.214 nan 8.270 nan 0.000 0.426 59 R N -0.052 120.437 120.500 -0.019 0.000 2.092 59 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 59 R C 2.262 178.557 176.300 -0.009 0.000 1.119 59 R CA 1.081 57.175 56.100 -0.010 0.000 0.970 59 R CB -0.173 30.121 30.300 -0.011 0.000 0.864 59 R HN 0.277 nan 8.270 nan 0.000 0.440 60 M N 0.595 120.184 119.600 -0.018 0.000 2.067 60 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 60 M C 2.352 178.668 176.300 0.027 0.000 1.069 60 M CA 1.601 56.903 55.300 0.003 0.000 1.117 60 M CB -0.324 32.268 32.600 -0.014 0.000 1.334 60 M HN 0.176 nan 8.290 nan 0.000 0.407 61 L N -0.010 121.227 121.223 0.023 0.000 2.129 61 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 61 L C 2.374 179.249 176.870 0.009 0.000 1.087 61 L CA 1.583 56.435 54.840 0.020 0.000 0.757 61 L CB -0.285 41.777 42.059 0.006 0.000 0.896 61 L HN 0.414 nan 8.230 nan 0.000 0.434 62 E N -1.283 118.920 120.200 0.006 0.000 2.170 62 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 62 E C 1.875 178.477 176.600 0.004 0.000 0.981 62 E CA 1.392 57.794 56.400 0.003 0.000 0.830 62 E CB 0.238 29.940 29.700 0.004 0.000 0.775 62 E HN 0.597 nan 8.360 nan 0.000 0.470 63 T N -1.431 113.128 114.554 0.007 0.000 3.010 63 T HA 0.068 4.418 4.350 -0.000 0.000 0.252 63 T C 0.977 175.681 174.700 0.007 0.000 1.047 63 T CA -0.242 61.862 62.100 0.008 0.000 1.140 63 T CB 0.070 68.945 68.868 0.011 0.000 0.885 63 T HN -0.103 nan 8.240 nan 0.000 0.464 67 T N 0.337 114.827 114.554 -0.108 0.000 2.792 67 T HA 0.606 4.956 4.350 -0.000 0.000 0.303 67 T C -1.596 172.976 174.700 -0.213 0.000 1.310 67 T CA -0.618 61.396 62.100 -0.145 0.000 1.007 67 T CB 2.096 70.877 68.868 -0.144 0.000 1.335 67 T HN 0.109 nan 8.240 nan 0.000 0.504 68 K N 1.609 121.867 120.400 -0.237 0.000 2.592 68 K HA 0.247 4.567 4.320 -0.000 0.000 0.203 68 K C 0.054 176.437 176.600 -0.361 0.000 1.070 68 K CA -0.314 55.790 56.287 -0.306 0.000 1.062 68 K CB 0.720 33.082 32.500 -0.231 0.000 0.814 68 K HN 0.682 nan 8.250 nan 0.000 0.502 69 T N 0.529 114.882 114.554 -0.336 0.000 2.724 69 T HA -0.008 4.342 4.350 -0.000 0.000 0.324 69 T C 0.293 174.736 174.700 -0.429 0.000 1.071 69 T CA 0.054 61.930 62.100 -0.374 0.000 1.061 69 T CB 0.269 68.992 68.868 -0.241 0.000 0.990 69 T HN -0.008 nan 8.240 nan 0.000 0.543 70 Y N 0.777 120.849 120.300 -0.380 0.000 2.717 70 Y HA 0.350 4.900 4.550 -0.000 0.000 0.330 70 Y C 0.963 176.520 175.900 -0.571 0.000 1.217 70 Y CA -0.166 57.515 58.100 -0.698 0.000 1.506 70 Y CB -0.460 37.518 38.460 -0.804 0.000 1.268 70 Y HN 0.855 nan 8.280 nan 0.000 0.561 71 A N 3.163 125.731 122.820 -0.421 0.000 3.699 71 A HA 0.753 5.073 4.320 -0.000 0.000 0.167 71 A C 0.764 178.396 177.584 0.081 0.000 1.780 71 A CA 0.047 51.999 52.037 -0.141 0.000 1.483 71 A CB -0.662 18.297 19.000 -0.070 0.000 1.720 71 A HN 0.788 nan 8.150 nan 0.000 0.671 72 G N -1.517 107.430 108.800 0.244 0.000 2.400 72 G HA2 0.456 4.416 3.960 -0.000 0.000 0.301 72 G HA3 0.456 4.416 3.960 -0.000 0.000 0.301 72 G C 0.326 175.523 174.900 0.494 0.000 1.154 72 G CA -0.304 45.007 45.100 0.351 0.000 0.852 72 G HN 0.549 nan 8.290 nan 0.000 0.511 73 L N 1.541 122.946 121.223 0.304 0.000 2.141 73 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 73 L C 2.314 179.230 176.870 0.078 0.000 1.094 73 L CA 1.818 56.667 54.840 0.015 0.000 0.763 73 L CB 0.041 41.993 42.059 -0.178 0.000 0.908 73 L HN 0.415 nan 8.230 nan 0.000 0.437 74 S N -0.187 115.583 115.700 0.118 0.000 2.572 74 S HA 0.602 5.072 4.470 -0.000 0.000 0.228 74 S C 0.554 175.259 174.600 0.175 0.000 0.963 74 S CA 0.233 58.507 58.200 0.123 0.000 0.939 74 S CB -0.178 63.077 63.200 0.093 0.000 0.804 74 S HN 0.759 nan 8.310 nan 0.000 0.480 75 G N 1.585 110.510 108.800 0.207 0.000 2.549 75 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.404 75 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.404 75 G C -1.624 173.403 174.900 0.211 0.000 1.292 75 G CA -0.990 44.242 45.100 0.221 0.000 0.935 75 G HN 0.131 nan 8.290 nan 0.000 0.512 76 E N 1.353 121.681 120.200 0.212 0.000 2.204 76 E HA 0.422 4.772 4.350 -0.000 0.000 0.276 76 E C -1.260 175.443 176.600 0.172 0.000 0.974 76 E CA -1.558 54.951 56.400 0.183 0.000 0.815 76 E CB 1.912 31.711 29.700 0.165 0.000 1.119 76 E HN 0.256 nan 8.360 nan 0.000 0.393 77 P HA -0.241 nan 4.420 nan 0.000 0.216 77 P C 1.157 178.497 177.300 0.066 0.000 1.153 77 P CA 1.389 64.538 63.100 0.081 0.000 0.858 77 P CB 0.535 32.274 31.700 0.064 0.000 0.789 78 E N -1.333 118.911 120.200 0.075 0.000 2.110 78 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 78 E C 1.924 178.563 176.600 0.065 0.000 0.988 78 E CA 0.716 57.147 56.400 0.051 0.000 0.804 78 E CB -0.424 29.301 29.700 0.043 0.000 0.745 78 E HN 0.095 nan 8.360 nan 0.000 0.458 79 F N 1.649 121.556 119.950 -0.071 0.000 2.128 79 F HA -0.111 4.416 4.527 0.000 0.000 0.295 79 F C 2.185 177.942 175.800 -0.071 0.000 1.100 79 F CA 1.595 59.532 58.000 -0.105 0.000 1.260 79 F CB -0.317 38.612 39.000 -0.120 0.000 1.009 79 F HN -0.004 nan 8.300 nan 0.000 0.476 80 Q N 0.204 119.948 119.800 -0.093 0.000 2.096 80 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 80 Q C 2.258 178.158 176.000 -0.167 0.000 0.982 80 Q CA 2.081 57.779 55.803 -0.176 0.000 0.850 80 Q CB -0.365 28.361 28.738 -0.020 0.000 0.901 80 Q HN 0.433 nan 8.270 nan 0.000 0.422 81 K N 0.572 120.917 120.400 -0.092 0.000 2.025 81 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 81 K C 2.114 178.657 176.600 -0.095 0.000 1.049 81 K CA 1.078 57.322 56.287 -0.070 0.000 0.933 81 K CB -0.163 32.319 32.500 -0.030 0.000 0.714 81 K HN 0.167 nan 8.250 nan 0.000 0.438 82 A N 1.222 123.973 122.820 -0.115 0.000 1.858 82 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 82 A C 2.153 179.642 177.584 -0.158 0.000 1.190 82 A CA 1.681 53.650 52.037 -0.114 0.000 0.617 82 A CB -0.499 18.436 19.000 -0.108 0.000 0.827 82 A HN 0.308 nan 8.150 nan 0.000 0.443 83 M N -0.398 119.018 119.600 -0.307 0.000 2.159 83 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 83 M C 2.270 178.465 176.300 -0.177 0.000 1.063 83 M CA 1.445 56.557 55.300 -0.314 0.000 1.110 83 M CB -1.871 30.366 32.600 -0.605 0.000 1.374 83 M HN 0.498 nan 8.290 nan 0.000 0.411 84 G N -0.252 108.452 108.800 -0.160 0.000 2.408 84 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 84 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 84 G C 1.500 176.365 174.900 -0.057 0.000 1.150 84 G CA 0.504 45.548 45.100 -0.094 0.000 0.776 84 G HN 0.532 nan 8.290 nan 0.000 0.542 85 E N -0.324 119.846 120.200 -0.051 0.000 2.152 85 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 85 E C 2.354 178.951 176.600 -0.004 0.000 0.983 85 E CA 0.403 56.789 56.400 -0.023 0.000 0.818 85 E CB -0.097 29.593 29.700 -0.017 0.000 0.758 85 E HN 0.352 nan 8.360 nan 0.000 0.467 86 L N 1.225 122.449 121.223 0.001 0.000 1.994 86 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 86 L C 2.021 178.911 176.870 0.034 0.000 1.071 86 L CA 1.632 56.501 54.840 0.049 0.000 0.745 86 L CB -0.242 41.867 42.059 0.083 0.000 0.892 86 L HN 0.061 nan 8.230 nan 0.000 0.431 87 I N -1.058 119.515 120.570 0.005 0.000 2.193 87 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 87 I C 1.936 178.042 176.117 -0.019 0.000 1.084 87 I CA 1.314 62.612 61.300 -0.004 0.000 1.365 87 I CB -0.197 37.792 38.000 -0.018 0.000 1.064 87 I HN 0.177 nan 8.210 nan 0.000 0.410 88 L N 0.155 121.363 121.223 -0.025 0.000 2.607 88 L HA 0.291 4.631 4.340 -0.000 0.000 0.228 88 L C 1.465 178.321 176.870 -0.023 0.000 1.123 88 L CA 0.074 54.897 54.840 -0.029 0.000 0.890 88 L CB -0.592 41.450 42.059 -0.029 0.000 1.103 88 L HN 0.442 nan 8.230 nan 0.000 0.468 89 G N 1.282 110.073 108.800 -0.015 0.000 2.627 89 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.312 89 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.312 89 G C 0.205 175.098 174.900 -0.012 0.000 1.299 89 G CA 0.746 45.840 45.100 -0.010 0.000 0.989 89 G HN 0.401 nan 8.290 nan 0.000 0.547 90 D N 1.733 122.126 120.400 -0.011 0.000 2.338 90 D HA 0.419 5.059 4.640 -0.000 0.000 0.239 90 D C 1.264 177.557 176.300 -0.012 0.000 1.095 90 D CA 1.067 55.061 54.000 -0.010 0.000 0.888 90 D CB -0.080 40.715 40.800 -0.008 0.000 0.899 90 D HN 0.661 nan 8.370 nan 0.000 0.525 96 K N 2.771 123.165 120.400 -0.010 0.000 2.142 96 K HA 0.337 4.657 4.320 -0.000 0.000 0.250 96 K C 1.254 177.851 176.600 -0.006 0.000 1.148 96 K CA 0.137 56.420 56.287 -0.006 0.000 1.040 96 K CB 0.541 33.038 32.500 -0.004 0.000 1.569 96 K HN 0.682 nan 8.250 nan 0.000 0.361 97 S N 1.938 117.634 115.700 -0.007 0.000 2.381 97 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 97 S C 1.753 176.352 174.600 -0.001 0.000 1.052 97 S CA 1.798 59.995 58.200 -0.005 0.000 1.068 97 S CB -0.148 63.049 63.200 -0.005 0.000 0.918 97 S HN 0.743 nan 8.310 nan 0.000 0.448 98 E N 1.732 121.932 120.200 -0.000 0.000 2.401 98 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 98 E C 1.020 177.621 176.600 0.002 0.000 1.023 98 E CA 1.527 57.928 56.400 0.002 0.000 0.859 98 E CB -0.771 28.930 29.700 0.002 0.000 0.780 98 E HN 0.714 nan 8.360 nan 0.000 0.523 99 T N -2.688 111.866 114.554 0.001 0.000 3.231 99 T HA 0.241 4.591 4.350 -0.000 0.000 0.292 99 T C 0.140 174.841 174.700 0.003 0.000 1.001 99 T CA -0.505 61.596 62.100 0.002 0.000 0.920 99 T CB 0.319 69.188 68.868 0.002 0.000 1.140 99 T HN -0.074 nan 8.240 nan 0.000 0.525 100 T N 2.484 117.038 114.554 0.001 0.000 2.807 100 T HA 0.761 5.111 4.350 -0.000 0.000 0.279 100 T C -0.410 174.292 174.700 0.003 0.000 0.993 100 T CA -0.568 61.532 62.100 -0.000 0.000 0.970 100 T CB 1.599 70.462 68.868 -0.007 0.000 0.950 100 T HN 0.461 nan 8.240 nan 0.000 0.441 101 A N 2.873 125.697 122.820 0.007 0.000 2.317 101 A HA 0.780 5.100 4.320 -0.000 0.000 0.327 101 A C 0.077 177.668 177.584 0.012 0.000 1.178 101 A CA -0.656 51.389 52.037 0.014 0.000 0.817 101 A CB 0.644 19.655 19.000 0.020 0.000 1.189 101 A HN 0.725 nan 8.150 nan 0.000 0.489 102 T N 2.930 117.493 114.554 0.016 0.000 2.841 102 T HA 0.594 4.943 4.350 -0.000 0.000 0.283 102 T C -0.916 173.813 174.700 0.048 0.000 1.000 102 T CA -0.432 61.676 62.100 0.013 0.000 0.977 102 T CB 1.214 70.072 68.868 -0.017 0.000 0.979 102 T HN 0.549 nan 8.240 nan 0.000 0.446 103 L N 2.673 123.934 121.223 0.065 0.000 2.406 103 L HA 0.711 5.051 4.340 -0.000 0.000 0.272 103 L C -0.350 176.614 176.870 0.158 0.000 0.980 103 L CA -0.825 54.078 54.840 0.105 0.000 0.831 103 L CB 1.270 43.383 42.059 0.089 0.000 1.253 103 L HN 0.873 nan 8.230 nan 0.000 0.406 104 A N 3.407 126.361 122.820 0.223 0.000 2.401 104 A HA 0.637 4.957 4.320 -0.000 0.000 0.259 104 A C 0.284 178.001 177.584 0.222 0.000 1.103 104 A CA 0.108 52.330 52.037 0.309 0.000 0.789 104 A CB 0.430 19.604 19.000 0.289 0.000 1.035 104 A HN 0.781 nan 8.150 nan 0.000 0.491 105 T N -1.820 112.849 114.554 0.192 0.000 2.864 105 T HA 0.540 4.890 4.350 -0.000 0.000 0.289 105 T C -0.570 174.162 174.700 0.053 0.000 1.082 105 T CA -0.678 61.523 62.100 0.167 0.000 1.009 105 T CB 0.998 69.967 68.868 0.168 0.000 1.234 105 T HN 0.584 nan 8.240 nan 0.000 0.526 106 V N 2.236 122.148 119.914 -0.002 0.000 2.276 106 V HA 0.568 4.688 4.120 -0.000 0.000 0.249 106 V C 1.378 177.468 176.094 -0.006 0.000 1.160 106 V CA 0.661 62.904 62.300 -0.094 0.000 1.042 106 V CB -0.998 30.684 31.823 -0.235 0.000 1.224 106 V HN 1.503 nan 8.190 nan 0.000 0.496 107 G N 4.228 113.029 108.800 0.002 0.000 2.855 107 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.352 107 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.352 107 G C 0.842 175.763 174.900 0.035 0.000 1.415 107 G CA -0.197 44.913 45.100 0.016 0.000 0.871 107 G HN 1.012 nan 8.290 nan 0.000 0.543 108 G N -1.452 107.351 108.800 0.004 0.000 2.422 108 G HA2 0.063 4.023 3.960 -0.000 0.000 0.218 108 G HA3 0.063 4.023 3.960 -0.000 0.000 0.218 108 G C 1.861 176.786 174.900 0.042 0.000 1.140 108 G CA 2.290 47.386 45.100 -0.007 0.000 0.775 108 G HN 1.222 nan 8.290 nan 0.000 0.545 109 T N 1.002 115.603 114.554 0.078 0.000 2.720 109 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 109 T C 2.492 177.289 174.700 0.162 0.000 1.037 109 T CA 1.497 63.711 62.100 0.189 0.000 1.144 109 T CB -0.513 68.503 68.868 0.246 0.000 0.864 109 T HN 0.352 nan 8.240 nan 0.000 0.444 110 G N 0.901 109.780 108.800 0.131 0.000 2.408 110 G HA2 0.000 3.960 3.960 -0.000 0.000 0.217 110 G HA3 0.000 3.960 3.960 -0.000 0.000 0.217 110 G C 1.818 176.809 174.900 0.151 0.000 1.150 110 G CA 0.838 46.030 45.100 0.153 0.000 0.776 110 G HN 0.579 nan 8.290 nan 0.000 0.542 111 A N 0.561 123.456 122.820 0.125 0.000 1.902 111 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 111 A C 2.424 180.079 177.584 0.118 0.000 1.181 111 A CA 1.240 53.344 52.037 0.113 0.000 0.623 111 A CB -0.377 18.675 19.000 0.086 0.000 0.818 111 A HN 0.358 nan 8.150 nan 0.000 0.443 112 L N -1.398 119.908 121.223 0.139 0.000 2.027 112 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 112 L C 2.896 179.860 176.870 0.157 0.000 1.074 112 L CA 1.219 56.160 54.840 0.167 0.000 0.745 112 L CB -0.477 41.730 42.059 0.246 0.000 0.898 112 L HN 0.276 nan 8.230 nan 0.000 0.433 113 R N 0.121 120.716 120.500 0.159 0.000 2.080 113 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 113 R C 2.277 178.648 176.300 0.119 0.000 1.137 113 R CA 1.704 57.891 56.100 0.145 0.000 0.943 113 R CB -0.530 29.860 30.300 0.151 0.000 0.846 113 R HN 0.290 nan 8.270 nan 0.000 0.431 114 Q N -0.238 119.631 119.800 0.115 0.000 2.135 114 Q HA -0.034 4.306 4.340 -0.000 0.000 0.204 114 Q C 1.918 177.968 176.000 0.085 0.000 0.981 114 Q CA 2.097 57.955 55.803 0.090 0.000 0.856 114 Q CB -0.384 28.411 28.738 0.095 0.000 0.902 114 Q HN 0.412 nan 8.270 nan 0.000 0.425 115 A N -0.481 122.395 122.820 0.093 0.000 1.902 115 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 115 A C 1.807 179.441 177.584 0.083 0.000 1.181 115 A CA 1.252 53.340 52.037 0.085 0.000 0.623 115 A CB -0.543 18.511 19.000 0.091 0.000 0.818 115 A HN 0.359 nan 8.150 nan 0.000 0.443 116 L N -0.076 121.202 121.223 0.092 0.000 2.093 116 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 116 L C 2.427 179.339 176.870 0.070 0.000 1.085 116 L CA 1.604 56.496 54.840 0.085 0.000 0.755 116 L CB -0.899 41.219 42.059 0.098 0.000 0.904 116 L HN 0.384 nan 8.230 nan 0.000 0.435 117 E N -0.835 119.407 120.200 0.071 0.000 2.072 117 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 117 E C 2.190 178.827 176.600 0.061 0.000 0.985 117 E CA 0.812 57.249 56.400 0.061 0.000 0.801 117 E CB -0.324 29.413 29.700 0.061 0.000 0.750 117 E HN 0.273 nan 8.360 nan 0.000 0.452 118 L N 1.158 122.419 121.223 0.063 0.000 1.994 118 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 118 L C 2.275 179.173 176.870 0.047 0.000 1.071 118 L CA 2.183 57.057 54.840 0.057 0.000 0.745 118 L CB -0.765 41.328 42.059 0.057 0.000 0.892 118 L HN 0.037 nan 8.230 nan 0.000 0.431 119 A N -0.473 122.378 122.820 0.051 0.000 1.877 119 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 119 A C 2.543 180.151 177.584 0.040 0.000 1.186 119 A CA 1.931 53.997 52.037 0.047 0.000 0.620 119 A CB -0.708 18.327 19.000 0.058 0.000 0.822 119 A HN 0.515 nan 8.150 nan 0.000 0.443 120 R N -0.956 119.568 120.500 0.041 0.000 2.096 120 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 120 R C 2.158 178.472 176.300 0.023 0.000 1.127 120 R CA 1.710 57.828 56.100 0.031 0.000 0.968 120 R CB -0.310 30.006 30.300 0.028 0.000 0.861 120 R HN 0.572 nan 8.270 nan 0.000 0.440 121 M N -0.374 119.242 119.600 0.026 0.000 2.117 121 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 121 M C 2.369 178.672 176.300 0.005 0.000 1.065 121 M CA 1.921 57.229 55.300 0.014 0.000 1.114 121 M CB -0.172 32.438 32.600 0.017 0.000 1.361 121 M HN 0.311 nan 8.290 nan 0.000 0.408 122 A N -0.341 122.486 122.820 0.011 0.000 2.014 122 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 122 A C 0.870 178.461 177.584 0.011 0.000 1.163 122 A CA 1.217 53.258 52.037 0.008 0.000 0.652 122 A CB -0.235 18.774 19.000 0.014 0.000 0.808 122 A HN 0.504 nan 8.150 nan 0.000 0.449 123 N N -1.476 117.235 118.700 0.017 0.000 2.685 123 N HA 0.314 5.054 4.740 -0.000 0.000 0.252 123 N C -2.765 172.756 175.510 0.019 0.000 1.261 123 N CA -1.680 51.382 53.050 0.019 0.000 0.768 123 N CB 1.266 39.770 38.487 0.028 0.000 1.304 123 N HN -0.206 nan 8.380 nan 0.000 0.536 124 P HA -0.025 nan 4.420 nan 0.000 0.221 124 P C -0.415 176.891 177.300 0.010 0.000 1.145 124 P CA 1.144 64.249 63.100 0.008 0.000 0.795 124 P CB 0.269 31.971 31.700 0.002 0.000 0.775 125 D N -0.627 119.782 120.400 0.015 0.000 2.738 125 D HA 0.130 4.770 4.640 -0.000 0.000 0.246 125 D C 0.568 176.885 176.300 0.028 0.000 1.270 125 D CA -0.071 53.939 54.000 0.017 0.000 0.833 125 D CB -0.004 40.806 40.800 0.016 0.000 1.040 125 D HN 0.152 nan 8.370 nan 0.000 0.487 134 F N 4.285 124.307 119.950 0.120 0.000 2.361 134 F HA 0.696 5.223 4.527 -0.000 0.000 0.364 134 F C 0.443 176.385 175.800 0.238 0.000 1.120 134 F CA -0.613 57.508 58.000 0.202 0.000 1.102 134 F CB 1.759 40.921 39.000 0.271 0.000 1.183 134 F HN 0.451 nan 8.300 nan 0.000 0.476 135 V N 0.315 120.321 119.914 0.153 0.000 2.975 135 V HA 0.780 4.900 4.120 -0.000 0.000 0.318 135 V C 0.038 175.763 176.094 -0.615 0.000 1.077 135 V CA -1.025 61.238 62.300 -0.060 0.000 1.000 135 V CB 1.452 33.242 31.823 -0.055 0.000 1.066 135 V HN 0.672 nan 8.190 nan 0.000 0.452 136 S N 0.695 115.979 115.700 -0.694 0.000 2.592 136 S HA 0.398 4.868 4.470 -0.000 0.000 0.271 136 S C -0.375 174.011 174.600 -0.357 0.000 1.326 136 S CA -0.251 57.378 58.200 -0.951 0.000 1.024 136 S CB 1.014 63.912 63.200 -0.503 0.000 0.921 136 S HN 1.049 nan 8.310 nan 0.000 0.527 137 D N 2.227 122.502 120.400 -0.209 0.000 2.473 137 D HA 0.479 5.119 4.640 -0.000 0.000 0.226 137 D C -1.990 174.375 176.300 0.108 0.000 1.089 137 D CA -1.859 52.131 54.000 -0.017 0.000 0.883 137 D CB 1.040 41.853 40.800 0.023 0.000 1.029 137 D HN 0.331 nan 8.370 nan 0.000 0.517 138 P HA 0.417 nan 4.420 nan 0.000 0.332 138 P C -0.557 176.784 177.300 0.069 0.000 1.298 138 P CA -0.427 62.697 63.100 0.040 0.000 0.755 138 P CB 1.657 33.365 31.700 0.012 0.000 1.465 139 T N -2.842 111.756 114.554 0.074 0.000 2.733 139 T HA 0.264 4.614 4.350 -0.000 0.000 0.312 139 T C -2.038 172.805 174.700 0.239 0.000 1.590 139 T CA -0.485 61.720 62.100 0.176 0.000 1.005 139 T CB -0.083 68.954 68.868 0.282 0.000 1.528 139 T HN 0.346 nan 8.240 nan 0.000 0.496 140 W N 4.346 125.747 121.300 0.167 0.000 2.520 140 W HA 0.260 4.920 4.660 -0.000 0.000 0.337 140 W C -2.073 174.418 176.519 -0.048 0.000 1.406 140 W CA -1.255 56.065 57.345 -0.042 0.000 1.318 140 W CB 0.158 29.468 29.460 -0.249 0.000 1.338 140 W HN 0.585 nan 8.180 nan 0.000 0.570 141 P HA -0.317 nan 4.420 nan 0.000 0.217 141 P C 1.413 178.408 177.300 -0.510 0.000 1.151 141 P CA 2.212 65.107 63.100 -0.342 0.000 0.849 141 P CB 0.211 31.722 31.700 -0.315 0.000 0.787 142 N N -1.801 116.248 118.700 -1.084 0.000 2.443 142 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 142 N C 1.473 176.651 175.510 -0.554 0.000 1.037 142 N CA 0.954 53.399 53.050 -1.008 0.000 0.896 142 N CB -0.587 36.885 38.487 -1.692 0.000 0.959 142 N HN 0.333 nan 8.380 nan 0.000 0.442 143 H N -1.615 117.267 119.070 -0.312 0.000 2.321 143 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 143 H C 1.773 177.077 175.328 -0.040 0.000 1.087 143 H CA 1.584 57.620 56.048 -0.020 0.000 1.319 143 H CB 0.307 30.130 29.762 0.101 0.000 1.379 143 H HN 0.028 nan 8.280 nan 0.000 0.501 144 V N 0.468 120.416 119.914 0.056 0.000 2.488 144 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 144 V C 2.413 178.502 176.094 -0.008 0.000 1.046 144 V CA 1.547 63.858 62.300 0.018 0.000 1.053 144 V CB -0.324 31.496 31.823 -0.006 0.000 0.679 144 V HN 0.546 nan 8.190 nan 0.000 0.458 145 S N 0.873 116.532 115.700 -0.068 0.000 2.348 145 S HA -0.189 4.281 4.470 -0.000 0.000 0.221 145 S C 1.990 176.599 174.600 0.014 0.000 1.033 145 S CA 1.696 59.861 58.200 -0.058 0.000 1.010 145 S CB -0.714 62.402 63.200 -0.139 0.000 0.891 145 S HN 0.509 nan 8.310 nan 0.000 0.442 146 I N 1.464 122.037 120.570 0.005 0.000 2.163 146 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 146 I C 2.818 179.030 176.117 0.159 0.000 1.085 146 I CA 1.730 63.092 61.300 0.103 0.000 1.347 146 I CB -0.444 37.609 38.000 0.090 0.000 1.044 146 I HN 0.291 nan 8.210 nan 0.000 0.408 147 M N 0.227 119.889 119.600 0.104 0.000 2.117 147 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 147 M C 2.007 178.347 176.300 0.067 0.000 1.065 147 M CA 1.724 57.073 55.300 0.081 0.000 1.114 147 M CB -0.473 32.164 32.600 0.061 0.000 1.361 147 M HN 0.248 nan 8.290 nan 0.000 0.408 148 N N 0.213 118.955 118.700 0.070 0.000 2.120 148 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 148 N C 1.498 177.066 175.510 0.097 0.000 1.024 148 N CA 1.230 54.316 53.050 0.061 0.000 0.852 148 N CB -0.597 37.920 38.487 0.051 0.000 1.003 148 N HN 0.257 nan 8.380 nan 0.000 0.424 149 F N 1.461 121.403 119.950 -0.013 0.000 2.126 149 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 149 F C 2.104 177.904 175.800 -0.001 0.000 1.096 149 F CA 1.268 59.263 58.000 -0.009 0.000 1.255 149 F CB -0.266 38.728 39.000 -0.010 0.000 0.997 149 F HN -0.037 nan 8.300 nan 0.000 0.479 150 M N -0.621 118.933 119.600 -0.077 0.000 2.492 150 M HA 0.129 4.609 4.480 -0.000 0.000 0.262 150 M C 1.525 177.752 176.300 -0.122 0.000 1.090 150 M CA 1.101 56.306 55.300 -0.158 0.000 1.110 150 M CB -0.459 32.130 32.600 -0.018 0.000 1.407 150 M HN 0.364 nan 8.290 nan 0.000 0.470 151 G N 1.041 109.797 108.800 -0.072 0.000 2.137 151 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.237 151 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.237 151 G C -0.193 174.690 174.900 -0.030 0.000 1.002 151 G CA -0.370 44.698 45.100 -0.053 0.000 0.702 151 G HN 0.241 nan 8.290 nan 0.000 0.515 155 V N 2.698 122.566 119.914 -0.077 0.000 2.481 155 V HA 0.489 4.608 4.120 -0.000 0.000 0.286 155 V C 0.206 176.200 176.094 -0.168 0.000 1.042 155 V CA -0.263 61.976 62.300 -0.102 0.000 0.928 155 V CB 1.744 33.535 31.823 -0.054 0.000 0.986 155 V HN 0.510 nan 8.190 nan 0.000 0.462 156 Q N 2.287 121.923 119.800 -0.273 0.000 2.356 156 Q HA 0.515 4.855 4.340 -0.000 0.000 0.270 156 Q C -0.280 175.611 176.000 -0.182 0.000 1.058 156 Q CA -0.476 55.113 55.803 -0.358 0.000 0.802 156 Q CB 2.713 30.881 28.738 -0.951 0.000 1.303 156 Q HN 0.972 nan 8.270 nan 0.000 0.444 157 T N -1.039 113.474 114.554 -0.068 0.000 2.936 157 T HA 0.740 5.090 4.350 -0.000 0.000 0.282 157 T C -0.533 174.254 174.700 0.145 0.000 1.003 157 T CA -0.560 61.524 62.100 -0.027 0.000 1.005 157 T CB 0.810 69.647 68.868 -0.051 0.000 1.097 157 T HN 0.486 nan 8.240 nan 0.000 0.532 158 Y N -1.860 118.534 120.300 0.156 0.000 2.470 158 Y HA 0.677 5.227 4.550 -0.000 0.000 0.341 158 Y C -0.341 175.644 175.900 0.143 0.000 1.021 158 Y CA -1.751 56.446 58.100 0.163 0.000 1.025 158 Y CB 1.077 39.654 38.460 0.195 0.000 1.266 158 Y HN 0.666 nan 8.280 nan 0.000 0.448 159 R N 2.302 122.986 120.500 0.308 0.000 2.538 159 R HA 0.069 4.409 4.340 -0.000 0.000 0.282 159 R C -0.819 175.688 176.300 0.344 0.000 1.009 159 R CA 0.646 56.881 56.100 0.225 0.000 1.063 159 R CB 0.223 30.597 30.300 0.123 0.000 0.945 159 R HN 0.960 nan 8.270 nan 0.000 0.414 160 Y N 2.772 123.153 120.300 0.135 0.000 2.965 160 Y HA 0.204 4.754 4.550 -0.000 0.000 0.242 160 Y C -0.428 175.526 175.900 0.090 0.000 1.078 160 Y CA -0.356 57.817 58.100 0.122 0.000 1.288 160 Y CB 0.405 38.907 38.460 0.070 0.000 1.459 160 Y HN 0.475 nan 8.280 nan 0.000 0.438 161 F N 2.655 122.640 119.950 0.059 0.000 2.384 161 F HA 0.355 4.882 4.527 -0.000 0.000 0.338 161 F C -0.346 175.428 175.800 -0.044 0.000 1.103 161 F CA -0.748 57.232 58.000 -0.033 0.000 1.157 161 F CB 0.756 39.783 39.000 0.046 0.000 1.167 161 F HN 0.028 nan 8.300 nan 0.000 0.529 162 D N 4.516 124.437 120.400 -0.799 0.000 2.464 162 D HA 0.301 4.941 4.640 -0.000 0.000 0.243 162 D C 0.656 176.455 176.300 -0.835 0.000 1.104 162 D CA -0.078 53.583 54.000 -0.564 0.000 0.883 162 D CB 1.497 42.062 40.800 -0.392 0.000 1.050 162 D HN 0.717 nan 8.370 nan 0.000 0.524 163 A N 3.560 126.101 122.820 -0.466 0.000 2.139 163 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 163 A C 1.778 179.240 177.584 -0.202 0.000 1.159 163 A CA 1.452 53.359 52.037 -0.216 0.000 0.662 163 A CB -0.203 18.824 19.000 0.045 0.000 0.796 163 A HN 0.690 nan 8.150 nan 0.000 0.463 164 E N -0.396 119.672 120.200 -0.220 0.000 2.038 164 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 164 E C 2.005 178.503 176.600 -0.171 0.000 0.967 164 E CA 1.441 57.752 56.400 -0.147 0.000 0.816 164 E CB -0.200 29.435 29.700 -0.108 0.000 0.784 164 E HN 0.591 nan 8.360 nan 0.000 0.456 165 T N -1.698 112.733 114.554 -0.204 0.000 3.085 165 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 165 T C 0.927 175.505 174.700 -0.203 0.000 1.127 165 T CA 0.609 62.614 62.100 -0.159 0.000 1.103 165 T CB -0.090 68.695 68.868 -0.137 0.000 0.921 165 T HN 0.194 nan 8.240 nan 0.000 0.510 166 R N 0.138 120.396 120.500 -0.403 0.000 3.953 166 R HA -0.100 4.240 4.340 -0.000 0.000 0.340 166 R C 0.592 176.791 176.300 -0.167 0.000 1.195 166 R CA 0.836 56.679 56.100 -0.427 0.000 0.929 166 R CB -1.878 28.128 30.300 -0.489 0.000 1.402 166 R HN 0.781 nan 8.270 nan 0.000 0.540 167 G N -2.026 106.571 108.800 -0.339 0.000 3.119 167 G HA2 0.602 4.562 3.960 -0.000 0.000 0.206 167 G HA3 0.602 4.562 3.960 -0.000 0.000 0.206 167 G C -0.921 173.793 174.900 -0.310 0.000 1.313 167 G CA -0.189 44.818 45.100 -0.155 0.000 1.010 167 G HN 0.059 nan 8.290 nan 0.000 0.578 168 V N 0.951 120.705 119.914 -0.266 0.000 2.383 168 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 168 V C -0.426 175.526 176.094 -0.235 0.000 1.036 168 V CA -0.341 61.722 62.300 -0.396 0.000 0.889 168 V CB 1.401 32.902 31.823 -0.537 0.000 0.985 168 V HN 0.707 nan 8.190 nan 0.000 0.459 169 D N 3.640 123.914 120.400 -0.210 0.000 2.608 169 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 169 D C 0.885 177.165 176.300 -0.033 0.000 1.123 169 D CA -0.131 53.809 54.000 -0.100 0.000 1.030 169 D CB -0.102 40.648 40.800 -0.083 0.000 1.093 169 D HN 0.414 nan 8.370 nan 0.000 0.497 170 F N 2.024 121.871 119.950 -0.172 0.000 2.126 170 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 170 F C 1.903 177.646 175.800 -0.095 0.000 1.096 170 F CA 1.425 59.337 58.000 -0.146 0.000 1.255 170 F CB 0.197 39.113 39.000 -0.140 0.000 0.997 170 F HN 0.270 nan 8.300 nan 0.000 0.479 171 E N 0.012 120.159 120.200 -0.089 0.000 2.085 171 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 171 E C 2.568 179.069 176.600 -0.165 0.000 0.994 171 E CA 1.250 57.557 56.400 -0.155 0.000 0.801 171 E CB -1.332 28.334 29.700 -0.056 0.000 0.743 171 E HN 0.511 nan 8.360 nan 0.000 0.453 172 G N 0.977 109.717 108.800 -0.100 0.000 2.408 172 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 172 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 172 G C 1.643 176.508 174.900 -0.058 0.000 1.150 172 G CA 0.828 45.895 45.100 -0.056 0.000 0.776 172 G HN 0.199 nan 8.290 nan 0.000 0.542 173 M N 0.196 119.739 119.600 -0.096 0.000 2.086 173 M HA -0.003 4.477 4.480 -0.000 0.000 0.261 173 M C 2.530 178.677 176.300 -0.255 0.000 1.067 173 M CA 1.563 56.806 55.300 -0.095 0.000 1.116 173 M CB -0.121 32.424 32.600 -0.091 0.000 1.348 173 M HN 0.081 nan 8.290 nan 0.000 0.407 174 K N 0.130 120.274 120.400 -0.427 0.000 2.097 174 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 174 K C 2.025 178.485 176.600 -0.234 0.000 1.049 174 K CA 1.345 57.387 56.287 -0.409 0.000 0.933 174 K CB -0.321 31.857 32.500 -0.536 0.000 0.717 174 K HN 0.456 nan 8.250 nan 0.000 0.442 175 A N 2.197 124.912 122.820 -0.175 0.000 1.883 175 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 175 A C 1.739 179.291 177.584 -0.053 0.000 1.186 175 A CA 1.967 53.948 52.037 -0.095 0.000 0.624 175 A CB -0.423 18.539 19.000 -0.063 0.000 0.822 175 A HN 0.193 nan 8.150 nan 0.000 0.444 176 D N -0.031 120.358 120.400 -0.020 0.000 2.117 176 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 176 D C 1.990 178.292 176.300 0.003 0.000 0.982 176 D CA 0.883 54.921 54.000 0.064 0.000 0.828 176 D CB -0.316 40.592 40.800 0.179 0.000 0.967 176 D HN 0.406 nan 8.370 nan 0.000 0.464 177 L N 0.846 121.986 121.223 -0.139 0.000 2.201 177 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 177 L C 2.457 179.169 176.870 -0.264 0.000 1.105 177 L CA 0.674 55.333 54.840 -0.302 0.000 0.775 177 L CB -0.451 41.390 42.059 -0.364 0.000 0.913 177 L HN -0.032 nan 8.230 nan 0.000 0.440 178 A N 0.203 122.922 122.820 -0.168 0.000 2.076 178 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 178 A C 2.403 179.930 177.584 -0.094 0.000 1.160 178 A CA 1.628 53.591 52.037 -0.124 0.000 0.653 178 A CB -0.402 18.543 19.000 -0.092 0.000 0.801 178 A HN 0.420 nan 8.150 nan 0.000 0.455 179 A N -0.523 122.257 122.820 -0.067 0.000 2.123 179 A HA 0.539 4.859 4.320 -0.000 0.000 0.214 179 A C 1.409 178.990 177.584 -0.004 0.000 1.152 179 A CA 0.674 52.716 52.037 0.008 0.000 0.728 179 A CB -0.769 18.294 19.000 0.105 0.000 0.814 179 A HN 1.085 nan 8.150 nan 0.000 0.464 180 A N 0.754 123.430 122.820 -0.239 0.000 2.548 180 A HA 0.320 4.640 4.320 -0.000 0.000 0.247 180 A C 0.511 178.036 177.584 -0.099 0.000 1.067 180 A CA 0.190 52.003 52.037 -0.373 0.000 0.757 180 A CB -0.148 18.381 19.000 -0.786 0.000 0.996 180 A HN 0.496 nan 8.150 nan 0.000 0.504 181 K N 2.396 122.818 120.400 0.037 0.000 2.087 181 K HA 0.257 4.577 4.320 -0.000 0.000 0.255 181 K C 0.094 176.710 176.600 0.028 0.000 0.988 181 K CA -0.695 55.614 56.287 0.037 0.000 0.915 181 K CB 0.563 33.106 32.500 0.071 0.000 1.043 181 K HN 0.756 nan 8.250 nan 0.000 0.457 182 K N 1.144 121.554 120.400 0.017 0.000 2.472 182 K HA 0.126 4.446 4.320 -0.000 0.000 0.280 182 K C 0.540 177.161 176.600 0.034 0.000 1.028 182 K CA 0.438 56.735 56.287 0.017 0.000 1.045 182 K CB 0.298 32.804 32.500 0.011 0.000 0.902 182 K HN 0.842 nan 8.250 nan 0.000 0.478 183 G N 2.094 110.917 108.800 0.039 0.000 2.253 183 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.209 183 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.209 183 G C -0.541 174.405 174.900 0.077 0.000 0.997 183 G CA -0.092 45.038 45.100 0.050 0.000 0.640 183 G HN 0.682 nan 8.290 nan 0.000 0.496 184 D N 0.508 120.970 120.400 0.103 0.000 2.329 184 D HA 0.577 5.217 4.640 -0.000 0.000 0.246 184 D C 0.550 176.940 176.300 0.150 0.000 1.111 184 D CA 0.031 54.139 54.000 0.181 0.000 0.941 184 D CB 1.147 42.143 40.800 0.326 0.000 1.169 184 D HN 0.372 nan 8.370 nan 0.000 0.441 185 M N 1.016 120.743 119.600 0.211 0.000 2.436 185 M HA 0.454 4.934 4.480 -0.000 0.000 0.331 185 M C -1.751 174.696 176.300 0.244 0.000 1.135 185 M CA -0.761 54.641 55.300 0.170 0.000 0.987 185 M CB 1.582 34.267 32.600 0.142 0.000 1.687 185 M HN -0.006 nan 8.290 nan 0.000 0.445 186 V N 5.547 125.557 119.914 0.159 0.000 2.407 186 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 186 V C -0.853 175.356 176.094 0.192 0.000 1.018 186 V CA -0.845 61.565 62.300 0.183 0.000 0.842 186 V CB 1.489 33.312 31.823 0.000 0.000 0.996 186 V HN 0.758 nan 8.190 nan 0.000 0.426 187 L N 7.336 128.713 121.223 0.256 0.000 2.265 187 L HA 0.593 4.933 4.340 -0.000 0.000 0.288 187 L C -0.857 176.182 176.870 0.282 0.000 1.058 187 L CA 0.339 55.286 54.840 0.179 0.000 0.809 187 L CB 0.634 42.714 42.059 0.035 0.000 1.179 187 L HN 0.366 nan 8.230 nan 0.000 0.429 188 L N 4.940 126.317 121.223 0.257 0.000 2.341 188 L HA 0.467 4.807 4.340 -0.000 0.000 0.267 188 L C -0.108 176.990 176.870 0.379 0.000 1.009 188 L CA -0.499 54.563 54.840 0.370 0.000 0.819 188 L CB 1.706 43.986 42.059 0.368 0.000 1.323 188 L HN 0.589 nan 8.230 nan 0.000 0.425 189 H N 1.224 120.460 119.070 0.278 0.000 2.604 189 H HA 0.157 4.713 4.556 -0.000 0.000 0.306 189 H C 0.923 176.505 175.328 0.424 0.000 1.075 189 H CA 0.053 56.271 56.048 0.284 0.000 1.357 189 H CB 1.687 31.597 29.762 0.247 0.000 1.426 189 H HN 0.891 nan 8.280 nan 0.000 0.470 190 G N 2.963 112.016 108.800 0.420 0.000 2.450 190 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 190 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 190 G C 0.605 175.745 174.900 0.399 0.000 1.130 190 G CA 1.152 46.459 45.100 0.344 0.000 0.760 190 G HN 0.779 nan 8.290 nan 0.000 0.557 191 C N -5.247 114.293 119.300 0.399 0.000 3.216 191 C HA 0.454 4.914 4.460 -0.000 0.000 0.346 191 C C 0.417 175.616 174.990 0.348 0.000 1.384 191 C CA -1.088 58.148 59.018 0.364 0.000 1.208 191 C CB 0.478 28.373 27.740 0.259 0.000 1.483 191 C HN 0.853 nan 8.230 nan 0.000 0.453 192 C N 2.106 121.569 119.300 0.270 0.000 2.977 192 C HA -0.127 4.333 4.460 -0.000 0.000 0.252 192 C C 0.645 175.760 174.990 0.209 0.000 1.310 192 C CA 1.183 60.301 59.018 0.167 0.000 2.393 192 C CB -3.251 24.509 27.740 0.033 0.000 1.512 192 C HN 1.209 nan 8.230 nan 0.000 0.453 193 H N 2.209 121.365 119.070 0.143 0.000 3.157 193 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 193 H C 0.580 175.935 175.328 0.046 0.000 0.961 193 H CA 1.016 57.086 56.048 0.036 0.000 1.428 193 H CB 0.457 30.149 29.762 -0.116 0.000 1.459 193 H HN 0.715 nan 8.280 nan 0.000 0.566 194 N N 7.039 125.577 118.700 -0.270 0.000 2.434 194 N HA 0.110 4.850 4.740 -0.000 0.000 0.272 194 N C -2.053 173.163 175.510 -0.489 0.000 1.040 194 N CA -2.202 50.734 53.050 -0.190 0.000 0.956 194 N CB 1.504 39.997 38.487 0.011 0.000 1.108 194 N HN 0.412 nan 8.380 nan 0.000 0.481 195 P HA 0.099 nan 4.420 nan 0.000 0.275 195 P C 0.771 178.018 177.300 -0.089 0.000 1.310 195 P CA 0.303 63.248 63.100 -0.258 0.000 0.904 195 P CB 0.312 31.855 31.700 -0.261 0.000 1.381 196 T N -3.734 110.811 114.554 -0.015 0.000 2.857 196 T HA 0.118 4.468 4.350 -0.000 0.000 0.266 196 T C 1.809 176.413 174.700 -0.160 0.000 1.048 196 T CA 1.651 63.632 62.100 -0.198 0.000 1.139 196 T CB -1.287 67.312 68.868 -0.448 0.000 0.874 196 T HN 0.185 nan 8.240 nan 0.000 0.455 197 G N 1.435 110.233 108.800 -0.004 0.000 2.199 197 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.254 197 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.254 197 G C 0.269 175.045 174.900 -0.206 0.000 0.982 197 G CA 0.051 45.110 45.100 -0.068 0.000 0.632 197 G HN 1.258 nan 8.290 nan 0.000 0.529 198 A N 0.157 122.855 122.820 -0.203 0.000 2.363 198 A HA 0.700 5.020 4.320 -0.000 0.000 0.270 198 A C 0.200 177.870 177.584 0.142 0.000 1.121 198 A CA -0.060 51.954 52.037 -0.039 0.000 0.800 198 A CB 0.426 19.485 19.000 0.099 0.000 1.052 198 A HN 0.402 nan 8.150 nan 0.000 0.493 199 N N 0.969 119.746 118.700 0.128 0.000 2.357 199 N HA 0.454 5.194 4.740 -0.000 0.000 0.284 199 N C -1.096 174.465 175.510 0.085 0.000 1.236 199 N CA -0.564 52.605 53.050 0.199 0.000 0.774 199 N CB 1.494 40.121 38.487 0.232 0.000 1.534 199 N HN 0.549 nan 8.380 nan 0.000 0.478 200 L N 0.791 122.058 121.223 0.074 0.000 2.418 200 L HA 0.341 4.681 4.340 -0.000 0.000 0.265 200 L C 1.356 178.244 176.870 0.030 0.000 1.143 200 L CA -0.411 54.349 54.840 -0.133 0.000 0.809 200 L CB 0.602 42.345 42.059 -0.527 0.000 1.124 200 L HN 0.634 nan 8.230 nan 0.000 0.456 201 T N -1.327 113.194 114.554 -0.055 0.000 2.927 201 T HA 0.229 4.579 4.350 -0.000 0.000 0.281 201 T C 0.856 175.676 174.700 0.199 0.000 0.998 201 T CA -0.810 61.329 62.100 0.065 0.000 1.019 201 T CB 1.379 70.225 68.868 -0.037 0.000 1.061 201 T HN 0.429 nan 8.240 nan 0.000 0.518 202 L N 0.768 122.124 121.223 0.221 0.000 2.129 202 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 202 L C 2.128 179.104 176.870 0.176 0.000 1.087 202 L CA 1.896 56.880 54.840 0.240 0.000 0.757 202 L CB -0.901 41.226 42.059 0.114 0.000 0.896 202 L HN 0.760 nan 8.230 nan 0.000 0.434 203 D N -1.295 119.144 120.400 0.065 0.000 2.097 203 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 203 D C 1.986 178.282 176.300 -0.007 0.000 0.984 203 D CA 1.355 55.367 54.000 0.020 0.000 0.826 203 D CB 0.033 40.813 40.800 -0.033 0.000 0.973 203 D HN 0.557 nan 8.370 nan 0.000 0.460 204 Q N -0.224 119.476 119.800 -0.166 0.000 2.124 204 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 204 Q C 2.110 178.104 176.000 -0.010 0.000 0.977 204 Q CA 1.125 56.696 55.803 -0.386 0.000 0.850 204 Q CB -0.187 28.008 28.738 -0.905 0.000 0.901 204 Q HN 0.430 nan 8.270 nan 0.000 0.429 205 W N 0.541 121.852 121.300 0.018 0.000 2.363 205 W HA -0.166 4.494 4.660 -0.000 0.000 0.296 205 W C 2.485 179.047 176.519 0.072 0.000 1.212 205 W CA 1.063 58.451 57.345 0.071 0.000 1.260 205 W CB -0.120 29.372 29.460 0.053 0.000 1.131 205 W HN 0.166 nan 8.180 nan 0.000 0.530 206 A N -0.063 122.927 122.820 0.283 0.000 1.969 206 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 206 A C 1.773 179.451 177.584 0.157 0.000 1.169 206 A CA 1.604 53.752 52.037 0.185 0.000 0.635 206 A CB -0.590 18.485 19.000 0.125 0.000 0.810 206 A HN 0.348 nan 8.150 nan 0.000 0.445 207 E N -0.333 119.975 120.200 0.181 0.000 2.072 207 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 207 E C 1.806 178.478 176.600 0.119 0.000 0.985 207 E CA 0.918 57.422 56.400 0.173 0.000 0.801 207 E CB -0.188 29.700 29.700 0.313 0.000 0.750 207 E HN 0.502 nan 8.360 nan 0.000 0.452 208 I N 1.250 121.906 120.570 0.145 0.000 2.286 208 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 208 I C 2.492 178.650 176.117 0.070 0.000 1.115 208 I CA 0.981 62.314 61.300 0.056 0.000 1.392 208 I CB -1.498 36.524 38.000 0.037 0.000 1.065 208 I HN -0.009 nan 8.210 nan 0.000 0.418 209 A N 0.716 123.614 122.820 0.130 0.000 1.908 209 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 209 A C 2.578 180.194 177.584 0.054 0.000 1.181 209 A CA 2.252 54.353 52.037 0.106 0.000 0.627 209 A CB -0.799 18.274 19.000 0.122 0.000 0.818 209 A HN 0.467 nan 8.150 nan 0.000 0.445 210 S N 0.266 115.995 115.700 0.049 0.000 2.353 210 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 210 S C 1.838 176.435 174.600 -0.004 0.000 1.035 210 S CA 1.605 59.819 58.200 0.023 0.000 1.025 210 S CB -0.646 62.569 63.200 0.025 0.000 0.902 210 S HN 0.538 nan 8.310 nan 0.000 0.440 211 I N 1.613 122.169 120.570 -0.023 0.000 2.127 211 I HA -0.222 3.947 4.170 -0.000 0.000 0.241 211 I C 2.266 178.344 176.117 -0.064 0.000 1.075 211 I CA 1.308 62.571 61.300 -0.063 0.000 1.334 211 I CB -0.532 37.402 38.000 -0.109 0.000 1.040 211 I HN 0.225 nan 8.210 nan 0.000 0.405 212 L N 0.208 121.402 121.223 -0.048 0.000 2.042 212 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 212 L C 2.603 179.459 176.870 -0.024 0.000 1.076 212 L CA 1.581 56.395 54.840 -0.042 0.000 0.749 212 L CB -0.605 41.450 42.059 -0.007 0.000 0.893 212 L HN 0.338 nan 8.230 nan 0.000 0.432 213 E N 0.405 120.600 120.200 -0.007 0.000 2.107 213 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 213 E C 2.124 178.718 176.600 -0.010 0.000 0.982 213 E CA 0.943 57.342 56.400 -0.002 0.000 0.809 213 E CB 0.212 29.917 29.700 0.008 0.000 0.756 213 E HN 0.405 nan 8.360 nan 0.000 0.459 214 K N -0.346 120.043 120.400 -0.019 0.000 2.057 214 K HA -0.085 4.234 4.320 -0.000 0.000 0.206 214 K C 2.301 178.884 176.600 -0.028 0.000 1.050 214 K CA 1.776 58.050 56.287 -0.022 0.000 0.935 214 K CB -0.057 32.426 32.500 -0.028 0.000 0.715 214 K HN 0.229 nan 8.250 nan 0.000 0.439 215 T N -2.916 111.612 114.554 -0.043 0.000 2.978 215 T HA 0.103 4.453 4.350 -0.000 0.000 0.262 215 T C 1.444 176.123 174.700 -0.036 0.000 1.063 215 T CA 0.540 62.609 62.100 -0.051 0.000 1.140 215 T CB 0.049 68.861 68.868 -0.094 0.000 0.886 215 T HN 0.311 nan 8.240 nan 0.000 0.470 216 G N 1.598 110.381 108.800 -0.029 0.000 2.182 216 G HA2 0.059 4.019 3.960 -0.000 0.000 0.248 216 G HA3 0.059 4.019 3.960 -0.000 0.000 0.248 216 G C 0.099 174.992 174.900 -0.012 0.000 1.042 216 G CA -0.116 44.976 45.100 -0.013 0.000 0.775 216 G HN 1.156 nan 8.290 nan 0.000 0.501 217 A N -0.391 122.411 122.820 -0.031 0.000 2.309 217 A HA 0.762 5.082 4.320 -0.000 0.000 0.298 217 A C 0.363 177.948 177.584 0.002 0.000 1.165 217 A CA -0.421 51.601 52.037 -0.025 0.000 0.821 217 A CB 1.020 19.963 19.000 -0.096 0.000 1.102 217 A HN 1.541 nan 8.150 nan 0.000 0.500 218 L N 5.531 126.772 121.223 0.029 0.000 2.369 218 L HA 0.367 4.707 4.340 -0.000 0.000 0.279 218 L C -2.041 174.863 176.870 0.056 0.000 1.108 218 L CA -1.354 53.511 54.840 0.042 0.000 0.852 218 L CB 0.513 42.602 42.059 0.050 0.000 1.169 218 L HN 0.435 nan 8.230 nan 0.000 0.452 219 P HA 0.186 nan 4.420 nan 0.000 0.285 219 P C -1.317 176.038 177.300 0.091 0.000 1.259 219 P CA -0.592 62.558 63.100 0.083 0.000 0.794 219 P CB 1.673 33.431 31.700 0.096 0.000 0.940 220 L N 5.077 126.363 121.223 0.105 0.000 2.319 220 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 220 L C -0.815 176.121 176.870 0.109 0.000 1.005 220 L CA -0.627 54.270 54.840 0.095 0.000 0.828 220 L CB 0.592 42.705 42.059 0.089 0.000 1.227 220 L HN 0.232 nan 8.230 nan 0.000 0.415 221 I N 4.611 125.243 120.570 0.104 0.000 2.321 221 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 221 I C -0.313 175.852 176.117 0.081 0.000 0.998 221 I CA -0.396 60.977 61.300 0.123 0.000 1.227 221 I CB 1.311 39.382 38.000 0.118 0.000 1.368 221 I HN 0.571 nan 8.210 nan 0.000 0.466 222 D N 7.595 128.030 120.400 0.059 0.000 2.347 222 D HA 0.194 4.834 4.640 -0.000 0.000 0.235 222 D C -1.065 175.255 176.300 0.033 0.000 1.149 222 D CA -0.351 53.655 54.000 0.011 0.000 0.850 222 D CB 1.341 42.092 40.800 -0.083 0.000 1.061 222 D HN 0.200 nan 8.370 nan 0.000 0.487 223 L N 4.342 125.581 121.223 0.026 0.000 2.387 223 L HA 0.495 4.835 4.340 -0.000 0.000 0.259 223 L C 0.406 177.273 176.870 -0.006 0.000 1.050 223 L CA -0.250 54.617 54.840 0.046 0.000 0.922 223 L CB 0.955 43.042 42.059 0.047 0.000 1.280 223 L HN 0.462 nan 8.230 nan 0.000 0.449 224 A N 3.410 126.199 122.820 -0.053 0.000 2.469 224 A HA 0.267 4.587 4.320 -0.000 0.000 0.245 224 A C 0.163 177.512 177.584 -0.392 0.000 1.221 224 A CA 0.199 52.082 52.037 -0.257 0.000 0.946 224 A CB 0.092 18.815 19.000 -0.462 0.000 1.049 224 A HN 0.568 nan 8.150 nan 0.000 0.529 225 Y N 0.071 120.414 120.300 0.072 0.000 2.696 225 Y HA 0.294 4.844 4.550 -0.000 0.000 0.255 225 Y C 0.569 176.626 175.900 0.261 0.000 1.103 225 Y CA -0.746 57.436 58.100 0.138 0.000 1.126 225 Y CB 0.158 38.640 38.460 0.037 0.000 1.197 225 Y HN 0.387 nan 8.280 nan 0.000 0.574 226 Q N 0.844 120.817 119.800 0.289 0.000 2.244 226 Q HA 0.359 4.699 4.340 -0.000 0.000 0.276 226 Q C 1.044 177.144 176.000 0.166 0.000 1.122 226 Q CA 1.396 57.319 55.803 0.199 0.000 0.920 226 Q CB 0.065 28.886 28.738 0.138 0.000 1.186 226 Q HN 0.791 nan 8.270 nan 0.000 0.393 227 G N 3.232 112.082 108.800 0.083 0.000 2.428 227 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.199 227 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.199 227 G C 0.174 174.938 174.900 -0.227 0.000 1.005 227 G CA -0.063 44.947 45.100 -0.151 0.000 0.671 227 G HN 0.623 nan 8.290 nan 0.000 0.485 228 F N 2.102 122.046 119.950 -0.009 0.000 2.743 228 F HA 0.378 4.905 4.527 -0.000 0.000 0.297 228 F C 2.396 178.179 175.800 -0.029 0.000 1.131 228 F CA 1.152 59.135 58.000 -0.027 0.000 1.426 228 F CB 0.176 39.189 39.000 0.021 0.000 1.116 228 F HN 0.346 nan 8.300 nan 0.000 0.583 229 G N -0.396 108.500 108.800 0.161 0.000 2.632 229 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.220 229 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.220 229 G C 0.691 175.622 174.900 0.051 0.000 1.439 229 G CA 0.543 45.709 45.100 0.109 0.000 0.934 229 G HN 0.149 nan 8.290 nan 0.000 0.536 230 D N 0.329 120.748 120.400 0.032 0.000 2.599 230 D HA 0.409 5.049 4.640 -0.000 0.000 0.249 230 D C 0.903 177.182 176.300 -0.034 0.000 1.313 230 D CA 0.724 54.725 54.000 0.003 0.000 0.815 230 D CB 1.411 42.224 40.800 0.022 0.000 1.077 230 D HN 0.637 nan 8.370 nan 0.000 0.492 234 E N 0.955 121.127 120.200 -0.047 0.000 2.046 234 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 234 E C 1.568 178.148 176.600 -0.033 0.000 0.982 234 E CA 1.563 57.944 56.400 -0.032 0.000 0.800 234 E CB 0.164 29.844 29.700 -0.034 0.000 0.756 234 E HN 0.350 nan 8.360 nan 0.000 0.449 235 E N 1.667 121.849 120.200 -0.031 0.000 2.077 235 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 235 E C 1.377 177.970 176.600 -0.012 0.000 0.989 235 E CA 1.384 57.772 56.400 -0.020 0.000 0.800 235 E CB -0.164 29.530 29.700 -0.010 0.000 0.746 235 E HN 0.055 nan 8.360 nan 0.000 0.452 236 D N -0.472 119.931 120.400 0.004 0.000 2.263 236 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 236 D C 1.194 177.492 176.300 -0.003 0.000 0.971 236 D CA 1.272 55.293 54.000 0.035 0.000 0.867 236 D CB -0.144 40.699 40.800 0.071 0.000 0.929 236 D HN 0.332 nan 8.370 nan 0.000 0.492 237 A N 0.037 122.836 122.820 -0.035 0.000 2.308 237 A HA 0.435 4.755 4.320 -0.000 0.000 0.217 237 A C 2.105 179.603 177.584 -0.142 0.000 1.216 237 A CA 0.780 52.774 52.037 -0.072 0.000 0.864 237 A CB 0.006 18.983 19.000 -0.039 0.000 0.902 237 A HN 0.136 nan 8.150 nan 0.000 0.499 238 A N 0.335 123.071 122.820 -0.141 0.000 1.859 238 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 238 A C 2.385 179.772 177.584 -0.328 0.000 1.198 238 A CA 2.093 54.029 52.037 -0.170 0.000 0.629 238 A CB -1.461 17.474 19.000 -0.108 0.000 0.830 238 A HN 0.775 nan 8.150 nan 0.000 0.446 239 G N -1.480 106.956 108.800 -0.607 0.000 2.440 239 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 239 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 239 G C 1.568 175.862 174.900 -1.009 0.000 1.154 239 G CA 1.755 46.047 45.100 -1.347 0.000 0.767 239 G HN 0.463 nan 8.290 nan 0.000 0.552 240 T N 0.454 114.612 114.554 -0.661 0.000 2.777 240 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 240 T C 2.497 177.070 174.700 -0.212 0.000 1.040 240 T CA 1.076 62.962 62.100 -0.358 0.000 1.141 240 T CB -0.123 68.626 68.868 -0.199 0.000 0.868 240 T HN 0.273 nan 8.240 nan 0.000 0.444 241 R N 0.384 120.772 120.500 -0.187 0.000 2.092 241 R HA 0.085 4.425 4.340 -0.000 0.000 0.231 241 R C 2.458 178.701 176.300 -0.095 0.000 1.119 241 R CA 0.849 56.882 56.100 -0.111 0.000 0.970 241 R CB -0.496 29.750 30.300 -0.090 0.000 0.864 241 R HN 0.311 nan 8.270 nan 0.000 0.440 242 L N 0.749 121.895 121.223 -0.128 0.000 2.056 242 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 242 L C 2.001 178.858 176.870 -0.023 0.000 1.078 242 L CA 1.269 56.070 54.840 -0.065 0.000 0.749 242 L CB -0.092 41.933 42.059 -0.057 0.000 0.901 242 L HN 0.097 nan 8.230 nan 0.000 0.433 243 I N 0.406 120.951 120.570 -0.041 0.000 2.226 243 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 243 I C 2.758 178.884 176.117 0.015 0.000 1.100 243 I CA 1.479 62.798 61.300 0.031 0.000 1.374 243 I CB -1.755 36.280 38.000 0.059 0.000 1.057 243 I HN 0.359 nan 8.210 nan 0.000 0.413 244 A N 0.926 123.736 122.820 -0.016 0.000 2.015 244 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 244 A C 2.483 180.065 177.584 -0.004 0.000 1.163 244 A CA 1.945 53.977 52.037 -0.009 0.000 0.646 244 A CB -0.612 18.374 19.000 -0.023 0.000 0.806 244 A HN 0.568 nan 8.150 nan 0.000 0.448 245 S N -1.126 114.569 115.700 -0.007 0.000 2.414 245 S HA -0.020 4.450 4.470 -0.000 0.000 0.227 245 S C 1.955 176.560 174.600 0.009 0.000 1.022 245 S CA 1.032 59.231 58.200 -0.002 0.000 0.958 245 S CB -0.133 63.064 63.200 -0.006 0.000 0.797 245 S HN 0.418 nan 8.310 nan 0.000 0.493 246 R N 0.847 121.357 120.500 0.017 0.000 2.048 246 R HA 0.401 4.741 4.340 -0.000 0.000 0.221 246 R C 0.264 176.579 176.300 0.023 0.000 1.174 246 R CA 0.450 56.565 56.100 0.025 0.000 0.971 246 R CB -0.515 29.809 30.300 0.039 0.000 0.863 246 R HN 0.328 nan 8.270 nan 0.000 0.439 247 I N 2.884 123.471 120.570 0.029 0.000 2.471 247 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 247 I C -1.633 174.496 176.117 0.020 0.000 1.079 247 I CA -2.278 59.038 61.300 0.026 0.000 1.398 247 I CB 0.679 38.700 38.000 0.035 0.000 1.403 247 I HN 0.063 nan 8.210 nan 0.000 0.530 248 P HA -0.069 nan 4.420 nan 0.000 0.222 248 P C 0.138 177.446 177.300 0.014 0.000 1.147 248 P CA 1.085 64.193 63.100 0.013 0.000 0.790 248 P CB 0.440 32.147 31.700 0.011 0.000 0.780 249 E N -0.355 119.856 120.200 0.018 0.000 2.283 249 E HA 0.437 4.787 4.350 -0.000 0.000 0.258 249 E C -1.809 174.807 176.600 0.027 0.000 0.893 249 E CA -0.746 55.666 56.400 0.020 0.000 0.798 249 E CB 1.833 31.545 29.700 0.020 0.000 1.242 249 E HN -0.254 nan 8.360 nan 0.000 0.414 250 V N 4.530 124.460 119.914 0.028 0.000 3.049 250 V HA 0.608 4.728 4.120 -0.000 0.000 0.309 250 V C -2.085 174.030 176.094 0.035 0.000 1.148 250 V CA -0.713 61.608 62.300 0.036 0.000 0.990 250 V CB 1.919 33.763 31.823 0.035 0.000 1.039 250 V HN 0.545 nan 8.190 nan 0.000 0.430 251 L N 5.774 127.025 121.223 0.046 0.000 2.341 251 L HA 0.689 5.029 4.340 -0.000 0.000 0.278 251 L C -0.487 176.412 176.870 0.048 0.000 1.005 251 L CA -0.164 54.704 54.840 0.046 0.000 0.818 251 L CB 1.646 43.738 42.059 0.056 0.000 1.259 251 L HN 0.604 nan 8.230 nan 0.000 0.418 252 I N 2.985 123.578 120.570 0.038 0.000 2.447 252 I HA 0.610 4.780 4.170 -0.000 0.000 0.287 252 I C -0.301 175.837 176.117 0.035 0.000 1.023 252 I CA -0.714 60.607 61.300 0.035 0.000 1.083 252 I CB 1.989 39.998 38.000 0.015 0.000 1.245 252 I HN 0.651 nan 8.210 nan 0.000 0.434 253 A N 5.394 128.241 122.820 0.044 0.000 2.256 253 A HA 0.857 5.176 4.320 -0.000 0.000 0.317 253 A C -0.138 177.460 177.584 0.025 0.000 1.318 253 A CA -0.398 51.666 52.037 0.045 0.000 0.894 253 A CB 0.694 19.734 19.000 0.067 0.000 1.165 253 A HN 0.781 nan 8.150 nan 0.000 0.525 254 A N 1.968 124.798 122.820 0.018 0.000 2.325 254 A HA 0.796 5.116 4.320 -0.000 0.000 0.333 254 A C 0.179 177.765 177.584 0.004 0.000 1.155 254 A CA -0.365 51.676 52.037 0.007 0.000 0.814 254 A CB 1.148 20.152 19.000 0.007 0.000 1.206 254 A HN 1.206 nan 8.150 nan 0.000 0.482 255 S N 0.158 115.846 115.700 -0.021 0.000 2.473 255 S HA 0.388 4.858 4.470 -0.000 0.000 0.307 255 S C 0.139 174.746 174.600 0.011 0.000 1.094 255 S CA -0.571 57.606 58.200 -0.038 0.000 1.070 255 S CB 0.836 63.952 63.200 -0.141 0.000 1.019 255 S HN 0.741 nan 8.310 nan 0.000 0.480 256 C N 3.234 122.555 119.300 0.036 0.000 2.906 256 C HA 0.222 4.682 4.460 -0.000 0.000 0.274 256 C C 2.498 177.516 174.990 0.047 0.000 1.257 256 C CA -0.170 58.919 59.018 0.119 0.000 1.695 256 C CB -1.502 26.244 27.740 0.011 0.000 1.958 256 C HN 0.906 nan 8.230 nan 0.000 0.619 257 S N 2.075 117.729 115.700 -0.076 0.000 2.359 257 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 257 S C 1.918 176.194 174.600 -0.539 0.000 1.038 257 S CA 1.742 59.797 58.200 -0.242 0.000 1.051 257 S CB -0.082 63.051 63.200 -0.111 0.000 0.944 257 S HN 0.628 nan 8.310 nan 0.000 0.433 258 K N 2.069 122.282 120.400 -0.312 0.000 1.980 258 K HA 0.004 4.324 4.320 -0.000 0.000 0.208 258 K C 1.785 178.532 176.600 0.245 0.000 1.043 258 K CA 1.364 57.560 56.287 -0.151 0.000 0.938 258 K CB -0.432 31.914 32.500 -0.258 0.000 0.724 258 K HN 0.425 nan 8.250 nan 0.000 0.438 259 N N 0.106 119.027 118.700 0.368 0.000 2.519 259 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 259 N C 0.737 176.298 175.510 0.084 0.000 1.062 259 N CA 1.211 54.430 53.050 0.281 0.000 0.910 259 N CB -0.237 38.386 38.487 0.226 0.000 0.958 259 N HN 0.159 nan 8.380 nan 0.000 0.445 260 F N -0.898 119.135 119.950 0.138 0.000 2.706 260 F HA 0.411 4.938 4.527 -0.000 0.000 0.313 260 F C 1.609 177.400 175.800 -0.014 0.000 1.096 260 F CA 0.048 58.078 58.000 0.052 0.000 1.219 260 F CB 0.402 39.320 39.000 -0.136 0.000 1.051 260 F HN 0.153 nan 8.300 nan 0.000 0.568 261 G N 2.239 111.046 108.800 0.012 0.000 2.249 261 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.273 261 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.273 261 G C 0.565 175.415 174.900 -0.084 0.000 1.036 261 G CA 0.672 45.719 45.100 -0.089 0.000 0.824 261 G HN 0.614 nan 8.290 nan 0.000 0.504 262 I N -3.705 116.757 120.570 -0.179 0.000 3.531 262 I HA 0.425 4.595 4.170 -0.000 0.000 0.341 262 I C 1.646 177.754 176.117 -0.014 0.000 1.550 262 I CA -1.211 60.070 61.300 -0.031 0.000 1.087 262 I CB -0.364 37.621 38.000 -0.026 0.000 1.408 262 I HN 0.036 nan 8.210 nan 0.000 0.484 263 Y N 2.621 122.970 120.300 0.081 0.000 2.029 263 Y HA -0.359 4.191 4.550 -0.000 0.000 0.269 263 Y C 2.865 178.786 175.900 0.036 0.000 1.201 263 Y CA 2.568 60.701 58.100 0.055 0.000 1.115 263 Y CB -0.821 37.677 38.460 0.063 0.000 0.945 263 Y HN 0.425 nan 8.280 nan 0.000 0.497 264 R N 0.530 121.168 120.500 0.231 0.000 2.285 264 R HA -0.097 4.243 4.340 -0.000 0.000 0.213 264 R C 1.321 177.662 176.300 0.069 0.000 1.068 264 R CA 1.392 57.565 56.100 0.122 0.000 1.004 264 R CB -0.401 29.959 30.300 0.100 0.000 0.873 264 R HN 0.323 nan 8.270 nan 0.000 0.467 265 E N 1.293 121.529 120.200 0.060 0.000 2.208 265 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 265 E C -0.087 176.504 176.600 -0.014 0.000 0.988 265 E CA 0.320 56.734 56.400 0.024 0.000 0.828 265 E CB 0.001 29.707 29.700 0.010 0.000 0.763 265 E HN 0.188 nan 8.360 nan 0.000 0.478 266 R N 0.356 120.852 120.500 -0.008 0.000 2.823 266 R HA -0.113 4.227 4.340 -0.000 0.000 0.294 266 R C -0.254 176.009 176.300 -0.062 0.000 0.952 266 R CA 0.900 56.985 56.100 -0.025 0.000 0.695 266 R CB -3.108 27.170 30.300 -0.036 0.000 1.795 266 R HN 0.325 nan 8.270 nan 0.000 0.468 267 T N -1.519 112.999 114.554 -0.059 0.000 2.971 267 T HA 0.806 5.156 4.350 -0.000 0.000 0.304 267 T C 0.151 174.859 174.700 0.013 0.000 1.038 267 T CA 0.325 62.378 62.100 -0.077 0.000 1.007 267 T CB 2.447 71.196 68.868 -0.197 0.000 1.055 267 T HN 0.841 nan 8.240 nan 0.000 0.451 268 G N 0.971 109.831 108.800 0.100 0.000 2.488 268 G HA2 0.670 4.630 3.960 -0.000 0.000 0.301 268 G HA3 0.670 4.630 3.960 -0.000 0.000 0.301 268 G C -0.841 174.186 174.900 0.212 0.000 1.339 268 G CA -0.124 45.061 45.100 0.141 0.000 0.803 268 G HN 1.839 nan 8.290 nan 0.000 0.482 269 C N -1.311 118.063 119.300 0.122 0.000 3.285 269 C HA 0.852 5.312 4.460 -0.000 0.000 0.325 269 C C -1.362 173.659 174.990 0.052 0.000 1.304 269 C CA -1.033 58.048 59.018 0.104 0.000 1.319 269 C CB 0.794 28.548 27.740 0.024 0.000 1.640 269 C HN 1.266 nan 8.230 nan 0.000 0.477 270 L N 2.123 123.382 121.223 0.060 0.000 2.313 270 L HA 0.812 5.152 4.340 -0.000 0.000 0.283 270 L C -0.884 176.002 176.870 0.027 0.000 1.013 270 L CA -0.619 54.250 54.840 0.049 0.000 0.816 270 L CB 1.155 43.255 42.059 0.069 0.000 1.236 270 L HN 0.823 nan 8.230 nan 0.000 0.419 271 L N 5.428 126.660 121.223 0.015 0.000 2.322 271 L HA 0.786 5.126 4.340 -0.000 0.000 0.281 271 L C -0.145 176.735 176.870 0.017 0.000 1.014 271 L CA -0.710 54.133 54.840 0.004 0.000 0.815 271 L CB 1.763 43.815 42.059 -0.013 0.000 1.247 271 L HN 0.791 nan 8.230 nan 0.000 0.421 272 A N 5.589 128.419 122.820 0.017 0.000 2.328 272 A HA 0.618 4.938 4.320 -0.000 0.000 0.318 272 A C -0.485 177.108 177.584 0.014 0.000 1.347 272 A CA -0.478 51.572 52.037 0.021 0.000 0.842 272 A CB 0.279 19.294 19.000 0.026 0.000 1.148 272 A HN 0.647 nan 8.150 nan 0.000 0.499 273 L N 2.184 123.415 121.223 0.014 0.000 2.290 273 L HA 0.365 4.705 4.340 -0.000 0.000 0.284 273 L C -0.236 176.641 176.870 0.012 0.000 1.078 273 L CA -0.379 54.467 54.840 0.009 0.000 0.815 273 L CB 0.653 42.716 42.059 0.007 0.000 1.162 273 L HN 0.665 nan 8.230 nan 0.000 0.435 274 C N 1.123 120.429 119.300 0.009 0.000 2.822 274 C HA 0.661 5.121 4.460 -0.000 0.000 0.341 274 C C 1.467 176.461 174.990 0.007 0.000 1.301 274 C CA -0.403 58.620 59.018 0.009 0.000 1.706 274 C CB 1.525 29.270 27.740 0.009 0.000 2.178 274 C HN 0.963 nan 8.230 nan 0.000 0.481 275 A N 0.292 123.117 122.820 0.007 0.000 1.878 275 A HA 0.117 4.437 4.320 -0.000 0.000 0.213 275 A C 0.583 178.169 177.584 0.004 0.000 1.192 275 A CA 1.292 53.332 52.037 0.006 0.000 0.619 275 A CB -0.266 18.737 19.000 0.006 0.000 0.837 275 A HN 0.960 nan 8.150 nan 0.000 0.446 276 D N -2.442 117.960 120.400 0.004 0.000 2.423 276 D HA 0.532 5.172 4.640 -0.000 0.000 0.235 276 D C 0.643 176.945 176.300 0.003 0.000 1.011 276 D CA -0.001 54.001 54.000 0.003 0.000 0.963 276 D CB 1.835 42.636 40.800 0.002 0.000 1.349 276 D HN 0.029 nan 8.370 nan 0.000 0.508 277 A N 0.673 123.494 122.820 0.002 0.000 2.019 277 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 277 A C 2.039 179.624 177.584 0.002 0.000 1.164 277 A CA 1.921 53.960 52.037 0.003 0.000 0.644 277 A CB -0.762 18.240 19.000 0.003 0.000 0.805 277 A HN 0.683 nan 8.150 nan 0.000 0.449 278 A N -0.822 121.999 122.820 0.001 0.000 1.873 278 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 278 A C 2.275 179.859 177.584 -0.001 0.000 1.186 278 A CA 2.116 54.153 52.037 -0.000 0.000 0.616 278 A CB -1.244 17.755 19.000 -0.002 0.000 0.823 278 A HN 0.403 nan 8.150 nan 0.000 0.442 279 T N -0.496 114.058 114.554 0.000 0.000 2.833 279 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 279 T C 1.990 176.692 174.700 0.003 0.000 1.054 279 T CA 1.419 63.519 62.100 0.001 0.000 1.135 279 T CB -0.274 68.595 68.868 0.003 0.000 0.869 279 T HN 0.563 nan 8.240 nan 0.000 0.466 280 R N 1.109 121.611 120.500 0.004 0.000 2.083 280 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 280 R C 2.209 178.514 176.300 0.007 0.000 1.137 280 R CA 1.471 57.575 56.100 0.007 0.000 0.951 280 R CB -0.110 30.194 30.300 0.007 0.000 0.851 280 R HN 0.234 nan 8.270 nan 0.000 0.434 281 E N 0.863 121.066 120.200 0.005 0.000 2.118 281 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 281 E C 2.116 178.716 176.600 0.001 0.000 0.992 281 E CA 0.962 57.365 56.400 0.004 0.000 0.804 281 E CB -0.232 29.470 29.700 0.002 0.000 0.741 281 E HN 0.438 nan 8.360 nan 0.000 0.458 282 L N 0.300 121.521 121.223 -0.004 0.000 1.976 282 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 282 L C 2.542 179.408 176.870 -0.006 0.000 1.071 282 L CA 1.377 56.210 54.840 -0.012 0.000 0.746 282 L CB -0.592 41.459 42.059 -0.014 0.000 0.890 282 L HN 0.087 nan 8.230 nan 0.000 0.432 283 A N -0.641 122.181 122.820 0.003 0.000 1.902 283 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 283 A C 2.157 179.755 177.584 0.022 0.000 1.181 283 A CA 1.950 53.995 52.037 0.013 0.000 0.623 283 A CB -0.603 18.407 19.000 0.017 0.000 0.818 283 A HN 0.424 nan 8.150 nan 0.000 0.443 284 Q N -0.112 119.701 119.800 0.021 0.000 2.096 284 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 284 Q C 1.945 177.965 176.000 0.033 0.000 0.982 284 Q CA 2.242 58.062 55.803 0.028 0.000 0.850 284 Q CB -0.976 27.777 28.738 0.024 0.000 0.901 284 Q HN 0.519 nan 8.270 nan 0.000 0.422 285 G N -0.270 108.544 108.800 0.023 0.000 2.404 285 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 285 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 285 G C 1.487 176.417 174.900 0.050 0.000 1.174 285 G CA 0.947 46.063 45.100 0.026 0.000 0.780 285 G HN 0.527 nan 8.290 nan 0.000 0.537 286 A N 0.581 123.418 122.820 0.029 0.000 1.940 286 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 286 A C 2.470 180.132 177.584 0.130 0.000 1.176 286 A CA 1.916 53.986 52.037 0.055 0.000 0.631 286 A CB -0.370 18.638 19.000 0.015 0.000 0.814 286 A HN 0.401 nan 8.150 nan 0.000 0.446 287 M N -0.686 118.963 119.600 0.081 0.000 2.086 287 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 287 M C 2.558 178.892 176.300 0.056 0.000 1.067 287 M CA 1.465 56.806 55.300 0.069 0.000 1.116 287 M CB -0.403 32.230 32.600 0.056 0.000 1.348 287 M HN 0.470 nan 8.290 nan 0.000 0.407 288 A N 0.044 122.899 122.820 0.057 0.000 1.902 288 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 288 A C 2.016 179.602 177.584 0.003 0.000 1.181 288 A CA 1.458 53.507 52.037 0.020 0.000 0.623 288 A CB -1.052 17.963 19.000 0.026 0.000 0.818 288 A HN 0.550 nan 8.150 nan 0.000 0.443 289 F N 0.185 120.085 119.950 -0.084 0.000 2.134 289 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 289 F C 1.750 177.477 175.800 -0.120 0.000 1.097 289 F CA 1.491 59.433 58.000 -0.097 0.000 1.264 289 F CB -0.231 38.729 39.000 -0.068 0.000 1.001 289 F HN 0.143 nan 8.300 nan 0.000 0.479 290 L N 0.949 122.143 121.223 -0.048 0.000 2.079 290 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 290 L C 2.114 178.773 176.870 -0.352 0.000 1.081 290 L CA 1.584 56.318 54.840 -0.176 0.000 0.752 290 L CB -1.582 40.467 42.059 -0.018 0.000 0.896 290 L HN 0.177 nan 8.230 nan 0.000 0.433 291 N N -0.832 117.673 118.700 -0.326 0.000 2.171 291 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 291 N C 1.987 177.161 175.510 -0.560 0.000 1.021 291 N CA 0.838 53.584 53.050 -0.507 0.000 0.854 291 N CB -0.183 38.167 38.487 -0.229 0.000 0.994 291 N HN 0.220 nan 8.380 nan 0.000 0.426 292 R N 0.588 120.820 120.500 -0.446 0.000 2.091 292 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 292 R C 1.219 177.258 176.300 -0.435 0.000 1.136 292 R CA 1.293 57.134 56.100 -0.432 0.000 0.959 292 R CB 0.100 30.171 30.300 -0.382 0.000 0.856 292 R HN 0.251 nan 8.270 nan 0.000 0.437 293 Q N -0.979 118.490 119.800 -0.552 0.000 2.432 293 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 293 Q C 1.383 177.185 176.000 -0.330 0.000 0.945 293 Q CA 1.107 56.634 55.803 -0.460 0.000 0.924 293 Q CB 0.611 28.986 28.738 -0.606 0.000 1.016 293 Q HN 0.374 nan 8.270 nan 0.000 0.503 294 T N -0.510 113.794 114.554 -0.416 0.000 3.045 294 T HA 0.023 4.373 4.350 -0.000 0.000 0.239 294 T C 0.590 175.164 174.700 -0.210 0.000 1.008 294 T CA 0.851 62.742 62.100 -0.347 0.000 1.143 294 T CB 0.085 68.655 68.868 -0.497 0.000 0.894 294 T HN 0.442 nan 8.240 nan 0.000 0.451 295 Y N -0.856 119.407 120.300 -0.063 0.000 3.024 295 Y HA 0.666 5.216 4.550 -0.000 0.000 0.283 295 Y C 0.675 176.555 175.900 -0.032 0.000 1.040 295 Y CA -0.512 57.573 58.100 -0.026 0.000 1.283 295 Y CB -0.376 38.088 38.460 0.008 0.000 1.367 295 Y HN 0.121 nan 8.280 nan 0.000 0.589 296 S N 0.314 115.966 115.700 -0.080 0.000 4.141 296 S HA -0.277 4.193 4.470 -0.000 0.000 0.622 296 S C -0.125 174.427 174.600 -0.079 0.000 1.894 296 S CA 1.147 59.246 58.200 -0.169 0.000 4.238 296 S CB -1.625 61.536 63.200 -0.065 0.000 0.205 296 S HN 0.429 nan 8.310 nan 0.000 0.486 297 F N 5.091 125.126 119.950 0.141 0.000 2.418 297 F HA 0.479 5.006 4.527 -0.000 0.000 0.341 297 F C -1.363 174.580 175.800 0.239 0.000 1.120 297 F CA -0.935 57.171 58.000 0.176 0.000 1.232 297 F CB 0.295 39.384 39.000 0.148 0.000 1.175 297 F HN 0.291 nan 8.300 nan 0.000 0.569 298 P HA 0.221 nan 4.420 nan 0.000 0.281 298 P C -2.671 174.692 177.300 0.105 0.000 1.249 298 P CA -1.647 61.559 63.100 0.176 0.000 0.810 298 P CB 0.306 32.117 31.700 0.185 0.000 1.008 299 P HA 0.044 nan 4.420 nan 0.000 0.264 299 P C 0.252 177.561 177.300 0.015 0.000 1.193 299 P CA 0.175 63.278 63.100 0.004 0.000 0.763 299 P CB 0.087 31.748 31.700 -0.066 0.000 0.810 300 F N 2.897 122.801 119.950 -0.077 0.000 2.262 300 F HA -0.040 4.487 4.527 -0.000 0.000 0.292 300 F C 2.340 178.061 175.800 -0.131 0.000 1.081 300 F CA 1.115 59.046 58.000 -0.114 0.000 1.355 300 F CB -0.376 38.579 39.000 -0.074 0.000 1.069 300 F HN 0.394 nan 8.300 nan 0.000 0.506 301 H N -0.033 118.996 119.070 -0.068 0.000 2.252 301 H HA -0.141 4.415 4.556 -0.000 0.000 0.292 301 H C 2.481 177.610 175.328 -0.332 0.000 1.082 301 H CA 2.405 58.350 56.048 -0.173 0.000 1.229 301 H CB -0.949 28.782 29.762 -0.052 0.000 1.353 301 H HN 0.340 nan 8.280 nan 0.000 0.488 302 G N -0.478 108.168 108.800 -0.256 0.000 2.440 302 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 302 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 302 G C 1.897 176.473 174.900 -0.540 0.000 1.154 302 G CA 1.081 45.974 45.100 -0.345 0.000 0.767 302 G HN 0.638 nan 8.290 nan 0.000 0.552 303 A N 0.711 123.104 122.820 -0.712 0.000 1.902 303 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 303 A C 2.231 179.310 177.584 -0.840 0.000 1.181 303 A CA 2.356 53.720 52.037 -1.122 0.000 0.623 303 A CB -0.384 17.724 19.000 -1.486 0.000 0.818 303 A HN 0.331 nan 8.150 nan 0.000 0.443 304 K N 0.334 120.182 120.400 -0.921 0.000 2.097 304 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 304 K C 1.580 177.853 176.600 -0.545 0.000 1.049 304 K CA 1.477 57.267 56.287 -0.829 0.000 0.933 304 K CB -0.581 31.214 32.500 -1.175 0.000 0.717 304 K HN 0.546 nan 8.250 nan 0.000 0.442 305 I N -0.345 119.885 120.570 -0.567 0.000 2.142 305 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 305 I C 2.020 177.879 176.117 -0.430 0.000 1.078 305 I CA 1.075 62.108 61.300 -0.446 0.000 1.343 305 I CB -0.307 37.439 38.000 -0.424 0.000 1.046 305 I HN -0.073 nan 8.210 nan 0.000 0.405 306 V N 1.153 120.735 119.914 -0.553 0.000 2.255 306 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 306 V C 2.683 178.538 176.094 -0.398 0.000 1.051 306 V CA 2.421 64.288 62.300 -0.721 0.000 1.018 306 V CB -1.001 30.391 31.823 -0.719 0.000 0.641 306 V HN 0.620 nan 8.190 nan 0.000 0.445 307 S N -0.569 115.003 115.700 -0.213 0.000 2.383 307 S HA -0.252 4.218 4.470 -0.000 0.000 0.229 307 S C 1.922 176.445 174.600 -0.129 0.000 1.030 307 S CA 2.035 60.169 58.200 -0.111 0.000 1.002 307 S CB -0.947 62.226 63.200 -0.044 0.000 0.829 307 S HN 0.587 nan 8.310 nan 0.000 0.467 308 T N 2.272 116.725 114.554 -0.168 0.000 2.708 308 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 308 T C 1.929 176.572 174.700 -0.094 0.000 1.037 308 T CA 1.480 63.508 62.100 -0.121 0.000 1.146 308 T CB -0.598 68.187 68.868 -0.138 0.000 0.865 308 T HN 0.302 nan 8.240 nan 0.000 0.435 309 V N 1.318 121.154 119.914 -0.131 0.000 2.261 309 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 309 V C 2.470 178.540 176.094 -0.041 0.000 1.047 309 V CA 1.302 63.556 62.300 -0.075 0.000 1.015 309 V CB -0.647 31.112 31.823 -0.106 0.000 0.642 309 V HN 0.300 nan 8.190 nan 0.000 0.446 310 L N 0.856 122.025 121.223 -0.090 0.000 2.083 310 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 310 L C 2.715 179.585 176.870 -0.001 0.000 1.083 310 L CA 2.689 57.510 54.840 -0.031 0.000 0.752 310 L CB -1.392 40.627 42.059 -0.066 0.000 0.899 310 L HN 0.672 nan 8.230 nan 0.000 0.433 311 T N -6.015 108.526 114.554 -0.022 0.000 3.054 311 T HA 0.005 4.355 4.350 -0.000 0.000 0.259 311 T C 0.912 175.615 174.700 0.004 0.000 1.092 311 T CA 0.310 62.406 62.100 -0.007 0.000 1.121 311 T CB -0.504 68.355 68.868 -0.016 0.000 0.912 311 T HN 0.170 nan 8.240 nan 0.000 0.489 312 T N 3.955 118.512 114.554 0.005 0.000 2.794 312 T HA 0.317 4.667 4.350 -0.000 0.000 0.304 312 T C -1.858 172.863 174.700 0.034 0.000 0.973 312 T CA -1.176 60.934 62.100 0.015 0.000 0.972 312 T CB 1.380 70.254 68.868 0.009 0.000 0.952 312 T HN 0.047 nan 8.240 nan 0.000 0.509 313 P HA -0.227 nan 4.420 nan 0.000 0.217 313 P C 1.516 178.846 177.300 0.049 0.000 1.158 313 P CA 1.048 64.173 63.100 0.042 0.000 0.887 313 P CB 0.311 32.028 31.700 0.029 0.000 0.792 314 E N -0.871 119.353 120.200 0.041 0.000 2.077 314 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 314 E C 1.717 178.354 176.600 0.062 0.000 0.989 314 E CA 1.076 57.502 56.400 0.043 0.000 0.800 314 E CB -0.394 29.327 29.700 0.034 0.000 0.746 314 E HN 0.023 nan 8.360 nan 0.000 0.452 315 L N 1.065 122.328 121.223 0.067 0.000 2.109 315 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 315 L C 2.559 179.522 176.870 0.156 0.000 1.086 315 L CA 1.428 56.323 54.840 0.092 0.000 0.760 315 L CB -0.823 41.272 42.059 0.061 0.000 0.910 315 L HN 0.116 nan 8.230 nan 0.000 0.437 316 R N -0.243 120.350 120.500 0.156 0.000 2.073 316 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 316 R C 2.232 178.671 176.300 0.232 0.000 1.134 316 R CA 1.449 57.704 56.100 0.260 0.000 0.952 316 R CB -0.217 30.203 30.300 0.201 0.000 0.850 316 R HN 0.301 nan 8.270 nan 0.000 0.433 317 A N 1.085 123.977 122.820 0.121 0.000 1.883 317 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 317 A C 1.879 179.488 177.584 0.041 0.000 1.186 317 A CA 2.081 54.153 52.037 0.057 0.000 0.624 317 A CB -0.841 18.180 19.000 0.035 0.000 0.822 317 A HN 0.557 nan 8.150 nan 0.000 0.444 318 D N -1.863 118.582 120.400 0.075 0.000 2.144 318 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 318 D C 1.633 177.979 176.300 0.076 0.000 0.978 318 D CA 1.467 55.503 54.000 0.061 0.000 0.833 318 D CB -0.355 40.492 40.800 0.077 0.000 0.961 318 D HN 0.611 nan 8.370 nan 0.000 0.470 319 W N 0.865 122.136 121.300 -0.048 0.000 2.354 319 W HA -0.120 4.540 4.660 -0.000 0.000 0.315 319 W C 2.296 178.723 176.519 -0.153 0.000 1.206 319 W CA 1.580 58.868 57.345 -0.095 0.000 1.290 319 W CB -0.675 28.737 29.460 -0.080 0.000 1.152 319 W HN -0.068 nan 8.180 nan 0.000 0.489 320 M N 0.660 120.009 119.600 -0.418 0.000 2.082 320 M HA -0.254 4.226 4.480 -0.000 0.000 0.258 320 M C 2.379 178.405 176.300 -0.457 0.000 1.069 320 M CA 2.576 57.496 55.300 -0.634 0.000 1.102 320 M CB -0.975 31.435 32.600 -0.316 0.000 1.336 320 M HN 0.175 nan 8.290 nan 0.000 0.404 321 A N -0.363 122.302 122.820 -0.257 0.000 1.883 321 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 321 A C 1.971 179.428 177.584 -0.212 0.000 1.186 321 A CA 2.099 54.021 52.037 -0.191 0.000 0.624 321 A CB -0.849 18.088 19.000 -0.105 0.000 0.822 321 A HN 0.590 nan 8.150 nan 0.000 0.444 322 E N -0.904 119.172 120.200 -0.207 0.000 2.106 322 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 322 E C 1.850 178.264 176.600 -0.311 0.000 0.984 322 E CA 1.047 57.335 56.400 -0.187 0.000 0.806 322 E CB -0.132 29.511 29.700 -0.094 0.000 0.750 322 E HN 0.428 nan 8.360 nan 0.000 0.458 323 L N 1.525 122.454 121.223 -0.490 0.000 2.093 323 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 323 L C 2.161 178.717 176.870 -0.523 0.000 1.085 323 L CA 1.885 56.344 54.840 -0.635 0.000 0.755 323 L CB -0.420 41.076 42.059 -0.939 0.000 0.904 323 L HN 0.171 nan 8.230 nan 0.000 0.435 324 E N -0.700 119.250 120.200 -0.417 0.000 2.072 324 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 324 E C 2.091 178.551 176.600 -0.233 0.000 0.985 324 E CA 1.058 57.277 56.400 -0.300 0.000 0.801 324 E CB -0.097 29.459 29.700 -0.240 0.000 0.750 324 E HN 0.563 nan 8.360 nan 0.000 0.452 325 A N 0.634 123.328 122.820 -0.211 0.000 1.877 325 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 325 A C 2.411 179.904 177.584 -0.151 0.000 1.186 325 A CA 1.560 53.510 52.037 -0.145 0.000 0.620 325 A CB -0.787 18.147 19.000 -0.110 0.000 0.822 325 A HN 0.226 nan 8.150 nan 0.000 0.443 326 V N 0.403 120.165 119.914 -0.254 0.000 2.233 326 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 326 V C 2.686 178.647 176.094 -0.221 0.000 1.050 326 V CA 2.407 64.510 62.300 -0.329 0.000 1.010 326 V CB -0.860 30.541 31.823 -0.704 0.000 0.637 326 V HN 0.728 nan 8.190 nan 0.000 0.444 327 R N 0.145 120.474 120.500 -0.285 0.000 2.113 327 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 327 R C 2.396 178.648 176.300 -0.080 0.000 1.142 327 R CA 2.428 58.426 56.100 -0.171 0.000 0.953 327 R CB -0.520 29.649 30.300 -0.218 0.000 0.860 327 R HN 0.535 nan 8.270 nan 0.000 0.438 328 S N -0.241 115.404 115.700 -0.091 0.000 2.356 328 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 328 S C 1.903 176.492 174.600 -0.019 0.000 1.032 328 S CA 1.210 59.378 58.200 -0.052 0.000 1.005 328 S CB -0.585 62.578 63.200 -0.060 0.000 0.867 328 S HN 0.701 nan 8.310 nan 0.000 0.449 329 G N 1.878 110.673 108.800 -0.008 0.000 2.491 329 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 329 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 329 G C 1.397 176.328 174.900 0.051 0.000 1.180 329 G CA 1.153 46.273 45.100 0.035 0.000 0.774 329 G HN 0.416 nan 8.290 nan 0.000 0.562 330 M N -0.410 119.235 119.600 0.076 0.000 2.108 330 M HA -0.022 4.458 4.480 -0.000 0.000 0.261 330 M C 2.473 178.795 176.300 0.037 0.000 1.066 330 M CA 0.933 56.279 55.300 0.078 0.000 1.107 330 M CB -0.395 32.272 32.600 0.111 0.000 1.356 330 M HN 0.249 nan 8.290 nan 0.000 0.406 331 L N 0.509 121.747 121.223 0.024 0.000 2.131 331 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 331 L C 2.453 179.327 176.870 0.005 0.000 1.092 331 L CA 1.825 56.673 54.840 0.014 0.000 0.759 331 L CB -0.723 41.339 42.059 0.006 0.000 0.903 331 L HN 0.204 nan 8.230 nan 0.000 0.435 332 R N -1.085 119.418 120.500 0.005 0.000 2.090 332 R HA -0.075 4.265 4.340 -0.000 0.000 0.228 332 R C 2.215 178.513 176.300 -0.003 0.000 1.110 332 R CA 1.204 57.303 56.100 -0.001 0.000 0.973 332 R CB -0.195 30.106 30.300 0.001 0.000 0.869 332 R HN 0.419 nan 8.270 nan 0.000 0.440 333 L N 0.092 121.317 121.223 0.003 0.000 2.093 333 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 333 L C 2.622 179.481 176.870 -0.020 0.000 1.085 333 L CA 1.214 56.051 54.840 -0.006 0.000 0.755 333 L CB -0.329 41.732 42.059 0.003 0.000 0.904 333 L HN 0.194 nan 8.230 nan 0.000 0.435 334 R N -0.060 120.431 120.500 -0.015 0.000 2.081 334 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 334 R C 2.205 178.478 176.300 -0.046 0.000 1.131 334 R CA 1.452 57.533 56.100 -0.031 0.000 0.960 334 R CB -0.200 30.094 30.300 -0.011 0.000 0.856 334 R HN 0.257 nan 8.270 nan 0.000 0.436 335 E N 0.759 120.941 120.200 -0.030 0.000 2.031 335 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 335 E C 2.083 178.662 176.600 -0.036 0.000 0.994 335 E CA 1.471 57.853 56.400 -0.031 0.000 0.800 335 E CB 0.022 29.711 29.700 -0.019 0.000 0.752 335 E HN 0.289 nan 8.360 nan 0.000 0.447 336 Q N -0.093 119.689 119.800 -0.030 0.000 2.045 336 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 336 Q C 2.206 178.181 176.000 -0.042 0.000 0.991 336 Q CA 1.334 57.120 55.803 -0.030 0.000 0.851 336 Q CB -0.354 28.369 28.738 -0.025 0.000 0.911 336 Q HN 0.289 nan 8.270 nan 0.000 0.418 337 L N 0.560 121.749 121.223 -0.057 0.000 1.989 337 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 337 L C 2.226 179.038 176.870 -0.096 0.000 1.071 337 L CA 2.179 56.969 54.840 -0.082 0.000 0.749 337 L CB -1.087 40.912 42.059 -0.101 0.000 0.890 337 L HN 0.255 nan 8.230 nan 0.000 0.431 338 A N -0.413 122.344 122.820 -0.105 0.000 1.972 338 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 338 A C 2.323 179.880 177.584 -0.045 0.000 1.169 338 A CA 1.545 53.520 52.037 -0.103 0.000 0.635 338 A CB -1.136 17.795 19.000 -0.115 0.000 0.810 338 A HN 0.550 nan 8.150 nan 0.000 0.446 339 G N -0.632 108.145 108.800 -0.038 0.000 2.404 339 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 339 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 339 G C 1.444 176.338 174.900 -0.011 0.000 1.174 339 G CA 0.853 45.941 45.100 -0.020 0.000 0.780 339 G HN 0.469 nan 8.290 nan 0.000 0.537 340 E N 0.485 120.674 120.200 -0.018 0.000 2.038 340 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 340 E C 2.718 179.323 176.600 0.008 0.000 1.000 340 E CA 0.764 57.157 56.400 -0.011 0.000 0.803 340 E CB -0.429 29.256 29.700 -0.026 0.000 0.750 340 E HN 0.414 nan 8.360 nan 0.000 0.448 341 L N 0.559 121.791 121.223 0.015 0.000 2.079 341 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 341 L C 2.729 179.667 176.870 0.113 0.000 1.081 341 L CA 1.311 56.210 54.840 0.098 0.000 0.752 341 L CB -0.492 41.653 42.059 0.143 0.000 0.896 341 L HN 0.076 nan 8.230 nan 0.000 0.433 342 R N 0.847 121.384 120.500 0.062 0.000 2.083 342 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 342 R C 1.690 178.001 176.300 0.018 0.000 1.137 342 R CA 2.011 58.130 56.100 0.032 0.000 0.951 342 R CB -0.692 29.615 30.300 0.011 0.000 0.851 342 R HN 0.256 nan 8.270 nan 0.000 0.434 343 D N -0.225 120.184 120.400 0.015 0.000 2.309 343 D HA -0.092 4.548 4.640 -0.000 0.000 0.212 343 D C 0.474 176.782 176.300 0.014 0.000 0.968 343 D CA 0.883 54.889 54.000 0.010 0.000 0.882 343 D CB 0.072 40.876 40.800 0.006 0.000 0.918 343 D HN 0.210 nan 8.370 nan 0.000 0.503 344 L N -0.042 121.197 121.223 0.027 0.000 2.848 344 L HA 0.173 4.513 4.340 -0.000 0.000 0.240 344 L C 0.957 177.843 176.870 0.027 0.000 1.232 344 L CA 0.051 54.910 54.840 0.032 0.000 1.031 344 L CB 0.056 42.143 42.059 0.047 0.000 1.338 344 L HN -0.066 nan 8.230 nan 0.000 0.509 345 S N -4.162 111.541 115.700 0.005 0.000 2.702 345 S HA 0.401 4.870 4.470 -0.000 0.000 0.257 345 S C 1.175 175.755 174.600 -0.034 0.000 0.981 345 S CA 0.338 58.520 58.200 -0.030 0.000 1.414 345 S CB 0.263 63.419 63.200 -0.073 0.000 1.239 345 S HN 0.404 nan 8.310 nan 0.000 0.676 346 G N 1.540 110.329 108.800 -0.018 0.000 3.909 346 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 346 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 346 G C 0.214 175.103 174.900 -0.018 0.000 1.404 346 G CA 0.321 45.411 45.100 -0.017 0.000 0.905 346 G HN 1.828 nan 8.290 nan 0.000 0.589 347 S N 1.142 116.825 115.700 -0.028 0.000 2.742 347 S HA 0.489 4.959 4.470 -0.000 0.000 0.159 347 S C -1.146 173.431 174.600 -0.038 0.000 0.676 347 S CA 0.986 59.171 58.200 -0.025 0.000 0.897 347 S CB -0.531 62.658 63.200 -0.018 0.000 1.530 347 S HN 1.504 nan 8.310 nan 0.000 0.465 348 D N 1.411 121.778 120.400 -0.054 0.000 2.759 348 D HA 0.400 5.040 4.640 -0.000 0.000 0.321 348 D C 1.173 177.423 176.300 -0.083 0.000 1.267 348 D CA -0.793 53.161 54.000 -0.077 0.000 0.933 348 D CB 0.152 40.885 40.800 -0.112 0.000 1.431 348 D HN 0.091 nan 8.370 nan 0.000 0.504 349 R N 0.114 120.567 120.500 -0.080 0.000 2.557 349 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 349 R C 0.360 176.775 176.300 0.192 0.000 0.958 349 R CA 1.644 57.749 56.100 0.007 0.000 0.922 349 R CB -1.773 28.507 30.300 -0.033 0.000 0.789 349 R HN 0.514 nan 8.270 nan 0.000 0.493 350 F N 1.246 121.211 119.950 0.025 0.000 2.772 350 F HA 0.237 4.764 4.527 -0.000 0.000 0.302 350 F C 2.288 177.849 175.800 -0.399 0.000 1.225 350 F CA 0.051 57.947 58.000 -0.173 0.000 1.429 350 F CB -0.731 38.175 39.000 -0.157 0.000 1.104 350 F HN 0.266 nan 8.300 nan 0.000 0.550 351 G N -0.164 108.625 108.800 -0.019 0.000 2.511 351 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 351 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 351 G C 1.600 176.412 174.900 -0.146 0.000 1.133 351 G CA 0.465 45.515 45.100 -0.083 0.000 0.792 351 G HN 0.435 nan 8.290 nan 0.000 0.539 352 F N 1.221 121.146 119.950 -0.042 0.000 2.192 352 F HA -0.129 4.398 4.527 -0.000 0.000 0.301 352 F C 2.183 177.767 175.800 -0.360 0.000 1.079 352 F CA 0.777 58.662 58.000 -0.192 0.000 1.303 352 F CB -1.012 37.849 39.000 -0.231 0.000 1.024 352 F HN -0.007 nan 8.300 nan 0.000 0.494 353 V N 1.394 120.828 119.914 -0.800 0.000 2.324 353 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 353 V C 2.911 178.909 176.094 -0.159 0.000 1.060 353 V CA 2.083 64.102 62.300 -0.469 0.000 1.042 353 V CB -1.564 29.959 31.823 -0.499 0.000 0.650 353 V HN 0.609 nan 8.190 nan 0.000 0.450 354 A N -0.821 121.918 122.820 -0.136 0.000 2.119 354 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 354 A C 2.051 179.651 177.584 0.027 0.000 1.153 354 A CA 1.397 53.411 52.037 -0.039 0.000 0.692 354 A CB -0.289 18.685 19.000 -0.042 0.000 0.799 354 A HN 0.545 nan 8.150 nan 0.000 0.458 355 E N -0.565 119.669 120.200 0.056 0.000 2.276 355 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 355 E C 0.185 176.937 176.600 0.253 0.000 0.983 355 E CA 0.137 56.617 56.400 0.134 0.000 0.861 355 E CB -0.152 29.634 29.700 0.144 0.000 0.817 355 E HN 0.761 nan 8.360 nan 0.000 0.485 356 H N 0.323 119.484 119.070 0.151 0.000 2.815 356 H HA 0.230 4.785 4.556 -0.000 0.000 0.350 356 H C 0.016 175.414 175.328 0.116 0.000 1.080 356 H CA -0.199 55.951 56.048 0.169 0.000 1.433 356 H CB 0.705 30.601 29.762 0.224 0.000 1.432 356 H HN -0.213 nan 8.280 nan 0.000 0.592 357 R N 1.674 122.298 120.500 0.207 0.000 2.439 357 R HA 0.443 4.783 4.340 -0.000 0.000 0.310 357 R C -0.435 175.918 176.300 0.089 0.000 0.955 357 R CA 0.260 56.441 56.100 0.133 0.000 0.853 357 R CB 1.340 31.715 30.300 0.126 0.000 1.171 357 R HN 0.939 nan 8.270 nan 0.000 0.449 358 G N 2.142 110.963 108.800 0.035 0.000 2.347 358 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.224 358 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.224 358 G C -0.517 174.262 174.900 -0.202 0.000 1.318 358 G CA -0.040 45.000 45.100 -0.100 0.000 1.016 358 G HN 0.537 nan 8.290 nan 0.000 0.469 359 M N -0.578 118.713 119.600 -0.516 0.000 2.304 359 M HA 0.548 5.028 4.480 -0.000 0.000 0.281 359 M C -0.627 175.269 176.300 -0.673 0.000 1.014 359 M CA 0.212 55.125 55.300 -0.646 0.000 1.054 359 M CB 0.521 32.509 32.600 -1.020 0.000 1.551 359 M HN 0.249 nan 8.290 nan 0.000 0.548 360 F N -0.978 118.905 119.950 -0.113 0.000 2.594 360 F HA 0.699 5.226 4.527 -0.000 0.000 0.335 360 F C -0.003 175.822 175.800 0.042 0.000 1.058 360 F CA -1.153 56.824 58.000 -0.038 0.000 0.981 360 F CB 1.788 40.751 39.000 -0.062 0.000 1.289 360 F HN -0.276 nan 8.300 nan 0.000 0.490 361 S N 0.660 116.547 115.700 0.311 0.000 2.584 361 S HA 0.405 4.875 4.470 -0.000 0.000 0.280 361 S C -1.371 173.404 174.600 0.291 0.000 1.162 361 S CA -0.839 57.587 58.200 0.377 0.000 0.951 361 S CB 0.847 64.274 63.200 0.379 0.000 1.108 361 S HN 0.543 nan 8.310 nan 0.000 0.464 362 R N 4.317 124.969 120.500 0.253 0.000 2.265 362 R HA 0.371 4.711 4.340 -0.000 0.000 0.314 362 R C 0.801 177.245 176.300 0.239 0.000 1.053 362 R CA -0.326 55.843 56.100 0.114 0.000 0.931 362 R CB 0.749 30.959 30.300 -0.151 0.000 1.024 362 R HN 0.642 nan 8.270 nan 0.000 0.457 363 L N 0.624 121.960 121.223 0.188 0.000 1.972 363 L HA 0.074 4.414 4.340 -0.000 0.000 0.209 363 L C 1.586 178.562 176.870 0.177 0.000 1.125 363 L CA 1.673 56.652 54.840 0.232 0.000 0.784 363 L CB -0.199 41.919 42.059 0.099 0.000 0.902 363 L HN 0.902 nan 8.230 nan 0.000 0.444 364 G N -2.072 106.806 108.800 0.130 0.000 4.080 364 G HA2 0.028 3.988 3.960 -0.000 0.000 0.219 364 G HA3 0.028 3.988 3.960 -0.000 0.000 0.219 364 G C 0.233 175.195 174.900 0.103 0.000 0.843 364 G CA -0.032 45.142 45.100 0.124 0.000 0.856 364 G HN 0.481 nan 8.290 nan 0.000 0.616 365 A N 2.216 125.091 122.820 0.092 0.000 2.573 365 A HA 0.476 4.796 4.320 -0.000 0.000 0.250 365 A C 1.273 178.892 177.584 0.057 0.000 1.049 365 A CA 1.307 53.386 52.037 0.071 0.000 0.767 365 A CB -0.487 18.543 19.000 0.049 0.000 0.965 365 A HN 1.625 nan 8.150 nan 0.000 0.514 366 T N 2.032 116.620 114.554 0.055 0.000 2.795 366 T HA 0.245 4.595 4.350 -0.000 0.000 0.314 366 T C -0.979 173.742 174.700 0.035 0.000 1.069 366 T CA -0.478 61.649 62.100 0.044 0.000 1.071 366 T CB 0.265 69.159 68.868 0.042 0.000 0.988 366 T HN 0.509 nan 8.240 nan 0.000 0.543 367 P HA -0.212 nan 4.420 nan 0.000 0.216 367 P C 1.033 178.346 177.300 0.022 0.000 1.157 367 P CA 1.772 64.885 63.100 0.022 0.000 0.880 367 P CB 0.012 31.722 31.700 0.018 0.000 0.791 368 E N 0.348 120.562 120.200 0.024 0.000 2.106 368 E HA -0.163 4.186 4.350 -0.000 0.000 0.192 368 E C 2.370 178.989 176.600 0.031 0.000 0.984 368 E CA 0.985 57.399 56.400 0.024 0.000 0.806 368 E CB -1.140 28.574 29.700 0.024 0.000 0.750 368 E HN 0.409 nan 8.360 nan 0.000 0.458 369 Q N 0.597 120.420 119.800 0.038 0.000 2.096 369 Q HA -0.129 4.210 4.340 -0.000 0.000 0.204 369 Q C 2.320 178.346 176.000 0.044 0.000 0.982 369 Q CA 1.624 57.456 55.803 0.048 0.000 0.850 369 Q CB -0.212 28.557 28.738 0.052 0.000 0.901 369 Q HN 0.210 nan 8.270 nan 0.000 0.422 370 V N 2.171 122.103 119.914 0.031 0.000 2.261 370 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 370 V C 2.336 178.434 176.094 0.008 0.000 1.047 370 V CA 2.374 64.686 62.300 0.020 0.000 1.015 370 V CB -0.764 31.069 31.823 0.017 0.000 0.642 370 V HN 0.479 nan 8.190 nan 0.000 0.446 371 K N 0.877 121.280 120.400 0.005 0.000 2.103 371 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 371 K C 2.248 178.842 176.600 -0.009 0.000 1.048 371 K CA 2.039 58.318 56.287 -0.013 0.000 0.930 371 K CB -0.416 32.081 32.500 -0.004 0.000 0.716 371 K HN 0.303 nan 8.250 nan 0.000 0.444 372 R N 0.972 121.485 120.500 0.022 0.000 2.081 372 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 372 R C 2.282 178.636 176.300 0.090 0.000 1.131 372 R CA 1.613 57.739 56.100 0.043 0.000 0.960 372 R CB -0.253 30.087 30.300 0.067 0.000 0.856 372 R HN 0.295 nan 8.270 nan 0.000 0.436 373 I N 1.436 122.084 120.570 0.131 0.000 2.226 373 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 373 I C 2.397 178.589 176.117 0.126 0.000 1.100 373 I CA 1.810 63.252 61.300 0.236 0.000 1.374 373 I CB -0.317 37.744 38.000 0.102 0.000 1.057 373 I HN 0.318 nan 8.210 nan 0.000 0.413 374 K N 1.107 121.479 120.400 -0.047 0.000 2.062 374 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 374 K C 1.643 178.115 176.600 -0.214 0.000 1.051 374 K CA 1.400 57.532 56.287 -0.258 0.000 0.941 374 K CB -0.329 31.878 32.500 -0.487 0.000 0.719 374 K HN 0.302 nan 8.250 nan 0.000 0.440 375 E N 0.451 120.579 120.200 -0.120 0.000 2.347 375 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 375 E C 1.363 177.914 176.600 -0.082 0.000 1.008 375 E CA 0.801 57.150 56.400 -0.086 0.000 0.852 375 E CB 0.269 29.935 29.700 -0.057 0.000 0.783 375 E HN 0.498 nan 8.360 nan 0.000 0.505 376 E N -0.520 119.623 120.200 -0.095 0.000 2.280 376 E HA 0.061 4.411 4.350 -0.000 0.000 0.197 376 E C 1.222 177.668 176.600 -0.258 0.000 0.913 376 E CA 0.045 56.311 56.400 -0.223 0.000 0.995 376 E CB 0.046 29.526 29.700 -0.368 0.000 0.991 376 E HN 0.122 nan 8.360 nan 0.000 0.484 377 F N 0.853 120.792 119.950 -0.019 0.000 2.811 377 F HA 0.201 4.728 4.527 -0.000 0.000 0.301 377 F C 1.564 177.373 175.800 0.015 0.000 1.151 377 F CA 0.776 58.776 58.000 -0.001 0.000 1.412 377 F CB 0.263 39.263 39.000 -0.000 0.000 1.113 377 F HN 0.180 nan 8.300 nan 0.000 0.579 378 G N 1.670 110.544 108.800 0.123 0.000 2.187 378 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 378 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 378 G C 0.365 175.400 174.900 0.225 0.000 1.000 378 G CA 0.461 45.641 45.100 0.133 0.000 0.718 378 G HN 0.505 nan 8.290 nan 0.000 0.519 379 I N 0.146 120.806 120.570 0.150 0.000 2.307 379 I HA 0.616 4.786 4.170 -0.000 0.000 0.289 379 I C -0.413 175.762 176.117 0.097 0.000 1.021 379 I CA -1.497 59.913 61.300 0.183 0.000 1.224 379 I CB 0.353 38.421 38.000 0.113 0.000 1.376 379 I HN 0.027 nan 8.210 nan 0.000 0.470 380 Y N 8.355 128.704 120.300 0.082 0.000 2.404 380 Y HA 0.427 4.977 4.550 -0.000 0.000 0.344 380 Y C 0.417 176.313 175.900 -0.007 0.000 0.995 380 Y CA -0.589 57.540 58.100 0.047 0.000 1.201 380 Y CB 0.908 39.397 38.460 0.048 0.000 1.151 380 Y HN 0.556 nan 8.280 nan 0.000 0.517 381 M N 0.797 120.466 119.600 0.114 0.000 2.446 381 M HA 0.687 5.167 4.480 -0.000 0.000 0.294 381 M C -1.399 174.938 176.300 0.062 0.000 1.158 381 M CA -1.269 54.075 55.300 0.073 0.000 0.899 381 M CB 1.589 34.216 32.600 0.046 0.000 1.687 381 M HN 0.101 nan 8.290 nan 0.000 0.455 382 V N 3.153 123.096 119.914 0.049 0.000 2.644 382 V HA 0.028 4.148 4.120 -0.000 0.000 0.305 382 V C 1.747 177.851 176.094 0.016 0.000 1.053 382 V CA 1.313 63.629 62.300 0.026 0.000 1.186 382 V CB 0.380 32.199 31.823 -0.006 0.000 0.895 382 V HN 1.163 nan 8.190 nan 0.000 0.490 383 G N 4.244 113.052 108.800 0.014 0.000 2.661 383 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.224 383 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.224 383 G C 0.867 175.770 174.900 0.006 0.000 1.114 383 G CA 1.137 46.243 45.100 0.010 0.000 0.751 383 G HN 1.014 nan 8.290 nan 0.000 0.609 384 D N -0.217 120.180 120.400 -0.005 0.000 2.400 384 D HA 0.078 4.718 4.640 -0.000 0.000 0.243 384 D C 1.303 177.602 176.300 -0.002 0.000 1.184 384 D CA 0.879 54.874 54.000 -0.009 0.000 0.853 384 D CB -0.749 40.033 40.800 -0.031 0.000 0.944 384 D HN 0.678 nan 8.370 nan 0.000 0.501 385 S N -1.130 114.578 115.700 0.013 0.000 3.476 385 S HA -0.343 4.127 4.470 -0.000 0.000 0.309 385 S C 0.368 174.990 174.600 0.036 0.000 1.222 385 S CA 0.482 58.699 58.200 0.028 0.000 0.922 385 S CB -2.390 60.836 63.200 0.043 0.000 1.023 385 S HN 0.690 nan 8.310 nan 0.000 0.591 386 R N 1.633 122.145 120.500 0.020 0.000 2.248 386 R HA 0.573 4.913 4.340 -0.000 0.000 0.328 386 R C 0.580 176.936 176.300 0.092 0.000 1.067 386 R CA -0.104 56.019 56.100 0.038 0.000 0.924 386 R CB 0.110 30.383 30.300 -0.046 0.000 1.013 386 R HN 0.725 nan 8.270 nan 0.000 0.454 387 I N 1.597 122.247 120.570 0.134 0.000 2.441 387 I HA 0.364 4.534 4.170 -0.000 0.000 0.295 387 I C -0.545 175.682 176.117 0.183 0.000 0.994 387 I CA -1.029 60.345 61.300 0.124 0.000 1.144 387 I CB 1.829 39.865 38.000 0.061 0.000 1.314 387 I HN 0.412 nan 8.210 nan 0.000 0.445 388 N N 5.862 124.649 118.700 0.145 0.000 2.439 388 N HA 0.164 4.904 4.740 -0.000 0.000 0.243 388 N C 0.690 176.186 175.510 -0.023 0.000 1.088 388 N CA -0.539 52.545 53.050 0.056 0.000 0.940 388 N CB 0.894 39.408 38.487 0.046 0.000 1.180 388 N HN 0.812 nan 8.380 nan 0.000 0.505 389 I N 2.301 122.846 120.570 -0.042 0.000 2.567 389 I HA -0.056 4.114 4.170 -0.000 0.000 0.257 389 I C 1.859 177.959 176.117 -0.028 0.000 1.184 389 I CA 1.095 62.378 61.300 -0.029 0.000 1.451 389 I CB -0.769 37.222 38.000 -0.014 0.000 1.089 389 I HN 0.391 nan 8.210 nan 0.000 0.441 390 A N 1.241 124.040 122.820 -0.036 0.000 2.015 390 A HA 0.213 4.533 4.320 -0.000 0.000 0.219 390 A C 2.032 179.557 177.584 -0.098 0.000 1.163 390 A CA 1.051 53.088 52.037 -0.001 0.000 0.646 390 A CB -1.352 17.705 19.000 0.094 0.000 0.806 390 A HN 0.549 nan 8.150 nan 0.000 0.448 391 G N -0.237 108.506 108.800 -0.095 0.000 3.506 391 G HA2 0.481 4.441 3.960 -0.000 0.000 0.268 391 G HA3 0.481 4.441 3.960 -0.000 0.000 0.268 391 G C -0.766 174.089 174.900 -0.075 0.000 0.959 391 G CA -0.042 44.992 45.100 -0.110 0.000 1.823 391 G HN 0.289 nan 8.290 nan 0.000 0.615 392 L N 0.910 122.092 121.223 -0.068 0.000 2.724 392 L HA 0.583 4.923 4.340 -0.000 0.000 0.258 392 L C -1.661 175.184 176.870 -0.043 0.000 0.967 392 L CA -0.753 54.059 54.840 -0.047 0.000 0.891 392 L CB 2.374 44.410 42.059 -0.039 0.000 1.456 392 L HN 0.512 nan 8.230 nan 0.000 0.416 393 N N -1.030 117.649 118.700 -0.035 0.000 2.825 393 N HA 0.337 5.077 4.740 -0.000 0.000 0.253 393 N C -0.440 175.056 175.510 -0.022 0.000 1.426 393 N CA -0.226 52.807 53.050 -0.028 0.000 0.851 393 N CB 0.437 38.905 38.487 -0.033 0.000 1.470 393 N HN 0.538 nan 8.380 nan 0.000 0.517 394 D N -1.119 119.270 120.400 -0.017 0.000 2.354 394 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 394 D C 0.123 176.416 176.300 -0.012 0.000 0.970 394 D CA 1.181 55.173 54.000 -0.014 0.000 0.905 394 D CB -0.359 40.434 40.800 -0.011 0.000 0.903 394 D HN 0.560 nan 8.370 nan 0.000 0.508 395 N N -1.039 117.654 118.700 -0.012 0.000 2.405 395 N HA 0.006 4.746 4.740 -0.000 0.000 0.175 395 N C 1.235 176.743 175.510 -0.004 0.000 1.051 395 N CA 1.330 54.376 53.050 -0.007 0.000 0.899 395 N CB 0.385 38.868 38.487 -0.007 0.000 1.000 395 N HN 0.414 nan 8.380 nan 0.000 0.451 396 T N -2.520 112.029 114.554 -0.009 0.000 2.971 396 T HA 0.304 4.654 4.350 -0.000 0.000 0.252 396 T C 1.697 176.386 174.700 -0.018 0.000 1.022 396 T CA -0.180 61.916 62.100 -0.006 0.000 0.980 396 T CB -0.121 68.743 68.868 -0.005 0.000 1.044 396 T HN -0.016 nan 8.240 nan 0.000 0.501 397 I N 2.172 122.727 120.570 -0.025 0.000 2.163 397 I HA -0.059 4.111 4.170 -0.000 0.000 0.243 397 I C -0.683 175.410 176.117 -0.040 0.000 1.085 397 I CA 1.299 62.576 61.300 -0.037 0.000 1.347 397 I CB -1.046 36.932 38.000 -0.036 0.000 1.044 397 I HN 0.195 nan 8.210 nan 0.000 0.408 398 P HA -0.156 nan 4.420 nan 0.000 0.215 398 P C 1.835 179.118 177.300 -0.028 0.000 1.153 398 P CA 1.542 64.629 63.100 -0.022 0.000 0.853 398 P CB -0.015 31.680 31.700 -0.009 0.000 0.788 399 I N -1.452 119.107 120.570 -0.019 0.000 2.163 399 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 399 I C 2.251 178.324 176.117 -0.074 0.000 1.085 399 I CA 1.166 62.457 61.300 -0.015 0.000 1.347 399 I CB -0.741 37.270 38.000 0.018 0.000 1.044 399 I HN -0.044 nan 8.210 nan 0.000 0.408 400 L N 1.310 122.487 121.223 -0.078 0.000 2.017 400 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 400 L C 2.604 179.382 176.870 -0.155 0.000 1.073 400 L CA 2.100 56.867 54.840 -0.122 0.000 0.745 400 L CB -0.829 41.174 42.059 -0.093 0.000 0.894 400 L HN 0.179 nan 8.230 nan 0.000 0.432 401 A N -0.066 122.687 122.820 -0.112 0.000 1.873 401 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 401 A C 2.459 179.985 177.584 -0.097 0.000 1.193 401 A CA 2.283 54.263 52.037 -0.094 0.000 0.629 401 A CB -0.670 18.298 19.000 -0.053 0.000 0.826 401 A HN 0.545 nan 8.150 nan 0.000 0.447 402 R N -0.844 119.598 120.500 -0.098 0.000 2.075 402 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 402 R C 2.535 178.685 176.300 -0.251 0.000 1.126 402 R CA 1.071 57.113 56.100 -0.097 0.000 0.963 402 R CB -0.492 29.788 30.300 -0.033 0.000 0.858 402 R HN 0.532 nan 8.270 nan 0.000 0.435 403 A N 1.947 124.491 122.820 -0.461 0.000 1.883 403 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 403 A C 2.205 179.375 177.584 -0.689 0.000 1.186 403 A CA 1.809 53.194 52.037 -1.087 0.000 0.624 403 A CB -0.682 17.766 19.000 -0.921 0.000 0.822 403 A HN 0.513 nan 8.150 nan 0.000 0.444 404 I N -3.288 117.078 120.570 -0.340 0.000 2.617 404 I HA -0.070 4.100 4.170 -0.000 0.000 0.256 404 I C 1.832 177.914 176.117 -0.059 0.000 1.167 404 I CA 0.839 62.035 61.300 -0.173 0.000 1.469 404 I CB -0.179 37.733 38.000 -0.148 0.000 1.098 404 I HN 0.108 nan 8.210 nan 0.000 0.436 405 I N 1.892 122.432 120.570 -0.051 0.000 2.202 405 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 405 I C 2.645 178.781 176.117 0.032 0.000 1.091 405 I CA 1.443 62.762 61.300 0.032 0.000 1.368 405 I CB -1.269 36.750 38.000 0.031 0.000 1.058 405 I HN 0.340 nan 8.210 nan 0.000 0.410 406 E N 0.300 120.506 120.200 0.009 0.000 2.150 406 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 406 E C 2.250 178.922 176.600 0.120 0.000 0.985 406 E CA 0.673 57.131 56.400 0.097 0.000 0.814 406 E CB -0.503 29.332 29.700 0.225 0.000 0.752 406 E HN 0.260 nan 8.360 nan 0.000 0.466 407 V N 0.327 120.286 119.914 0.075 0.000 3.305 407 V HA -0.051 4.069 4.120 -0.000 0.000 0.269 407 V C 1.259 177.403 176.094 0.083 0.000 1.157 407 V CA 1.231 63.593 62.300 0.103 0.000 1.157 407 V CB -1.007 30.854 31.823 0.064 0.000 0.772 407 V HN 0.404 nan 8.190 nan 0.000 0.498 408 G N -0.108 108.738 108.800 0.077 0.000 2.627 408 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.312 408 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.312 408 G C 0.132 175.084 174.900 0.086 0.000 1.299 408 G CA 0.731 45.878 45.100 0.078 0.000 0.989 408 G HN 1.424 nan 8.290 nan 0.000 0.547 409 V N 0.000 119.957 119.914 0.071 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.342 62.300 0.070 0.000 1.235 409 V CB 0.000 31.875 31.823 0.086 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556