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 2g04_1_D DATA FIRST_RESID 4 DATA SEQUENCE GGPLAGVKVI ELGGIGPGPH AGMVLADLGA DVVRVRRPGG LTMPSEDRDL DATA SEQUENCE LHRGKRIVDL DVXXXPQAML ELAAKADVLL DCFRPGTCER LGIGPDDCAS DATA SEQUENCE VNPRLIFARI TGWGQDGPLA STAGHDINYL SQTGALAAFG YADRPPMPPL DATA SEQUENCE NLVADFGGGS MLVLLGIVVA LYERERSGVG QVVDAAMVDG VSVLAQMMWT DATA SEQUENCE MKGIGSLRDQ RESFLLDGGA PFYRCYETSD GKYMAVGAIE PQFFAALLSG DATA SEQUENCE LGLSAADVPT QLDVAGYPQM YDIFAERFAS RTRDEWTRVF AGTDACVTPV DATA SEQUENCE LAWSEAANND HLKARSTVIT AHGVQQAAPA PRFSRTPAGP VRPPPAAATP DATA SEQUENCE IDEINW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 4 G C 0.000 174.871 174.900 -0.048 0.000 0.946 4 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 5 G N 2.200 110.958 108.800 -0.070 0.000 2.764 5 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 5 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 5 G C -0.793 173.993 174.900 -0.190 0.000 1.258 5 G CA -0.116 44.907 45.100 -0.129 0.000 0.846 5 G HN 0.506 nan 8.290 nan 0.000 0.596 6 P HA -0.045 nan 4.420 nan 0.000 0.223 6 P C 1.590 178.759 177.300 -0.218 0.000 1.151 6 P CA 0.965 63.855 63.100 -0.350 0.000 0.787 6 P CB 0.209 31.484 31.700 -0.707 0.000 0.788 7 L N -0.818 120.291 121.223 -0.188 0.000 2.685 7 L HA 0.272 4.612 4.340 -0.000 0.000 0.233 7 L C 1.007 177.825 176.870 -0.087 0.000 1.173 7 L CA -0.674 54.097 54.840 -0.115 0.000 0.961 7 L CB -0.397 41.607 42.059 -0.091 0.000 1.217 7 L HN -0.137 nan 8.230 nan 0.000 0.478 8 A N -0.100 122.669 122.820 -0.085 0.000 2.546 8 A HA 0.391 4.711 4.320 -0.000 0.000 0.243 8 A C 1.398 178.949 177.584 -0.056 0.000 1.063 8 A CA 0.903 52.906 52.037 -0.057 0.000 0.757 8 A CB -0.055 18.915 19.000 -0.050 0.000 0.991 8 A HN 0.609 nan 8.150 nan 0.000 0.503 9 G N 0.967 109.738 108.800 -0.047 0.000 2.213 9 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.226 9 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.226 9 G C 0.223 175.051 174.900 -0.120 0.000 0.992 9 G CA -0.010 45.051 45.100 -0.066 0.000 0.632 9 G HN 1.457 nan 8.290 nan 0.000 0.511 10 V N 3.254 123.099 119.914 -0.116 0.000 2.470 10 V HA 0.363 4.483 4.120 -0.000 0.000 0.276 10 V C 0.338 176.292 176.094 -0.234 0.000 1.040 10 V CA -0.377 61.827 62.300 -0.160 0.000 1.008 10 V CB 1.341 33.097 31.823 -0.111 0.000 0.990 10 V HN 0.253 nan 8.190 nan 0.000 0.477 11 K N 5.005 125.147 120.400 -0.430 0.000 2.285 11 K HA 0.507 4.827 4.320 -0.000 0.000 0.286 11 K C -0.680 175.638 176.600 -0.469 0.000 1.072 11 K CA -0.266 55.540 56.287 -0.801 0.000 0.913 11 K CB 1.440 33.033 32.500 -1.511 0.000 1.067 11 K HN 0.431 nan 8.250 nan 0.000 0.479 12 V N 4.068 123.867 119.914 -0.193 0.000 2.604 12 V HA 0.508 4.628 4.120 -0.000 0.000 0.305 12 V C 0.097 176.269 176.094 0.130 0.000 1.043 12 V CA -0.965 61.313 62.300 -0.037 0.000 0.888 12 V CB 1.850 33.668 31.823 -0.007 0.000 0.995 12 V HN 0.566 nan 8.190 nan 0.000 0.429 13 I N 2.987 123.598 120.570 0.069 0.000 2.382 13 I HA 0.439 4.609 4.170 -0.000 0.000 0.285 13 I C -0.034 176.090 176.117 0.011 0.000 1.007 13 I CA -0.250 61.109 61.300 0.098 0.000 1.142 13 I CB 1.634 39.690 38.000 0.093 0.000 1.289 13 I HN 0.694 nan 8.210 nan 0.000 0.453 14 E N 4.880 125.090 120.200 0.017 0.000 2.227 14 E HA 0.349 4.699 4.350 -0.000 0.000 0.282 14 E C -0.432 176.141 176.600 -0.045 0.000 1.015 14 E CA -0.434 55.952 56.400 -0.023 0.000 0.823 14 E CB 1.442 31.146 29.700 0.008 0.000 1.081 14 E HN 0.492 nan 8.360 nan 0.000 0.396 15 L N 2.953 124.102 121.223 -0.123 0.000 2.738 15 L HA 0.314 4.654 4.340 -0.000 0.000 0.178 15 L C 1.158 177.781 176.870 -0.412 0.000 1.281 15 L CA 0.749 55.484 54.840 -0.174 0.000 0.864 15 L CB -0.854 41.126 42.059 -0.131 0.000 1.224 15 L HN 0.616 nan 8.230 nan 0.000 0.520 16 G N -0.856 107.404 108.800 -0.901 0.000 2.491 16 G HA2 0.367 4.327 3.960 -0.000 0.000 0.238 16 G HA3 0.367 4.327 3.960 -0.000 0.000 0.238 16 G C 0.223 174.969 174.900 -0.257 0.000 1.277 16 G CA 0.245 44.856 45.100 -0.815 0.000 0.851 16 G HN 0.447 nan 8.290 nan 0.000 0.573 17 G N 0.351 109.095 108.800 -0.094 0.000 4.928 17 G HA2 0.509 4.469 3.960 -0.000 0.000 0.321 17 G HA3 0.509 4.469 3.960 -0.000 0.000 0.321 17 G C -0.547 174.387 174.900 0.055 0.000 1.455 17 G CA -0.366 44.753 45.100 0.032 0.000 1.081 17 G HN 0.803 nan 8.290 nan 0.000 0.569 18 I N -1.924 118.665 120.570 0.032 0.000 2.649 18 I HA 0.794 4.964 4.170 -0.000 0.000 0.289 18 I C 0.798 176.959 176.117 0.073 0.000 1.222 18 I CA -0.649 60.685 61.300 0.057 0.000 1.046 18 I CB 1.047 39.083 38.000 0.060 0.000 1.272 18 I HN 0.612 nan 8.210 nan 0.000 0.425 19 G N 5.923 114.797 108.800 0.123 0.000 2.629 19 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.313 19 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.313 19 G C -1.071 174.012 174.900 0.306 0.000 1.217 19 G CA 0.577 45.806 45.100 0.215 0.000 0.994 19 G HN 0.640 nan 8.290 nan 0.000 0.549 20 P HA -0.193 nan 4.420 nan 0.000 0.217 20 P C 2.074 179.480 177.300 0.177 0.000 1.162 20 P CA 3.333 66.577 63.100 0.240 0.000 0.901 20 P CB -0.950 30.805 31.700 0.091 0.000 0.793 21 G N 1.417 110.265 108.800 0.080 0.000 2.628 21 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 21 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 21 G C -0.465 174.465 174.900 0.050 0.000 1.240 21 G CA 2.060 47.177 45.100 0.028 0.000 0.792 21 G HN 0.312 nan 8.290 nan 0.000 0.593 22 P HA -0.164 nan 4.420 nan 0.000 0.218 22 P C 1.419 178.728 177.300 0.014 0.000 1.149 22 P CA 1.595 64.724 63.100 0.048 0.000 0.817 22 P CB -0.314 31.386 31.700 0.000 0.000 0.785 23 H N 0.588 119.642 119.070 -0.027 0.000 2.421 23 H HA -0.009 4.547 4.556 -0.000 0.000 0.298 23 H C 1.745 177.044 175.328 -0.047 0.000 1.087 23 H CA 1.593 57.585 56.048 -0.094 0.000 1.330 23 H CB -0.075 29.589 29.762 -0.163 0.000 1.388 23 H HN 0.010 nan 8.280 nan 0.000 0.526 24 A N 0.567 123.394 122.820 0.012 0.000 1.898 24 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 24 A C 2.795 180.338 177.584 -0.069 0.000 1.181 24 A CA 1.289 53.310 52.037 -0.026 0.000 0.620 24 A CB -1.269 17.758 19.000 0.045 0.000 0.819 24 A HN 0.545 nan 8.150 nan 0.000 0.442 25 G N -0.220 108.561 108.800 -0.031 0.000 2.476 25 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.218 25 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.218 25 G C 1.673 176.550 174.900 -0.038 0.000 1.164 25 G CA 1.498 46.592 45.100 -0.011 0.000 0.768 25 G HN 0.524 nan 8.290 nan 0.000 0.560 26 M N 0.417 119.963 119.600 -0.091 0.000 2.073 26 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 26 M C 2.569 178.792 176.300 -0.127 0.000 1.070 26 M CA 1.956 57.185 55.300 -0.117 0.000 1.103 26 M CB -0.285 32.189 32.600 -0.209 0.000 1.321 26 M HN 0.122 nan 8.290 nan 0.000 0.405 27 V N 1.084 120.881 119.914 -0.196 0.000 2.332 27 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 27 V C 2.483 178.542 176.094 -0.058 0.000 1.055 27 V CA 1.418 63.639 62.300 -0.132 0.000 1.038 27 V CB -1.031 30.709 31.823 -0.138 0.000 0.651 27 V HN 0.455 nan 8.190 nan 0.000 0.450 28 L N 0.566 121.759 121.223 -0.050 0.000 2.013 28 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 28 L C 2.630 179.487 176.870 -0.021 0.000 1.073 28 L CA 2.452 57.276 54.840 -0.027 0.000 0.753 28 L CB -1.531 40.515 42.059 -0.021 0.000 0.890 28 L HN 0.328 nan 8.230 nan 0.000 0.432 29 A N -0.935 121.876 122.820 -0.015 0.000 1.898 29 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 29 A C 1.947 179.527 177.584 -0.006 0.000 1.181 29 A CA 1.685 53.722 52.037 -0.000 0.000 0.620 29 A CB -0.641 18.367 19.000 0.014 0.000 0.819 29 A HN 0.442 nan 8.150 nan 0.000 0.442 30 D N -0.448 119.942 120.400 -0.016 0.000 2.221 30 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 30 D C 1.009 177.307 176.300 -0.002 0.000 0.982 30 D CA 0.908 54.904 54.000 -0.008 0.000 0.857 30 D CB -0.151 40.639 40.800 -0.016 0.000 0.934 30 D HN 0.299 nan 8.370 nan 0.000 0.475 31 L N -0.962 120.252 121.223 -0.015 0.000 2.653 31 L HA 0.307 4.647 4.340 -0.000 0.000 0.231 31 L C 1.685 178.508 176.870 -0.079 0.000 1.153 31 L CA 0.378 55.190 54.840 -0.047 0.000 0.933 31 L CB 0.178 42.208 42.059 -0.048 0.000 1.175 31 L HN 0.171 nan 8.230 nan 0.000 0.473 32 G N -1.485 107.288 108.800 -0.045 0.000 2.232 32 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.226 32 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.226 32 G C 0.663 175.547 174.900 -0.027 0.000 0.996 32 G CA -0.027 45.048 45.100 -0.041 0.000 0.626 32 G HN 0.620 nan 8.290 nan 0.000 0.509 33 A N 0.343 123.146 122.820 -0.028 0.000 2.466 33 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 33 A C 0.325 177.923 177.584 0.023 0.000 1.074 33 A CA 0.788 52.814 52.037 -0.019 0.000 0.774 33 A CB 0.279 19.263 19.000 -0.027 0.000 1.015 33 A HN 0.374 nan 8.150 nan 0.000 0.498 34 D N 2.001 122.430 120.400 0.049 0.000 2.479 34 D HA 0.366 5.006 4.640 -0.000 0.000 0.218 34 D C -0.781 175.647 176.300 0.214 0.000 1.131 34 D CA 0.031 54.127 54.000 0.161 0.000 0.916 34 D CB 0.444 41.409 40.800 0.275 0.000 1.022 34 D HN 0.125 nan 8.370 nan 0.000 0.515 35 V N 3.463 123.467 119.914 0.150 0.000 2.439 35 V HA 0.373 4.493 4.120 -0.000 0.000 0.282 35 V C 0.373 176.554 176.094 0.144 0.000 1.039 35 V CA -0.716 61.668 62.300 0.139 0.000 0.913 35 V CB 1.902 33.768 31.823 0.071 0.000 0.983 35 V HN 0.260 nan 8.190 nan 0.000 0.460 36 V N 5.517 125.531 119.914 0.166 0.000 2.482 36 V HA 0.454 4.574 4.120 -0.000 0.000 0.295 36 V C 0.054 176.168 176.094 0.033 0.000 1.026 36 V CA -0.832 61.509 62.300 0.068 0.000 0.856 36 V CB 1.834 33.662 31.823 0.007 0.000 1.001 36 V HN 0.765 nan 8.190 nan 0.000 0.424 37 R N 2.707 123.190 120.500 -0.028 0.000 2.490 37 R HA 0.574 4.914 4.340 -0.000 0.000 0.280 37 R C -0.937 175.338 176.300 -0.041 0.000 1.077 37 R CA -0.242 55.828 56.100 -0.050 0.000 1.065 37 R CB 1.768 31.982 30.300 -0.144 0.000 1.003 37 R HN 0.474 nan 8.270 nan 0.000 0.470 38 V N 5.054 124.962 119.914 -0.010 0.000 2.409 38 V HA 0.445 4.565 4.120 -0.000 0.000 0.290 38 V C -0.738 175.384 176.094 0.046 0.000 1.017 38 V CA -0.884 61.425 62.300 0.014 0.000 0.841 38 V CB 1.448 33.296 31.823 0.042 0.000 1.003 38 V HN 0.788 nan 8.190 nan 0.000 0.426 39 R N 3.236 123.756 120.500 0.032 0.000 2.680 39 R HA 0.615 4.955 4.340 -0.000 0.000 0.269 39 R C -0.522 175.802 176.300 0.039 0.000 1.026 39 R CA -1.079 55.057 56.100 0.059 0.000 0.889 39 R CB 0.785 31.111 30.300 0.042 0.000 1.241 39 R HN 0.637 nan 8.270 nan 0.000 0.463 40 R N 1.882 122.414 120.500 0.053 0.000 2.756 40 R HA 0.126 4.466 4.340 -0.000 0.000 0.264 40 R C -1.646 174.666 176.300 0.020 0.000 1.026 40 R CA -0.817 55.302 56.100 0.032 0.000 1.121 40 R CB -0.088 30.233 30.300 0.035 0.000 0.999 40 R HN 0.587 nan 8.270 nan 0.000 0.449 41 P HA -0.075 nan 4.420 nan 0.000 0.217 41 P C 1.142 178.446 177.300 0.007 0.000 1.151 41 P CA 1.517 64.618 63.100 0.003 0.000 0.828 41 P CB -0.218 31.481 31.700 -0.002 0.000 0.788 42 G N 0.402 109.209 108.800 0.012 0.000 3.094 42 G HA2 0.105 4.065 3.960 -0.000 0.000 0.208 42 G HA3 0.105 4.065 3.960 -0.000 0.000 0.208 42 G C 0.894 175.807 174.900 0.021 0.000 1.189 42 G CA 0.047 45.156 45.100 0.014 0.000 0.856 42 G HN 0.436 nan 8.290 nan 0.000 0.510 43 G N -0.055 108.760 108.800 0.024 0.000 2.187 43 G HA2 0.184 4.144 3.960 -0.000 0.000 0.239 43 G HA3 0.184 4.144 3.960 -0.000 0.000 0.239 43 G C 0.274 175.193 174.900 0.032 0.000 1.200 43 G CA -0.318 44.802 45.100 0.034 0.000 0.888 43 G HN 0.207 nan 8.290 nan 0.000 0.482 44 L N 2.687 123.934 121.223 0.039 0.000 2.984 44 L HA 0.199 4.539 4.340 -0.000 0.000 0.246 44 L C 1.705 178.599 176.870 0.041 0.000 1.268 44 L CA -0.180 54.681 54.840 0.035 0.000 1.054 44 L CB -0.372 41.708 42.059 0.035 0.000 1.393 44 L HN 0.699 nan 8.230 nan 0.000 0.532 45 T N -1.786 112.796 114.554 0.047 0.000 2.937 45 T HA 0.287 4.637 4.350 -0.000 0.000 0.316 45 T C 0.122 174.849 174.700 0.045 0.000 1.079 45 T CA -0.290 61.843 62.100 0.056 0.000 1.131 45 T CB 1.192 70.104 68.868 0.074 0.000 1.000 45 T HN 0.084 nan 8.240 nan 0.000 0.549 46 M N 4.153 123.779 119.600 0.043 0.000 2.213 46 M HA 0.422 4.902 4.480 -0.000 0.000 0.286 46 M C -2.629 173.685 176.300 0.024 0.000 1.008 46 M CA -2.231 53.086 55.300 0.028 0.000 0.937 46 M CB 1.674 34.286 32.600 0.020 0.000 1.600 46 M HN 0.791 nan 8.290 nan 0.000 0.450 47 P HA 0.321 nan 4.420 nan 0.000 0.302 47 P C -0.555 176.765 177.300 0.034 0.000 1.307 47 P CA -0.398 62.713 63.100 0.018 0.000 0.754 47 P CB 0.477 32.180 31.700 0.005 0.000 1.298 48 S N -0.490 115.225 115.700 0.026 0.000 2.546 48 S HA -0.039 4.431 4.470 -0.000 0.000 0.290 48 S C 1.372 176.002 174.600 0.049 0.000 1.290 48 S CA -0.149 58.068 58.200 0.029 0.000 1.069 48 S CB -0.335 62.874 63.200 0.014 0.000 0.846 48 S HN 0.330 nan 8.310 nan 0.000 0.495 49 E N 3.376 123.614 120.200 0.064 0.000 2.114 49 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 49 E C 1.132 177.781 176.600 0.081 0.000 1.008 49 E CA 1.952 58.420 56.400 0.113 0.000 0.810 49 E CB -0.453 29.254 29.700 0.011 0.000 0.739 49 E HN 0.980 nan 8.360 nan 0.000 0.456 50 D N -0.117 120.299 120.400 0.027 0.000 2.392 50 D HA -0.112 4.528 4.640 -0.000 0.000 0.228 50 D C 1.355 177.661 176.300 0.010 0.000 1.003 50 D CA 0.559 54.564 54.000 0.008 0.000 0.917 50 D CB 0.102 40.894 40.800 -0.012 0.000 0.890 50 D HN -0.082 nan 8.370 nan 0.000 0.532 51 R N -0.350 120.165 120.500 0.025 0.000 2.572 51 R HA 0.224 4.564 4.340 -0.000 0.000 0.370 51 R C -0.871 175.437 176.300 0.013 0.000 1.005 51 R CA -0.394 55.714 56.100 0.012 0.000 1.146 51 R CB 0.285 30.587 30.300 0.005 0.000 1.390 51 R HN 0.043 nan 8.270 nan 0.000 0.553 52 D N 0.533 120.956 120.400 0.037 0.000 2.454 52 D HA 0.107 4.747 4.640 -0.000 0.000 0.225 52 D C 1.058 177.343 176.300 -0.025 0.000 1.081 52 D CA -0.214 53.787 54.000 0.002 0.000 0.864 52 D CB 0.810 41.623 40.800 0.021 0.000 1.040 52 D HN 0.052 nan 8.370 nan 0.000 0.517 53 L N 3.029 124.227 121.223 -0.042 0.000 2.357 53 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 53 L C 1.989 178.814 176.870 -0.075 0.000 1.123 53 L CA 0.848 55.663 54.840 -0.041 0.000 0.782 53 L CB -0.103 41.926 42.059 -0.050 0.000 0.910 53 L HN 0.491 nan 8.230 nan 0.000 0.442 54 L N -1.352 119.775 121.223 -0.160 0.000 2.599 54 L HA -0.061 4.279 4.340 -0.000 0.000 0.230 54 L C 1.484 178.216 176.870 -0.231 0.000 1.141 54 L CA 0.138 54.839 54.840 -0.232 0.000 0.877 54 L CB -0.390 41.487 42.059 -0.304 0.000 1.009 54 L HN 0.354 nan 8.230 nan 0.000 0.447 55 H N -0.095 118.962 119.070 -0.021 0.000 2.893 55 H HA 0.157 4.713 4.556 -0.000 0.000 0.270 55 H C 0.505 175.824 175.328 -0.016 0.000 1.095 55 H CA -0.367 55.670 56.048 -0.018 0.000 1.186 55 H CB 0.361 30.115 29.762 -0.014 0.000 1.562 55 H HN 0.327 nan 8.280 nan 0.000 0.536 56 R N 0.531 121.085 120.500 0.089 0.000 2.583 56 R HA 0.185 4.525 4.340 -0.000 0.000 0.274 56 R C 0.959 177.289 176.300 0.051 0.000 0.998 56 R CA 1.015 57.152 56.100 0.062 0.000 1.081 56 R CB 0.098 30.432 30.300 0.057 0.000 0.940 56 R HN 0.204 nan 8.270 nan 0.000 0.413 57 G N 1.565 110.393 108.800 0.045 0.000 2.184 57 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 57 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 57 G C -0.198 174.723 174.900 0.034 0.000 0.975 57 G CA 0.827 45.950 45.100 0.038 0.000 0.642 57 G HN 0.639 nan 8.290 nan 0.000 0.536 58 K N -0.441 119.981 120.400 0.035 0.000 2.240 58 K HA 0.803 5.123 4.320 -0.000 0.000 0.237 58 K C 0.478 177.072 176.600 -0.009 0.000 1.027 58 K CA -0.762 55.541 56.287 0.026 0.000 0.937 58 K CB 0.899 33.424 32.500 0.042 0.000 1.171 58 K HN 0.149 nan 8.250 nan 0.000 0.479 59 R N 1.101 121.584 120.500 -0.029 0.000 2.532 59 R HA 0.384 4.724 4.340 -0.000 0.000 0.297 59 R C -0.739 175.507 176.300 -0.091 0.000 0.984 59 R CA -0.812 55.251 56.100 -0.062 0.000 0.884 59 R CB 1.025 31.282 30.300 -0.071 0.000 1.182 59 R HN 0.400 nan 8.270 nan 0.000 0.442 60 I N 2.918 123.424 120.570 -0.107 0.000 2.662 60 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 60 I C 0.219 176.279 176.117 -0.095 0.000 1.046 60 I CA -0.587 60.642 61.300 -0.119 0.000 1.361 60 I CB 1.498 39.420 38.000 -0.129 0.000 1.429 60 I HN 0.277 nan 8.210 nan 0.000 0.558 61 V N 4.408 124.273 119.914 -0.082 0.000 2.655 61 V HA 0.199 4.319 4.120 -0.000 0.000 0.301 61 V C -0.649 175.416 176.094 -0.047 0.000 1.082 61 V CA -1.040 61.217 62.300 -0.072 0.000 0.899 61 V CB 2.153 33.925 31.823 -0.086 0.000 1.014 61 V HN 0.626 nan 8.190 nan 0.000 0.429 62 D N 4.383 124.759 120.400 -0.040 0.000 2.425 62 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 62 D C -0.327 175.963 176.300 -0.017 0.000 1.147 62 D CA 0.198 54.184 54.000 -0.024 0.000 0.879 62 D CB 2.087 42.873 40.800 -0.023 0.000 1.179 62 D HN 0.338 nan 8.370 nan 0.000 0.456 63 L N 2.967 124.188 121.223 -0.002 0.000 2.868 63 L HA 0.045 4.385 4.340 -0.000 0.000 0.235 63 L C -0.877 176.003 176.870 0.017 0.000 0.993 63 L CA -0.455 54.388 54.840 0.004 0.000 1.070 63 L CB 0.874 42.935 42.059 0.004 0.000 1.371 63 L HN 0.260 nan 8.230 nan 0.000 0.554 64 D N 2.289 122.696 120.400 0.011 0.000 2.455 64 D HA 0.313 4.953 4.640 -0.000 0.000 0.241 64 D C -0.417 175.887 176.300 0.006 0.000 1.138 64 D CA 0.334 54.341 54.000 0.010 0.000 0.877 64 D CB 1.442 42.244 40.800 0.004 0.000 1.187 64 D HN 0.271 nan 8.370 nan 0.000 0.451 70 Q N 0.990 120.797 119.800 0.012 0.000 2.373 70 Q HA 0.128 4.468 4.340 -0.000 0.000 0.206 70 Q C 0.874 176.889 176.000 0.026 0.000 0.942 70 Q CA 1.119 56.934 55.803 0.020 0.000 0.953 70 Q CB -0.227 28.524 28.738 0.021 0.000 1.022 70 Q HN 0.437 nan 8.270 nan 0.000 0.502 71 A N 0.712 123.544 122.820 0.020 0.000 2.272 71 A HA -0.067 4.253 4.320 -0.000 0.000 0.213 71 A C 1.863 179.464 177.584 0.028 0.000 1.183 71 A CA 1.004 53.053 52.037 0.021 0.000 0.719 71 A CB -0.719 18.288 19.000 0.012 0.000 0.771 71 A HN 0.536 nan 8.150 nan 0.000 0.484 72 M N -1.077 118.545 119.600 0.037 0.000 2.447 72 M HA 0.120 4.600 4.480 -0.000 0.000 0.264 72 M C 1.345 177.684 176.300 0.064 0.000 1.095 72 M CA 0.827 56.156 55.300 0.049 0.000 1.125 72 M CB -0.154 32.478 32.600 0.055 0.000 1.389 72 M HN 0.425 nan 8.290 nan 0.000 0.459 73 L N 0.318 121.578 121.223 0.061 0.000 2.187 73 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 73 L C 1.882 178.792 176.870 0.067 0.000 1.100 73 L CA 1.381 56.263 54.840 0.069 0.000 0.765 73 L CB -0.680 41.415 42.059 0.059 0.000 0.904 73 L HN 0.377 nan 8.230 nan 0.000 0.437 74 E N -0.134 120.100 120.200 0.058 0.000 2.347 74 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 74 E C 2.178 178.825 176.600 0.079 0.000 1.008 74 E CA 0.644 57.078 56.400 0.057 0.000 0.852 74 E CB 0.039 29.764 29.700 0.041 0.000 0.783 74 E HN 0.511 nan 8.360 nan 0.000 0.505 75 L N 0.455 121.733 121.223 0.091 0.000 2.145 75 L HA 0.043 4.383 4.340 -0.000 0.000 0.201 75 L C 2.418 179.404 176.870 0.193 0.000 1.075 75 L CA 0.775 55.700 54.840 0.141 0.000 0.773 75 L CB -0.192 41.934 42.059 0.111 0.000 0.936 75 L HN 0.108 nan 8.230 nan 0.000 0.451 76 A N 0.279 123.181 122.820 0.137 0.000 1.892 76 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 76 A C 2.388 180.021 177.584 0.082 0.000 1.188 76 A CA 1.933 54.034 52.037 0.107 0.000 0.631 76 A CB -1.096 17.956 19.000 0.087 0.000 0.822 76 A HN 0.547 nan 8.150 nan 0.000 0.447 77 A N -0.525 122.343 122.820 0.081 0.000 2.093 77 A HA -0.213 4.107 4.320 -0.000 0.000 0.222 77 A C 1.970 179.585 177.584 0.053 0.000 1.162 77 A CA 2.011 54.084 52.037 0.059 0.000 0.655 77 A CB -0.416 18.618 19.000 0.058 0.000 0.805 77 A HN 0.654 nan 8.150 nan 0.000 0.461 78 K N -1.138 119.319 120.400 0.095 0.000 2.354 78 K HA 0.402 4.722 4.320 -0.000 0.000 0.194 78 K C 0.680 177.253 176.600 -0.046 0.000 1.038 78 K CA 0.386 56.733 56.287 0.099 0.000 1.052 78 K CB 0.306 32.959 32.500 0.254 0.000 0.861 78 K HN 0.394 nan 8.250 nan 0.000 0.535 79 A N 1.264 124.034 122.820 -0.084 0.000 2.279 79 A HA 0.196 4.516 4.320 -0.000 0.000 0.303 79 A C 0.028 177.454 177.584 -0.263 0.000 1.108 79 A CA -0.564 51.244 52.037 -0.380 0.000 0.830 79 A CB 0.584 19.425 19.000 -0.265 0.000 1.106 79 A HN -0.010 nan 8.150 nan 0.000 0.493 80 D N -0.604 119.599 120.400 -0.328 0.000 2.262 80 D HA 0.121 4.761 4.640 -0.000 0.000 0.212 80 D C 0.208 176.428 176.300 -0.133 0.000 0.964 80 D CA 1.423 55.304 54.000 -0.198 0.000 0.875 80 D CB 0.268 40.945 40.800 -0.206 0.000 0.996 80 D HN 0.270 nan 8.370 nan 0.000 0.497 81 V N 1.129 120.952 119.914 -0.151 0.000 2.823 81 V HA 0.443 4.563 4.120 -0.000 0.000 0.312 81 V C -0.812 175.215 176.094 -0.112 0.000 1.072 81 V CA -1.046 61.192 62.300 -0.104 0.000 0.937 81 V CB 2.802 34.574 31.823 -0.086 0.000 1.013 81 V HN -0.090 nan 8.190 nan 0.000 0.430 82 L N 4.176 125.305 121.223 -0.156 0.000 2.377 82 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 82 L C -0.888 175.799 176.870 -0.304 0.000 0.991 82 L CA -0.391 54.305 54.840 -0.240 0.000 0.851 82 L CB 1.366 43.191 42.059 -0.390 0.000 1.218 82 L HN 0.674 nan 8.230 nan 0.000 0.420 83 L N 4.766 125.874 121.223 -0.192 0.000 2.358 83 L HA 0.364 4.704 4.340 -0.000 0.000 0.274 83 L C -0.299 176.458 176.870 -0.189 0.000 1.136 83 L CA -0.080 54.663 54.840 -0.160 0.000 0.970 83 L CB -0.030 41.977 42.059 -0.087 0.000 1.314 83 L HN 0.668 nan 8.230 nan 0.000 0.427 84 D N 2.430 122.689 120.400 -0.236 0.000 2.417 84 D HA 0.054 4.694 4.640 -0.000 0.000 0.250 84 D C 0.214 176.448 176.300 -0.109 0.000 1.166 84 D CA 0.055 53.974 54.000 -0.135 0.000 0.881 84 D CB 0.772 41.580 40.800 0.014 0.000 1.164 84 D HN 0.601 nan 8.370 nan 0.000 0.467 85 C N 4.109 123.248 119.300 -0.267 0.000 3.386 85 C HA 0.374 4.834 4.460 -0.000 0.000 0.279 85 C C 0.103 174.937 174.990 -0.260 0.000 1.508 85 C CA -0.746 58.120 59.018 -0.254 0.000 1.801 85 C CB -1.776 25.790 27.740 -0.290 0.000 2.798 85 C HN 0.459 nan 8.230 nan 0.000 0.605 86 F N 1.197 121.175 119.950 0.047 0.000 2.375 86 F HA 0.464 4.991 4.527 -0.000 0.000 0.317 86 F C 1.239 177.072 175.800 0.055 0.000 1.124 86 F CA -0.877 57.153 58.000 0.051 0.000 1.050 86 F CB 0.478 39.513 39.000 0.058 0.000 1.314 86 F HN -0.136 nan 8.300 nan 0.000 0.511 87 R N 0.692 121.361 120.500 0.282 0.000 2.861 87 R HA 0.109 4.449 4.340 -0.000 0.000 0.268 87 R C -2.456 173.945 176.300 0.168 0.000 1.027 87 R CA -1.209 54.997 56.100 0.177 0.000 1.163 87 R CB -0.545 29.843 30.300 0.146 0.000 1.060 87 R HN 0.186 nan 8.270 nan 0.000 0.483 88 P HA 0.054 nan 4.420 nan 0.000 0.271 88 P C 0.687 178.042 177.300 0.093 0.000 1.216 88 P CA 0.796 63.964 63.100 0.113 0.000 0.776 88 P CB 0.697 32.452 31.700 0.092 0.000 0.881 89 G N 2.262 111.112 108.800 0.083 0.000 3.206 89 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 89 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 89 G C 1.448 176.379 174.900 0.052 0.000 1.350 89 G CA 0.703 45.835 45.100 0.054 0.000 0.836 89 G HN 0.583 nan 8.290 nan 0.000 0.548 90 T N -1.025 113.560 114.554 0.053 0.000 2.721 90 T HA -0.282 4.068 4.350 -0.000 0.000 0.268 90 T C 2.411 177.097 174.700 -0.023 0.000 1.038 90 T CA 2.639 64.736 62.100 -0.005 0.000 1.145 90 T CB -1.169 67.680 68.868 -0.031 0.000 0.858 90 T HN 1.260 nan 8.240 nan 0.000 0.459 91 C N 2.765 122.120 119.300 0.092 0.000 2.429 91 C HA -0.011 4.449 4.460 -0.000 0.000 0.277 91 C C 2.828 177.893 174.990 0.126 0.000 1.262 91 C CA 1.187 60.303 59.018 0.163 0.000 1.733 91 C CB -1.134 26.830 27.740 0.374 0.000 2.010 91 C HN 0.771 nan 8.230 nan 0.000 0.483 92 E N -0.129 120.128 120.200 0.094 0.000 2.489 92 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 92 E C 1.937 178.550 176.600 0.022 0.000 1.057 92 E CA 0.126 56.557 56.400 0.051 0.000 0.866 92 E CB -0.485 29.222 29.700 0.011 0.000 0.916 92 E HN 0.619 nan 8.360 nan 0.000 0.500 93 R N 0.518 121.024 120.500 0.010 0.000 2.193 93 R HA 0.168 4.508 4.340 -0.000 0.000 0.213 93 R C 0.935 177.227 176.300 -0.013 0.000 1.055 93 R CA 0.213 56.308 56.100 -0.007 0.000 0.995 93 R CB 0.194 30.483 30.300 -0.019 0.000 0.893 93 R HN 0.117 nan 8.270 nan 0.000 0.459 94 L N -2.623 118.592 121.223 -0.014 0.000 2.492 94 L HA 0.334 4.674 4.340 -0.000 0.000 0.263 94 L C 1.872 178.751 176.870 0.014 0.000 1.062 94 L CA -0.362 54.470 54.840 -0.014 0.000 0.817 94 L CB 0.421 42.458 42.059 -0.038 0.000 1.441 94 L HN 0.047 nan 8.230 nan 0.000 0.493 95 G N 0.686 109.497 108.800 0.019 0.000 2.476 95 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 95 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 95 G C 0.771 175.706 174.900 0.058 0.000 1.164 95 G CA 0.630 45.750 45.100 0.033 0.000 0.768 95 G HN 0.546 nan 8.290 nan 0.000 0.560 96 I N -1.137 119.482 120.570 0.083 0.000 2.993 96 I HA 0.552 4.722 4.170 -0.000 0.000 0.286 96 I C 0.512 176.732 176.117 0.171 0.000 1.215 96 I CA 0.029 61.415 61.300 0.144 0.000 1.393 96 I CB 0.459 38.562 38.000 0.171 0.000 1.371 96 I HN 0.359 nan 8.210 nan 0.000 0.602 97 G N 2.877 111.830 108.800 0.255 0.000 2.358 97 G HA2 0.277 4.237 3.960 -0.000 0.000 0.301 97 G HA3 0.277 4.237 3.960 -0.000 0.000 0.301 97 G C -2.766 172.099 174.900 -0.058 0.000 1.539 97 G CA -0.658 44.512 45.100 0.117 0.000 0.893 97 G HN 0.354 nan 8.290 nan 0.000 0.636 98 P HA -0.093 nan 4.420 nan 0.000 0.216 98 P C 1.196 178.380 177.300 -0.193 0.000 1.153 98 P CA 1.636 64.347 63.100 -0.649 0.000 0.858 98 P CB 0.252 31.525 31.700 -0.712 0.000 0.789 99 D N -0.525 119.792 120.400 -0.137 0.000 2.081 99 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 99 D C 1.596 177.890 176.300 -0.011 0.000 0.986 99 D CA 1.206 55.170 54.000 -0.059 0.000 0.837 99 D CB -0.977 39.794 40.800 -0.049 0.000 0.985 99 D HN 0.189 nan 8.370 nan 0.000 0.448 100 D N 0.710 121.115 120.400 0.009 0.000 2.133 100 D HA -0.159 4.481 4.640 -0.000 0.000 0.192 100 D C 2.330 178.666 176.300 0.061 0.000 1.001 100 D CA 0.844 54.866 54.000 0.037 0.000 0.844 100 D CB -0.637 40.193 40.800 0.049 0.000 0.944 100 D HN 0.236 nan 8.370 nan 0.000 0.447 101 C N 1.294 120.655 119.300 0.101 0.000 2.425 101 C HA -0.028 4.432 4.460 -0.000 0.000 0.277 101 C C 3.037 178.082 174.990 0.091 0.000 1.280 101 C CA 0.510 59.607 59.018 0.132 0.000 1.744 101 C CB -1.054 26.838 27.740 0.253 0.000 1.989 101 C HN 0.395 nan 8.230 nan 0.000 0.491 102 A N 0.871 123.730 122.820 0.064 0.000 1.892 102 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 102 A C 2.249 179.851 177.584 0.031 0.000 1.188 102 A CA 2.543 54.604 52.037 0.040 0.000 0.631 102 A CB -0.887 18.120 19.000 0.012 0.000 0.822 102 A HN 0.585 nan 8.150 nan 0.000 0.447 103 S N -0.437 115.279 115.700 0.028 0.000 2.353 103 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 103 S C 2.026 176.643 174.600 0.027 0.000 1.035 103 S CA 1.889 60.102 58.200 0.023 0.000 1.025 103 S CB -0.989 62.223 63.200 0.021 0.000 0.902 103 S HN 1.003 nan 8.310 nan 0.000 0.440 104 V N -0.132 119.804 119.914 0.037 0.000 2.667 104 V HA 0.149 4.269 4.120 -0.000 0.000 0.252 104 V C 0.577 176.693 176.094 0.036 0.000 1.065 104 V CA 1.153 63.476 62.300 0.038 0.000 1.083 104 V CB -0.732 31.120 31.823 0.048 0.000 0.692 104 V HN 0.523 nan 8.190 nan 0.000 0.468 105 N N 0.514 119.238 118.700 0.038 0.000 2.812 105 N HA 0.280 5.020 4.740 -0.000 0.000 0.262 105 N C -2.639 172.890 175.510 0.031 0.000 1.241 105 N CA -0.612 52.456 53.050 0.030 0.000 0.854 105 N CB 2.181 40.685 38.487 0.029 0.000 1.506 105 N HN 0.035 nan 8.380 nan 0.000 0.576 106 P HA 0.016 nan 4.420 nan 0.000 0.245 106 P C 0.529 177.837 177.300 0.013 0.000 1.212 106 P CA 0.293 63.403 63.100 0.018 0.000 0.774 106 P CB 0.332 32.038 31.700 0.010 0.000 0.999 107 R N -0.654 119.849 120.500 0.005 0.000 2.297 107 R HA 0.164 4.504 4.340 -0.000 0.000 0.197 107 R C 0.874 177.170 176.300 -0.006 0.000 0.943 107 R CA -0.478 55.617 56.100 -0.008 0.000 1.038 107 R CB -0.779 29.506 30.300 -0.024 0.000 0.957 107 R HN 0.245 nan 8.270 nan 0.000 0.484 108 L N 1.964 123.196 121.223 0.015 0.000 2.456 108 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 108 L C -0.129 176.774 176.870 0.055 0.000 1.189 108 L CA 0.280 55.137 54.840 0.028 0.000 0.846 108 L CB 0.482 42.580 42.059 0.065 0.000 1.111 108 L HN -0.085 nan 8.230 nan 0.000 0.475 109 I N 6.214 126.805 120.570 0.035 0.000 2.337 109 I HA 0.117 4.287 4.170 -0.000 0.000 0.285 109 I C -0.401 175.764 176.117 0.081 0.000 1.041 109 I CA -0.129 61.205 61.300 0.057 0.000 1.199 109 I CB 0.120 38.130 38.000 0.016 0.000 1.370 109 I HN 0.536 nan 8.210 nan 0.000 0.470 110 F N 5.896 125.851 119.950 0.008 0.000 2.515 110 F HA 0.515 5.042 4.527 -0.000 0.000 0.353 110 F C 0.862 176.673 175.800 0.018 0.000 1.213 110 F CA -0.470 57.541 58.000 0.018 0.000 1.194 110 F CB 0.446 39.460 39.000 0.022 0.000 1.488 110 F HN 0.568 nan 8.300 nan 0.000 0.619 111 A N 6.284 129.137 122.820 0.054 0.000 2.340 111 A HA 0.727 5.047 4.320 -0.000 0.000 0.268 111 A C -0.299 177.335 177.584 0.082 0.000 1.100 111 A CA -0.590 51.491 52.037 0.072 0.000 0.803 111 A CB 0.552 19.555 19.000 0.005 0.000 1.043 111 A HN 0.799 nan 8.150 nan 0.000 0.488 112 R N 1.849 122.418 120.500 0.115 0.000 2.539 112 R HA 0.370 4.710 4.340 -0.000 0.000 0.295 112 R C -1.846 174.485 176.300 0.051 0.000 1.138 112 R CA -0.453 55.715 56.100 0.112 0.000 0.936 112 R CB 1.129 31.553 30.300 0.207 0.000 1.182 112 R HN 0.600 nan 8.270 nan 0.000 0.459 113 I N 1.801 122.378 120.570 0.013 0.000 2.325 113 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 113 I C 0.152 176.239 176.117 -0.050 0.000 1.019 113 I CA 0.009 61.298 61.300 -0.017 0.000 1.302 113 I CB 1.623 39.614 38.000 -0.015 0.000 1.401 113 I HN 0.429 nan 8.210 nan 0.000 0.485 114 T N 3.137 117.630 114.554 -0.102 0.000 2.900 114 T HA 0.428 4.778 4.350 -0.000 0.000 0.303 114 T C 1.010 175.453 174.700 -0.429 0.000 1.142 114 T CA -0.464 61.528 62.100 -0.179 0.000 1.007 114 T CB 1.858 70.674 68.868 -0.086 0.000 1.156 114 T HN 0.721 nan 8.240 nan 0.000 0.490 115 G N -0.355 107.958 108.800 -0.812 0.000 2.394 115 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.215 115 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.215 115 G C 0.695 174.786 174.900 -1.348 0.000 1.165 115 G CA 0.149 44.025 45.100 -2.041 0.000 0.784 115 G HN 0.838 nan 8.290 nan 0.000 0.535 116 W N 0.417 121.466 121.300 -0.419 0.000 3.211 116 W HA 0.457 5.117 4.660 -0.000 0.000 0.292 116 W C 1.387 177.837 176.519 -0.114 0.000 1.268 116 W CA -0.106 57.132 57.345 -0.180 0.000 1.702 116 W CB 0.547 29.971 29.460 -0.060 0.000 1.092 116 W HN 0.504 nan 8.180 nan 0.000 0.643 117 G N 0.908 109.741 108.800 0.054 0.000 2.728 117 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.294 117 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.294 117 G C 0.412 175.356 174.900 0.073 0.000 1.342 117 G CA -0.121 45.006 45.100 0.044 0.000 0.866 117 G HN 0.009 nan 8.290 nan 0.000 0.534 118 Q N 0.156 119.988 119.800 0.054 0.000 2.008 118 Q HA 0.090 4.430 4.340 -0.000 0.000 0.196 118 Q C 1.001 177.028 176.000 0.045 0.000 0.973 118 Q CA 1.735 57.569 55.803 0.052 0.000 0.826 118 Q CB -0.302 28.457 28.738 0.035 0.000 0.894 118 Q HN 0.705 nan 8.270 nan 0.000 0.439 119 D N -0.358 120.061 120.400 0.031 0.000 2.383 119 D HA 0.498 5.138 4.640 -0.000 0.000 0.248 119 D C 0.335 176.647 176.300 0.021 0.000 1.170 119 D CA 0.789 54.800 54.000 0.019 0.000 0.977 119 D CB 0.746 41.551 40.800 0.008 0.000 1.120 119 D HN 0.290 nan 8.370 nan 0.000 0.481 120 G N 0.159 108.960 108.800 0.002 0.000 2.587 120 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 120 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 120 G C -1.978 172.899 174.900 -0.038 0.000 1.236 120 G CA -0.446 44.644 45.100 -0.017 0.000 0.820 120 G HN 0.332 nan 8.290 nan 0.000 0.645 121 P HA -0.036 nan 4.420 nan 0.000 0.215 121 P C 2.180 179.400 177.300 -0.133 0.000 1.157 121 P CA 1.069 64.117 63.100 -0.087 0.000 0.859 121 P CB 0.139 31.781 31.700 -0.096 0.000 0.786 122 L N -0.580 120.499 121.223 -0.240 0.000 2.353 122 L HA -0.094 4.246 4.340 -0.000 0.000 0.220 122 L C 2.725 179.442 176.870 -0.254 0.000 1.133 122 L CA 0.820 55.391 54.840 -0.449 0.000 0.798 122 L CB -1.002 40.469 42.059 -0.981 0.000 0.922 122 L HN -0.051 nan 8.230 nan 0.000 0.445 123 A N 0.641 123.438 122.820 -0.038 0.000 1.940 123 A HA -0.321 3.999 4.320 -0.000 0.000 0.221 123 A C 2.512 180.186 177.584 0.150 0.000 1.190 123 A CA 2.575 54.684 52.037 0.121 0.000 0.647 123 A CB -0.702 18.343 19.000 0.075 0.000 0.821 123 A HN 0.572 nan 8.150 nan 0.000 0.457 124 S N -1.797 113.950 115.700 0.078 0.000 2.436 124 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 124 S C 1.034 175.709 174.600 0.126 0.000 1.014 124 S CA 0.815 59.068 58.200 0.089 0.000 0.950 124 S CB -0.854 62.372 63.200 0.045 0.000 0.784 124 S HN 0.396 nan 8.310 nan 0.000 0.504 125 T N 3.098 117.715 114.554 0.106 0.000 2.932 125 T HA 0.497 4.847 4.350 -0.000 0.000 0.312 125 T C 0.286 175.205 174.700 0.364 0.000 1.071 125 T CA 0.375 62.567 62.100 0.153 0.000 1.128 125 T CB 0.590 69.457 68.868 -0.000 0.000 0.984 125 T HN 0.566 nan 8.240 nan 0.000 0.549 126 A N 1.955 124.947 122.820 0.287 0.000 2.316 126 A HA 0.815 5.135 4.320 -0.000 0.000 0.284 126 A C 0.572 178.352 177.584 0.325 0.000 1.115 126 A CA -0.027 52.167 52.037 0.261 0.000 0.812 126 A CB 0.683 19.776 19.000 0.155 0.000 1.064 126 A HN 1.120 nan 8.150 nan 0.000 0.489 127 G N -0.135 108.763 108.800 0.163 0.000 2.523 127 G HA2 0.544 4.504 3.960 -0.000 0.000 0.291 127 G HA3 0.544 4.504 3.960 -0.000 0.000 0.291 127 G C -1.547 173.035 174.900 -0.529 0.000 1.450 127 G CA -0.663 44.436 45.100 -0.002 0.000 0.790 127 G HN 0.904 nan 8.290 nan 0.000 0.496 128 H N -0.976 117.699 119.070 -0.657 0.000 2.869 128 H HA 0.441 4.997 4.556 -0.000 0.000 0.342 128 H C 1.073 175.733 175.328 -1.113 0.000 1.250 128 H CA -0.065 55.542 56.048 -0.735 0.000 1.217 128 H CB 2.127 31.691 29.762 -0.330 0.000 1.917 128 H HN 0.523 nan 8.280 nan 0.000 0.586 129 D N 0.641 120.750 120.400 -0.486 0.000 2.160 129 D HA -0.230 4.410 4.640 -0.000 0.000 0.189 129 D C 2.027 178.168 176.300 -0.264 0.000 1.003 129 D CA 2.028 55.832 54.000 -0.326 0.000 0.846 129 D CB 0.110 40.800 40.800 -0.183 0.000 0.949 129 D HN 0.519 nan 8.370 nan 0.000 0.446 130 I N 0.613 121.079 120.570 -0.172 0.000 2.248 130 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 130 I C 1.963 178.028 176.117 -0.086 0.000 1.107 130 I CA 1.233 62.482 61.300 -0.085 0.000 1.373 130 I CB -0.156 37.811 38.000 -0.056 0.000 1.055 130 I HN 0.080 nan 8.210 nan 0.000 0.418 131 N N 0.242 118.826 118.700 -0.193 0.000 2.080 131 N HA -0.200 4.540 4.740 -0.000 0.000 0.189 131 N C 1.767 177.315 175.510 0.064 0.000 1.036 131 N CA 1.553 54.567 53.050 -0.059 0.000 0.846 131 N CB -0.639 37.821 38.487 -0.044 0.000 1.015 131 N HN 0.383 nan 8.380 nan 0.000 0.423 132 Y N 1.625 121.840 120.300 -0.141 0.000 2.193 132 Y HA -0.037 4.513 4.550 -0.000 0.000 0.285 132 Y C 2.413 178.318 175.900 0.009 0.000 1.166 132 Y CA 0.295 58.247 58.100 -0.247 0.000 1.181 132 Y CB -1.084 37.111 38.460 -0.441 0.000 0.976 132 Y HN 0.024 nan 8.280 nan 0.000 0.520 133 L N -0.234 121.065 121.223 0.127 0.000 2.201 133 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 133 L C 2.473 179.387 176.870 0.073 0.000 1.105 133 L CA 1.406 56.302 54.840 0.093 0.000 0.775 133 L CB -0.656 41.453 42.059 0.083 0.000 0.913 133 L HN 0.324 nan 8.230 nan 0.000 0.440 134 S N -1.132 114.633 115.700 0.108 0.000 2.423 134 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 134 S C 1.848 176.515 174.600 0.111 0.000 1.014 134 S CA 0.569 58.824 58.200 0.090 0.000 0.965 134 S CB -0.086 63.178 63.200 0.107 0.000 0.785 134 S HN 0.400 nan 8.310 nan 0.000 0.495 135 Q N 1.378 121.299 119.800 0.201 0.000 2.250 135 Q HA 0.044 4.384 4.340 -0.000 0.000 0.200 135 Q C 2.473 178.565 176.000 0.154 0.000 0.941 135 Q CA 1.722 57.640 55.803 0.191 0.000 0.872 135 Q CB -1.067 27.857 28.738 0.311 0.000 0.965 135 Q HN 0.898 nan 8.270 nan 0.000 0.480 136 T N -2.889 111.755 114.554 0.149 0.000 3.023 136 T HA 0.135 4.485 4.350 -0.000 0.000 0.266 136 T C 1.464 176.196 174.700 0.054 0.000 1.093 136 T CA 1.204 63.386 62.100 0.137 0.000 1.129 136 T CB 0.069 69.010 68.868 0.121 0.000 0.899 136 T HN 0.406 nan 8.240 nan 0.000 0.491 137 G N 0.436 109.215 108.800 -0.034 0.000 2.175 137 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.244 137 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.244 137 G C 1.101 175.827 174.900 -0.290 0.000 0.982 137 G CA 0.295 45.307 45.100 -0.146 0.000 0.641 137 G HN 1.067 nan 8.290 nan 0.000 0.527 138 A N -0.357 122.282 122.820 -0.301 0.000 1.970 138 A HA 0.461 4.781 4.320 -0.000 0.000 0.216 138 A C 2.276 179.273 177.584 -0.979 0.000 1.170 138 A CA 2.070 53.785 52.037 -0.537 0.000 0.645 138 A CB -0.194 18.611 19.000 -0.326 0.000 0.816 138 A HN 1.258 nan 8.150 nan 0.000 0.447 139 L N -0.195 120.699 121.223 -0.549 0.000 2.093 139 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 139 L C 2.410 179.076 176.870 -0.341 0.000 1.085 139 L CA 2.001 56.589 54.840 -0.421 0.000 0.755 139 L CB -0.617 41.398 42.059 -0.074 0.000 0.904 139 L HN 0.282 nan 8.230 nan 0.000 0.435 140 A N -0.793 121.864 122.820 -0.271 0.000 2.216 140 A HA 0.195 4.515 4.320 -0.000 0.000 0.214 140 A C 2.038 179.496 177.584 -0.211 0.000 1.160 140 A CA 1.089 53.018 52.037 -0.180 0.000 0.725 140 A CB -0.845 18.070 19.000 -0.140 0.000 0.784 140 A HN 0.527 nan 8.150 nan 0.000 0.472 141 A N -1.350 121.250 122.820 -0.366 0.000 2.430 141 A HA 0.571 4.891 4.320 -0.000 0.000 0.243 141 A C 0.215 177.731 177.584 -0.114 0.000 1.254 141 A CA -0.430 51.435 52.037 -0.287 0.000 0.914 141 A CB -0.068 18.708 19.000 -0.373 0.000 0.998 141 A HN 0.372 nan 8.150 nan 0.000 0.515 142 F N -0.159 119.742 119.950 -0.081 0.000 2.425 142 F HA 0.539 5.066 4.527 -0.000 0.000 0.331 142 F C 1.197 176.928 175.800 -0.115 0.000 1.085 142 F CA -0.081 57.862 58.000 -0.095 0.000 1.028 142 F CB 1.523 40.475 39.000 -0.079 0.000 1.177 142 F HN 0.411 nan 8.300 nan 0.000 0.487 143 G N 1.127 109.939 108.800 0.021 0.000 2.760 143 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 143 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 143 G C -1.419 173.342 174.900 -0.233 0.000 1.359 143 G CA -1.121 43.883 45.100 -0.161 0.000 0.861 143 G HN 0.597 nan 8.290 nan 0.000 0.541 144 Y N 0.501 120.792 120.300 -0.016 0.000 2.379 144 Y HA 0.382 4.932 4.550 -0.000 0.000 0.337 144 Y C 2.019 177.910 175.900 -0.016 0.000 1.238 144 Y CA 0.737 58.819 58.100 -0.030 0.000 1.405 144 Y CB 0.888 39.325 38.460 -0.039 0.000 1.310 144 Y HN 0.929 nan 8.280 nan 0.000 0.569 145 A N 1.465 124.369 122.820 0.140 0.000 1.908 145 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 145 A C 1.850 179.474 177.584 0.066 0.000 1.181 145 A CA 2.128 54.209 52.037 0.073 0.000 0.627 145 A CB -0.700 18.331 19.000 0.052 0.000 0.818 145 A HN 0.921 nan 8.150 nan 0.000 0.445 146 D N -0.062 120.383 120.400 0.076 0.000 2.085 146 D HA -0.086 4.553 4.640 -0.000 0.000 0.199 146 D C 0.558 176.889 176.300 0.052 0.000 0.981 146 D CA 0.378 54.407 54.000 0.048 0.000 0.834 146 D CB -0.624 40.194 40.800 0.029 0.000 0.992 146 D HN 0.196 nan 8.370 nan 0.000 0.457 147 R N 1.900 122.444 120.500 0.074 0.000 2.694 147 R HA 0.302 4.642 4.340 -0.000 0.000 0.268 147 R C -2.053 174.288 176.300 0.068 0.000 1.061 147 R CA -1.440 54.702 56.100 0.069 0.000 1.133 147 R CB -0.808 29.548 30.300 0.094 0.000 1.020 147 R HN 0.150 nan 8.270 nan 0.000 0.475 148 P HA 0.149 nan 4.420 nan 0.000 0.272 148 P C -2.251 175.079 177.300 0.051 0.000 1.240 148 P CA -1.014 62.111 63.100 0.042 0.000 0.791 148 P CB -0.192 31.527 31.700 0.032 0.000 0.978 149 P HA 0.206 nan 4.420 nan 0.000 0.268 149 P C -0.726 176.616 177.300 0.069 0.000 1.205 149 P CA 0.385 63.526 63.100 0.069 0.000 0.771 149 P CB 0.257 31.995 31.700 0.063 0.000 0.858 150 M N 5.348 124.991 119.600 0.072 0.000 2.190 150 M HA 0.406 4.886 4.480 -0.000 0.000 0.312 150 M C -2.509 173.809 176.300 0.030 0.000 0.990 150 M CA -2.458 52.864 55.300 0.037 0.000 0.927 150 M CB 1.909 34.516 32.600 0.011 0.000 1.571 150 M HN 0.162 nan 8.290 nan 0.000 0.427 151 P HA 0.241 nan 4.420 nan 0.000 0.271 151 P C -2.690 174.570 177.300 -0.067 0.000 1.216 151 P CA -0.980 62.134 63.100 0.022 0.000 0.771 151 P CB -0.181 31.531 31.700 0.020 0.000 0.864 152 P HA 0.181 nan 4.420 nan 0.000 0.230 152 P C 0.657 177.918 177.300 -0.064 0.000 1.791 152 P CA -0.021 62.981 63.100 -0.164 0.000 1.020 152 P CB -0.361 31.171 31.700 -0.280 0.000 1.977 153 L N -0.600 120.604 121.223 -0.031 0.000 6.706 153 L HA -0.344 3.996 4.340 -0.000 0.000 0.053 153 L C 0.982 177.825 176.870 -0.045 0.000 1.950 153 L CA 1.710 56.546 54.840 -0.005 0.000 1.620 153 L CB -0.997 41.095 42.059 0.056 0.000 2.781 153 L HN 0.429 nan 8.230 nan 0.000 1.068 154 N N -0.105 118.556 118.700 -0.065 0.000 2.433 154 N HA 0.228 4.968 4.740 -0.000 0.000 0.270 154 N C 0.599 175.945 175.510 -0.273 0.000 1.354 154 N CA -0.140 52.797 53.050 -0.188 0.000 0.889 154 N CB 0.218 38.545 38.487 -0.266 0.000 1.285 154 N HN 0.621 nan 8.380 nan 0.000 0.503 155 L N -0.369 120.814 121.223 -0.067 0.000 2.240 155 L HA 0.040 4.380 4.340 -0.000 0.000 0.211 155 L C 1.937 178.808 176.870 0.002 0.000 1.106 155 L CA 0.589 55.452 54.840 0.039 0.000 0.793 155 L CB -0.131 41.992 42.059 0.106 0.000 0.927 155 L HN -0.010 nan 8.230 nan 0.000 0.446 156 V N 0.289 120.195 119.914 -0.012 0.000 2.239 156 V HA -0.212 3.908 4.120 -0.000 0.000 0.242 156 V C 2.644 178.749 176.094 0.019 0.000 1.038 156 V CA 2.028 64.351 62.300 0.038 0.000 1.002 156 V CB -0.692 31.197 31.823 0.109 0.000 0.641 156 V HN 0.439 nan 8.190 nan 0.000 0.449 157 A N -0.607 122.206 122.820 -0.011 0.000 1.861 157 A HA -0.129 4.191 4.320 -0.000 0.000 0.212 157 A C 2.014 179.550 177.584 -0.079 0.000 1.199 157 A CA 1.413 53.449 52.037 -0.001 0.000 0.613 157 A CB -0.689 18.357 19.000 0.078 0.000 0.846 157 A HN 0.495 nan 8.150 nan 0.000 0.446 158 D N -0.661 119.598 120.400 -0.235 0.000 2.106 158 D HA -0.137 4.503 4.640 -0.000 0.000 0.191 158 D C 1.575 177.653 176.300 -0.370 0.000 0.997 158 D CA 1.623 55.366 54.000 -0.428 0.000 0.834 158 D CB -0.257 40.018 40.800 -0.876 0.000 0.956 158 D HN 0.437 nan 8.370 nan 0.000 0.448 159 F N -0.204 119.711 119.950 -0.058 0.000 2.390 159 F HA 0.283 4.810 4.527 -0.000 0.000 0.281 159 F C 2.596 178.389 175.800 -0.011 0.000 1.016 159 F CA 0.417 58.359 58.000 -0.095 0.000 1.286 159 F CB -1.259 37.566 39.000 -0.292 0.000 1.134 159 F HN -0.067 nan 8.300 nan 0.000 0.597 160 G N -0.209 108.685 108.800 0.156 0.000 2.469 160 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 160 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 160 G C 1.718 176.674 174.900 0.094 0.000 1.150 160 G CA 1.149 46.321 45.100 0.119 0.000 0.763 160 G HN 0.561 nan 8.290 nan 0.000 0.561 161 G N -1.041 107.798 108.800 0.066 0.000 3.596 161 G HA2 0.475 4.435 3.960 -0.000 0.000 0.274 161 G HA3 0.475 4.435 3.960 -0.000 0.000 0.274 161 G C 0.840 175.757 174.900 0.029 0.000 1.007 161 G CA 1.029 46.159 45.100 0.051 0.000 0.825 161 G HN 0.630 nan 8.290 nan 0.000 0.508 162 G N 0.303 109.127 108.800 0.041 0.000 2.478 162 G HA2 0.149 4.108 3.960 -0.000 0.000 0.211 162 G HA3 0.149 4.108 3.960 -0.000 0.000 0.211 162 G C 1.641 176.596 174.900 0.092 0.000 1.726 162 G CA 1.253 46.369 45.100 0.026 0.000 0.725 162 G HN 0.232 nan 8.290 nan 0.000 0.654 163 S N 0.195 116.006 115.700 0.185 0.000 2.380 163 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 163 S C 2.564 177.274 174.600 0.183 0.000 1.050 163 S CA 2.424 60.781 58.200 0.262 0.000 1.100 163 S CB -0.361 63.169 63.200 0.550 0.000 0.984 163 S HN 0.152 nan 8.310 nan 0.000 0.434 164 M N 0.419 120.129 119.600 0.183 0.000 2.202 164 M HA -0.039 4.441 4.480 -0.000 0.000 0.262 164 M C 2.188 178.540 176.300 0.087 0.000 1.063 164 M CA 1.050 56.427 55.300 0.128 0.000 1.097 164 M CB -1.655 31.020 32.600 0.124 0.000 1.382 164 M HN 0.436 nan 8.290 nan 0.000 0.413 165 L N -0.170 121.099 121.223 0.076 0.000 2.005 165 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 165 L C 2.399 179.297 176.870 0.047 0.000 1.072 165 L CA 1.413 56.285 54.840 0.052 0.000 0.744 165 L CB -0.920 41.161 42.059 0.036 0.000 0.895 165 L HN 0.083 nan 8.230 nan 0.000 0.433 166 V N -0.762 119.181 119.914 0.048 0.000 2.626 166 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 166 V C 2.450 178.569 176.094 0.042 0.000 1.067 166 V CA 1.648 63.973 62.300 0.041 0.000 1.081 166 V CB -0.150 31.694 31.823 0.035 0.000 0.686 166 V HN 0.476 nan 8.190 nan 0.000 0.468 167 L N -1.022 120.233 121.223 0.052 0.000 2.056 167 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 167 L C 2.368 179.266 176.870 0.045 0.000 1.078 167 L CA 1.610 56.478 54.840 0.046 0.000 0.749 167 L CB -0.459 41.634 42.059 0.057 0.000 0.901 167 L HN 0.393 nan 8.230 nan 0.000 0.433 168 L N -0.144 121.108 121.223 0.049 0.000 2.005 168 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 168 L C 2.382 179.276 176.870 0.040 0.000 1.072 168 L CA 2.160 57.027 54.840 0.044 0.000 0.744 168 L CB -1.181 40.902 42.059 0.041 0.000 0.895 168 L HN 0.145 nan 8.230 nan 0.000 0.433 169 G N 0.014 108.837 108.800 0.040 0.000 2.491 169 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 169 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 169 G C 1.623 176.549 174.900 0.043 0.000 1.180 169 G CA 1.471 46.596 45.100 0.040 0.000 0.774 169 G HN 0.481 nan 8.290 nan 0.000 0.562 170 I N 0.236 120.828 120.570 0.038 0.000 2.058 170 I HA -0.202 3.968 4.170 -0.000 0.000 0.235 170 I C 2.823 178.962 176.117 0.037 0.000 1.053 170 I CA 1.024 62.343 61.300 0.031 0.000 1.313 170 I CB -0.560 37.450 38.000 0.016 0.000 1.039 170 I HN 0.039 nan 8.210 nan 0.000 0.396 171 V N 0.501 120.439 119.914 0.040 0.000 2.546 171 V HA -0.233 3.887 4.120 -0.000 0.000 0.254 171 V C 2.303 178.445 176.094 0.079 0.000 1.076 171 V CA 1.372 63.703 62.300 0.053 0.000 1.087 171 V CB -0.548 31.308 31.823 0.056 0.000 0.674 171 V HN 0.275 nan 8.190 nan 0.000 0.470 172 V N 0.115 120.069 119.914 0.067 0.000 2.283 172 V HA -0.149 3.971 4.120 -0.000 0.000 0.243 172 V C 2.693 178.852 176.094 0.109 0.000 1.039 172 V CA 1.776 64.125 62.300 0.080 0.000 1.016 172 V CB -0.980 30.872 31.823 0.048 0.000 0.650 172 V HN 0.543 nan 8.190 nan 0.000 0.449 173 A N -0.416 122.449 122.820 0.075 0.000 2.024 173 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 173 A C 2.109 179.729 177.584 0.061 0.000 1.164 173 A CA 1.737 53.813 52.037 0.065 0.000 0.643 173 A CB -0.497 18.534 19.000 0.052 0.000 0.806 173 A HN 0.421 nan 8.150 nan 0.000 0.451 174 L N -2.279 118.982 121.223 0.063 0.000 2.005 174 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 174 L C 2.361 179.267 176.870 0.058 0.000 1.072 174 L CA 2.022 56.887 54.840 0.042 0.000 0.744 174 L CB -1.100 40.981 42.059 0.035 0.000 0.895 174 L HN 0.568 nan 8.230 nan 0.000 0.433 175 Y N 0.354 120.652 120.300 -0.003 0.000 2.256 175 Y HA -0.305 4.245 4.550 -0.000 0.000 0.288 175 Y C 2.520 178.421 175.900 0.001 0.000 1.155 175 Y CA 1.851 59.951 58.100 0.000 0.000 1.203 175 Y CB 0.068 38.532 38.460 0.008 0.000 0.980 175 Y HN 0.367 nan 8.280 nan 0.000 0.530 176 E N 0.942 121.230 120.200 0.146 0.000 1.998 176 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 176 E C 2.384 178.971 176.600 -0.021 0.000 1.003 176 E CA 1.847 58.293 56.400 0.077 0.000 0.829 176 E CB -0.691 29.059 29.700 0.083 0.000 0.777 176 E HN 0.263 nan 8.360 nan 0.000 0.460 177 R N 0.684 121.177 120.500 -0.012 0.000 2.211 177 R HA -0.157 4.183 4.340 -0.000 0.000 0.240 177 R C 1.191 177.449 176.300 -0.070 0.000 1.144 177 R CA 1.481 57.562 56.100 -0.032 0.000 0.992 177 R CB -0.453 29.837 30.300 -0.017 0.000 0.869 177 R HN 0.266 nan 8.270 nan 0.000 0.462 178 E N 0.719 120.852 120.200 -0.110 0.000 2.461 178 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 178 E C 0.647 177.126 176.600 -0.202 0.000 1.129 178 E CA 0.305 56.611 56.400 -0.157 0.000 0.902 178 E CB 0.144 29.726 29.700 -0.197 0.000 0.963 178 E HN 0.428 nan 8.360 nan 0.000 0.503 179 R N -2.047 118.356 120.500 -0.162 0.000 2.851 179 R HA 0.042 4.382 4.340 -0.000 0.000 0.177 179 R C 1.837 178.092 176.300 -0.075 0.000 0.888 179 R CA 0.737 56.753 56.100 -0.141 0.000 1.326 179 R CB -0.016 30.175 30.300 -0.181 0.000 1.668 179 R HN 0.016 nan 8.270 nan 0.000 0.575 180 S N 0.166 115.832 115.700 -0.056 0.000 2.575 180 S HA 0.136 4.606 4.470 -0.000 0.000 0.215 180 S C 1.405 175.988 174.600 -0.028 0.000 0.966 180 S CA 0.436 58.619 58.200 -0.030 0.000 0.911 180 S CB 0.743 63.935 63.200 -0.013 0.000 0.780 180 S HN 0.487 nan 8.310 nan 0.000 0.514 181 G N 0.588 109.364 108.800 -0.039 0.000 2.309 181 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.286 181 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.286 181 G C -0.002 174.885 174.900 -0.022 0.000 1.002 181 G CA 0.620 45.700 45.100 -0.034 0.000 0.786 181 G HN 0.964 nan 8.290 nan 0.000 0.511 182 V N -0.769 119.135 119.914 -0.017 0.000 2.711 182 V HA 0.740 4.860 4.120 -0.000 0.000 0.304 182 V C 0.840 176.935 176.094 0.002 0.000 1.097 182 V CA -0.401 61.896 62.300 -0.006 0.000 0.906 182 V CB 1.573 33.394 31.823 -0.002 0.000 1.015 182 V HN 0.660 nan 8.190 nan 0.000 0.427 183 G N 3.185 111.990 108.800 0.008 0.000 2.535 183 G HA2 0.673 4.633 3.960 -0.000 0.000 0.282 183 G HA3 0.673 4.633 3.960 -0.000 0.000 0.282 183 G C -0.544 174.376 174.900 0.033 0.000 1.350 183 G CA 0.108 45.221 45.100 0.022 0.000 1.039 183 G HN 0.878 nan 8.290 nan 0.000 0.509 184 Q N -3.083 116.747 119.800 0.051 0.000 2.813 184 Q HA 0.533 4.873 4.340 -0.000 0.000 0.338 184 Q C -1.730 174.323 176.000 0.087 0.000 0.785 184 Q CA -0.917 54.917 55.803 0.051 0.000 0.834 184 Q CB 1.291 30.051 28.738 0.036 0.000 1.329 184 Q HN 0.400 nan 8.270 nan 0.000 0.511 185 V N 1.064 121.017 119.914 0.065 0.000 2.472 185 V HA 0.520 4.640 4.120 -0.000 0.000 0.290 185 V C -0.532 175.615 176.094 0.090 0.000 1.037 185 V CA -0.706 61.652 62.300 0.097 0.000 0.908 185 V CB 1.464 33.286 31.823 -0.002 0.000 0.985 185 V HN 0.509 nan 8.190 nan 0.000 0.454 186 V N 3.216 123.206 119.914 0.126 0.000 2.378 186 V HA 0.376 4.496 4.120 -0.000 0.000 0.288 186 V C -0.586 175.562 176.094 0.089 0.000 1.016 186 V CA -0.425 61.928 62.300 0.088 0.000 0.840 186 V CB 1.717 33.587 31.823 0.077 0.000 0.994 186 V HN 0.932 nan 8.190 nan 0.000 0.431 187 D N 4.535 124.971 120.400 0.060 0.000 2.412 187 D HA 0.559 5.199 4.640 -0.000 0.000 0.224 187 D C -0.018 176.301 176.300 0.032 0.000 1.093 187 D CA -0.164 53.866 54.000 0.050 0.000 0.850 187 D CB 1.601 42.423 40.800 0.036 0.000 1.046 187 D HN 0.683 nan 8.370 nan 0.000 0.507 188 A N 3.291 126.126 122.820 0.025 0.000 2.412 188 A HA 0.672 4.992 4.320 -0.000 0.000 0.334 188 A C -0.095 177.472 177.584 -0.029 0.000 1.419 188 A CA -0.654 51.387 52.037 0.006 0.000 0.930 188 A CB 0.456 19.463 19.000 0.013 0.000 1.149 188 A HN 0.584 nan 8.150 nan 0.000 0.515 189 A N 3.066 125.864 122.820 -0.036 0.000 2.260 189 A HA 0.557 4.877 4.320 -0.000 0.000 0.308 189 A C 0.976 178.487 177.584 -0.122 0.000 1.254 189 A CA -0.553 51.432 52.037 -0.087 0.000 0.874 189 A CB 0.100 19.079 19.000 -0.034 0.000 1.153 189 A HN 0.880 nan 8.150 nan 0.000 0.527 190 M N 2.506 121.956 119.600 -0.249 0.000 2.149 190 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 190 M C 1.983 178.205 176.300 -0.131 0.000 1.064 190 M CA 1.622 56.790 55.300 -0.219 0.000 1.102 190 M CB -0.282 32.099 32.600 -0.366 0.000 1.369 190 M HN 0.647 nan 8.290 nan 0.000 0.408 191 V N 0.516 120.336 119.914 -0.157 0.000 2.392 191 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 191 V C 1.529 177.655 176.094 0.053 0.000 1.059 191 V CA 2.209 64.522 62.300 0.022 0.000 1.051 191 V CB -0.429 31.492 31.823 0.164 0.000 0.658 191 V HN 0.433 nan 8.190 nan 0.000 0.455 192 D N 0.057 120.470 120.400 0.021 0.000 2.097 192 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 192 D C 2.104 178.426 176.300 0.037 0.000 0.984 192 D CA 1.548 55.566 54.000 0.030 0.000 0.826 192 D CB -0.810 39.999 40.800 0.014 0.000 0.973 192 D HN 0.505 nan 8.370 nan 0.000 0.460 193 G N 0.697 109.511 108.800 0.022 0.000 2.421 193 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 193 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 193 G C 1.869 176.804 174.900 0.058 0.000 1.171 193 G CA 0.878 46.000 45.100 0.036 0.000 0.775 193 G HN 0.226 nan 8.290 nan 0.000 0.543 194 V N 0.982 120.931 119.914 0.058 0.000 2.332 194 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 194 V C 3.149 179.309 176.094 0.109 0.000 1.055 194 V CA 2.321 64.669 62.300 0.080 0.000 1.038 194 V CB -0.567 31.304 31.823 0.080 0.000 0.651 194 V HN 0.371 nan 8.190 nan 0.000 0.450 195 S N -0.403 115.375 115.700 0.131 0.000 2.383 195 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 195 S C 1.903 176.630 174.600 0.211 0.000 1.030 195 S CA 1.520 59.849 58.200 0.215 0.000 1.002 195 S CB -0.150 63.166 63.200 0.193 0.000 0.829 195 S HN 0.423 nan 8.310 nan 0.000 0.467 196 V N 1.682 121.673 119.914 0.128 0.000 2.667 196 V HA -0.025 4.095 4.120 -0.000 0.000 0.252 196 V C 1.961 178.121 176.094 0.110 0.000 1.065 196 V CA 1.094 63.458 62.300 0.107 0.000 1.083 196 V CB -0.617 31.246 31.823 0.067 0.000 0.692 196 V HN 0.432 nan 8.190 nan 0.000 0.468 197 L N 0.216 121.500 121.223 0.103 0.000 2.217 197 L HA -0.023 4.317 4.340 -0.000 0.000 0.211 197 L C 2.320 179.245 176.870 0.093 0.000 1.107 197 L CA 1.273 56.169 54.840 0.092 0.000 0.783 197 L CB -0.464 41.649 42.059 0.090 0.000 0.919 197 L HN 0.365 nan 8.230 nan 0.000 0.442 198 A N -1.659 121.226 122.820 0.108 0.000 2.275 198 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 198 A C 1.930 179.585 177.584 0.118 0.000 1.201 198 A CA -0.105 51.965 52.037 0.056 0.000 0.843 198 A CB -0.023 18.958 19.000 -0.032 0.000 0.873 198 A HN 0.234 nan 8.150 nan 0.000 0.492 199 Q N -0.256 119.673 119.800 0.215 0.000 2.103 199 Q HA -0.324 4.016 4.340 -0.000 0.000 0.213 199 Q C 2.021 178.128 176.000 0.179 0.000 1.008 199 Q CA 2.272 58.233 55.803 0.263 0.000 0.879 199 Q CB -0.537 28.295 28.738 0.157 0.000 0.946 199 Q HN 0.838 nan 8.270 nan 0.000 0.413 200 M N -0.772 118.888 119.600 0.099 0.000 2.103 200 M HA -0.300 4.180 4.480 -0.000 0.000 0.255 200 M C 2.060 178.368 176.300 0.014 0.000 1.074 200 M CA 1.902 57.244 55.300 0.070 0.000 1.090 200 M CB -0.100 32.543 32.600 0.071 0.000 1.325 200 M HN 0.218 nan 8.290 nan 0.000 0.403 201 M N -0.191 119.355 119.600 -0.090 0.000 2.080 201 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 201 M C 1.510 177.660 176.300 -0.251 0.000 1.068 201 M CA 2.204 57.331 55.300 -0.289 0.000 1.109 201 M CB -0.899 31.424 32.600 -0.462 0.000 1.342 201 M HN 0.475 nan 8.290 nan 0.000 0.405 202 W N -0.364 120.892 121.300 -0.072 0.000 2.318 202 W HA -0.246 4.414 4.660 0.000 0.000 0.313 202 W C 2.335 178.826 176.519 -0.046 0.000 1.221 202 W CA 1.686 58.997 57.345 -0.058 0.000 1.266 202 W CB -1.172 28.265 29.460 -0.037 0.000 1.150 202 W HN 0.158 nan 8.180 nan 0.000 0.496 203 T N 0.520 115.186 114.554 0.186 0.000 2.665 203 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 203 T C 1.827 176.566 174.700 0.066 0.000 1.035 203 T CA 1.878 64.046 62.100 0.113 0.000 1.151 203 T CB -0.451 68.471 68.868 0.090 0.000 0.862 203 T HN -0.031 nan 8.240 nan 0.000 0.438 204 M N 1.027 120.635 119.600 0.013 0.000 2.080 204 M HA -0.053 4.427 4.480 -0.000 0.000 0.260 204 M C 2.327 178.597 176.300 -0.050 0.000 1.068 204 M CA 1.432 56.714 55.300 -0.029 0.000 1.109 204 M CB -1.062 31.439 32.600 -0.164 0.000 1.342 204 M HN 0.147 nan 8.290 nan 0.000 0.405 205 K N 0.297 120.648 120.400 -0.082 0.000 2.034 205 K HA -0.171 4.149 4.320 -0.000 0.000 0.214 205 K C 1.972 178.589 176.600 0.028 0.000 1.051 205 K CA 2.058 58.313 56.287 -0.053 0.000 0.931 205 K CB -0.699 31.784 32.500 -0.028 0.000 0.715 205 K HN 0.459 nan 8.250 nan 0.000 0.446 206 G N 0.726 109.572 108.800 0.077 0.000 2.443 206 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 206 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 206 G C 1.593 176.518 174.900 0.041 0.000 1.131 206 G CA 0.433 45.573 45.100 0.067 0.000 0.775 206 G HN 0.302 nan 8.290 nan 0.000 0.547 207 I N 0.378 120.970 120.570 0.037 0.000 2.761 207 I HA 0.132 4.302 4.170 -0.000 0.000 0.261 207 I C 2.026 178.159 176.117 0.026 0.000 1.198 207 I CA 0.791 62.111 61.300 0.033 0.000 1.482 207 I CB 0.153 38.178 38.000 0.042 0.000 1.100 207 I HN 0.312 nan 8.210 nan 0.000 0.445 208 G N 0.357 109.167 108.800 0.016 0.000 2.132 208 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.228 208 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.228 208 G C 0.875 175.787 174.900 0.021 0.000 1.000 208 G CA 0.440 45.546 45.100 0.011 0.000 0.693 208 G HN 0.303 nan 8.290 nan 0.000 0.515 209 S N -0.561 115.158 115.700 0.031 0.000 2.558 209 S HA 0.361 4.831 4.470 -0.000 0.000 0.217 209 S C 1.148 175.791 174.600 0.073 0.000 0.975 209 S CA 0.149 58.404 58.200 0.092 0.000 0.912 209 S CB 0.085 63.394 63.200 0.181 0.000 0.776 209 S HN 0.506 nan 8.310 nan 0.000 0.526 210 L N 1.506 122.694 121.223 -0.058 0.000 2.360 210 L HA 0.526 4.866 4.340 -0.000 0.000 0.271 210 L C 0.619 177.451 176.870 -0.064 0.000 1.057 210 L CA -0.650 54.108 54.840 -0.136 0.000 0.803 210 L CB 0.985 42.879 42.059 -0.275 0.000 1.207 210 L HN 0.025 nan 8.230 nan 0.000 0.445 211 R N -0.020 120.448 120.500 -0.054 0.000 3.006 211 R HA 0.218 4.558 4.340 -0.000 0.000 0.235 211 R C -0.040 176.227 176.300 -0.054 0.000 1.362 211 R CA -0.876 55.206 56.100 -0.031 0.000 1.067 211 R CB 0.861 31.163 30.300 0.003 0.000 1.396 211 R HN 0.521 nan 8.270 nan 0.000 0.504 212 D N 0.459 120.837 120.400 -0.037 0.000 2.201 212 D HA -0.075 4.565 4.640 -0.000 0.000 0.209 212 D C 0.060 176.335 176.300 -0.041 0.000 0.961 212 D CA 1.004 54.978 54.000 -0.044 0.000 0.861 212 D CB 0.435 41.217 40.800 -0.029 0.000 0.997 212 D HN 0.313 nan 8.370 nan 0.000 0.486 213 Q N 0.922 120.708 119.800 -0.023 0.000 2.312 213 Q HA 0.202 4.542 4.340 -0.000 0.000 0.236 213 Q C 0.111 176.103 176.000 -0.014 0.000 0.965 213 Q CA -0.255 55.539 55.803 -0.015 0.000 0.894 213 Q CB 1.138 29.875 28.738 -0.001 0.000 1.225 213 Q HN 0.060 nan 8.270 nan 0.000 0.478 214 R N 0.289 120.783 120.500 -0.011 0.000 2.652 214 R HA 0.121 4.461 4.340 -0.000 0.000 0.272 214 R C -0.139 176.166 176.300 0.008 0.000 1.162 214 R CA -0.448 55.648 56.100 -0.008 0.000 1.199 214 R CB 0.187 30.481 30.300 -0.011 0.000 1.166 214 R HN 0.813 nan 8.270 nan 0.000 0.597 215 E N -0.575 119.628 120.200 0.005 0.000 2.360 215 E HA -0.208 4.142 4.350 -0.000 0.000 0.238 215 E C -0.283 176.335 176.600 0.030 0.000 1.186 215 E CA 0.548 56.948 56.400 0.000 0.000 0.719 215 E CB -0.785 28.911 29.700 -0.006 0.000 1.236 215 E HN 0.521 nan 8.360 nan 0.000 0.386 216 S N -1.232 114.507 115.700 0.065 0.000 2.653 216 S HA 0.162 4.631 4.470 -0.000 0.000 0.259 216 S C 0.091 174.786 174.600 0.159 0.000 1.076 216 S CA -0.473 57.782 58.200 0.091 0.000 1.051 216 S CB 0.363 63.601 63.200 0.064 0.000 0.994 216 S HN 0.339 nan 8.310 nan 0.000 0.552 217 F N 1.950 121.883 119.950 -0.028 0.000 2.234 217 F HA 0.446 4.973 4.527 -0.000 0.000 0.292 217 F C 1.129 176.899 175.800 -0.050 0.000 1.187 217 F CA -1.023 56.955 58.000 -0.038 0.000 1.128 217 F CB 0.215 39.179 39.000 -0.060 0.000 1.507 217 F HN -0.002 nan 8.300 nan 0.000 0.512 218 L N 1.144 121.780 121.223 -0.977 0.000 2.162 218 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 218 L C 1.039 177.548 176.870 -0.602 0.000 1.086 218 L CA 1.740 56.115 54.840 -0.774 0.000 0.778 218 L CB -0.549 40.961 42.059 -0.916 0.000 0.928 218 L HN 0.582 nan 8.230 nan 0.000 0.446 219 L N 0.352 121.243 121.223 -0.553 0.000 2.741 219 L HA 0.220 4.560 4.340 -0.000 0.000 0.237 219 L C 0.279 177.219 176.870 0.117 0.000 1.178 219 L CA 0.113 54.818 54.840 -0.225 0.000 0.973 219 L CB -0.363 41.595 42.059 -0.169 0.000 1.255 219 L HN 0.317 nan 8.230 nan 0.000 0.498 220 D N -0.931 119.535 120.400 0.110 0.000 2.571 220 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 220 D C 1.182 177.472 176.300 -0.018 0.000 1.267 220 D CA 0.350 54.405 54.000 0.091 0.000 0.823 220 D CB 0.822 41.702 40.800 0.133 0.000 1.056 220 D HN 0.165 nan 8.370 nan 0.000 0.494 221 G N -0.037 108.742 108.800 -0.034 0.000 2.213 221 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 221 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 221 G C 1.251 176.082 174.900 -0.115 0.000 0.991 221 G CA 0.119 45.149 45.100 -0.116 0.000 0.629 221 G HN 0.646 nan 8.290 nan 0.000 0.517 222 G N 0.246 109.004 108.800 -0.070 0.000 2.708 222 G HA2 0.456 4.416 3.960 -0.000 0.000 0.210 222 G HA3 0.456 4.416 3.960 -0.000 0.000 0.210 222 G C 0.668 175.514 174.900 -0.090 0.000 1.141 222 G CA 1.487 46.567 45.100 -0.034 0.000 0.788 222 G HN 1.794 nan 8.290 nan 0.000 0.531 223 A N 0.750 123.398 122.820 -0.285 0.000 2.323 223 A HA 0.677 4.997 4.320 -0.000 0.000 0.305 223 A C -1.066 176.191 177.584 -0.543 0.000 1.275 223 A CA -1.393 50.227 52.037 -0.694 0.000 0.804 223 A CB 1.723 20.066 19.000 -1.095 0.000 1.152 223 A HN -0.002 nan 8.150 nan 0.000 0.487 224 P HA -0.196 nan 4.420 nan 0.000 0.222 224 P C 0.730 178.328 177.300 0.497 0.000 1.142 224 P CA 1.334 64.569 63.100 0.224 0.000 0.788 224 P CB -0.230 31.658 31.700 0.314 0.000 0.767 225 F N -3.913 116.255 119.950 0.363 0.000 2.692 225 F HA 0.360 4.887 4.527 -0.000 0.000 0.303 225 F C 0.458 176.432 175.800 0.291 0.000 1.114 225 F CA -0.941 57.324 58.000 0.441 0.000 1.361 225 F CB -0.773 38.585 39.000 0.597 0.000 1.063 225 F HN -0.232 nan 8.300 nan 0.000 0.550 226 Y N 2.985 123.203 120.300 -0.138 0.000 2.542 226 Y HA 0.443 4.993 4.550 -0.000 0.000 0.316 226 Y C -0.219 175.564 175.900 -0.196 0.000 1.107 226 Y CA -1.401 56.600 58.100 -0.164 0.000 1.233 226 Y CB 0.107 38.404 38.460 -0.271 0.000 1.111 226 Y HN 0.314 nan 8.280 nan 0.000 0.613 227 R N -0.183 120.069 120.500 -0.412 0.000 3.304 227 R HA 0.780 5.120 4.340 -0.000 0.000 0.262 227 R C -1.849 174.138 176.300 -0.521 0.000 0.972 227 R CA -0.783 55.045 56.100 -0.454 0.000 0.829 227 R CB 0.308 30.386 30.300 -0.370 0.000 1.583 227 R HN 0.192 nan 8.270 nan 0.000 0.422 228 C N -0.175 118.782 119.300 -0.572 0.000 2.493 228 C HA 0.730 5.190 4.460 -0.000 0.000 0.326 228 C C -1.320 173.244 174.990 -0.710 0.000 1.200 228 C CA -0.364 58.323 59.018 -0.552 0.000 1.739 228 C CB 0.767 28.251 27.740 -0.427 0.000 2.300 228 C HN 0.574 nan 8.230 nan 0.000 0.500 229 Y N 0.475 120.612 120.300 -0.271 0.000 2.425 229 Y HA 0.431 4.981 4.550 -0.000 0.000 0.344 229 Y C 0.167 176.076 175.900 0.014 0.000 0.969 229 Y CA -0.536 57.471 58.100 -0.155 0.000 1.052 229 Y CB 1.079 39.312 38.460 -0.379 0.000 1.215 229 Y HN 0.677 nan 8.280 nan 0.000 0.451 230 E N 1.846 122.243 120.200 0.327 0.000 2.354 230 E HA 0.279 4.629 4.350 -0.000 0.000 0.269 230 E C -0.263 176.452 176.600 0.193 0.000 1.036 230 E CA -0.371 56.203 56.400 0.290 0.000 0.876 230 E CB 0.914 30.768 29.700 0.257 0.000 1.009 230 E HN 0.733 nan 8.360 nan 0.000 0.416 231 T N 0.497 115.117 114.554 0.110 0.000 2.880 231 T HA 0.150 4.500 4.350 -0.000 0.000 0.279 231 T C 1.375 176.146 174.700 0.118 0.000 0.990 231 T CA -0.040 62.191 62.100 0.217 0.000 0.938 231 T CB 1.095 70.118 68.868 0.258 0.000 1.206 231 T HN 0.524 nan 8.240 nan 0.000 0.573 232 S N 0.669 116.442 115.700 0.122 0.000 2.356 232 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 232 S C 1.163 175.766 174.600 0.004 0.000 1.032 232 S CA 1.136 59.366 58.200 0.050 0.000 1.005 232 S CB -1.032 62.180 63.200 0.019 0.000 0.867 232 S HN 0.902 nan 8.310 nan 0.000 0.449 233 D N 1.344 121.738 120.400 -0.009 0.000 2.663 233 D HA 0.287 4.927 4.640 -0.000 0.000 0.243 233 D C 1.195 177.447 176.300 -0.079 0.000 1.218 233 D CA 0.298 54.276 54.000 -0.036 0.000 0.846 233 D CB -1.092 39.690 40.800 -0.031 0.000 1.014 233 D HN 0.583 nan 8.370 nan 0.000 0.476 234 G N -0.053 108.685 108.800 -0.103 0.000 2.244 234 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.274 234 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.274 234 G C 0.588 175.232 174.900 -0.426 0.000 1.002 234 G CA 0.966 45.941 45.100 -0.207 0.000 0.740 234 G HN 0.493 nan 8.290 nan 0.000 0.516 235 K N -1.293 118.896 120.400 -0.352 0.000 2.760 235 K HA 0.802 5.122 4.320 -0.000 0.000 0.285 235 K C -0.224 176.004 176.600 -0.619 0.000 1.016 235 K CA -0.411 55.627 56.287 -0.415 0.000 1.087 235 K CB 0.354 32.778 32.500 -0.127 0.000 1.427 235 K HN 0.155 nan 8.250 nan 0.000 0.524 236 Y N -0.635 119.653 120.300 -0.020 0.000 2.544 236 Y HA 0.460 5.010 4.550 -0.000 0.000 0.342 236 Y C -0.698 175.129 175.900 -0.123 0.000 1.062 236 Y CA -0.991 57.063 58.100 -0.076 0.000 1.023 236 Y CB 1.641 40.039 38.460 -0.102 0.000 1.308 236 Y HN 0.152 nan 8.280 nan 0.000 0.457 237 M N 2.038 121.605 119.600 -0.057 0.000 2.393 237 M HA 0.662 5.142 4.480 -0.000 0.000 0.316 237 M C -0.674 175.413 176.300 -0.355 0.000 1.087 237 M CA -1.059 54.093 55.300 -0.247 0.000 0.937 237 M CB 1.828 34.144 32.600 -0.474 0.000 1.668 237 M HN 0.798 nan 8.290 nan 0.000 0.438 238 A N 3.829 126.462 122.820 -0.310 0.000 2.260 238 A HA 0.691 5.011 4.320 -0.000 0.000 0.308 238 A C -0.444 176.920 177.584 -0.367 0.000 1.254 238 A CA -0.548 51.284 52.037 -0.342 0.000 0.874 238 A CB 0.349 19.178 19.000 -0.286 0.000 1.153 238 A HN 0.603 nan 8.150 nan 0.000 0.527 239 V N 1.937 121.626 119.914 -0.375 0.000 2.483 239 V HA 0.732 4.852 4.120 -0.000 0.000 0.295 239 V C 0.931 176.865 176.094 -0.267 0.000 1.035 239 V CA 0.253 62.382 62.300 -0.285 0.000 0.896 239 V CB 1.798 33.534 31.823 -0.145 0.000 0.986 239 V HN 1.132 nan 8.190 nan 0.000 0.447 240 G N 2.330 111.059 108.800 -0.118 0.000 4.773 240 G HA2 0.441 4.401 3.960 -0.000 0.000 0.269 240 G HA3 0.441 4.401 3.960 -0.000 0.000 0.269 240 G C 0.326 175.402 174.900 0.294 0.000 0.992 240 G CA 0.410 45.560 45.100 0.083 0.000 0.775 240 G HN 0.991 nan 8.290 nan 0.000 0.471 241 A N 0.989 123.986 122.820 0.295 0.000 2.897 241 A HA 0.521 4.841 4.320 -0.000 0.000 0.287 241 A C 1.219 179.164 177.584 0.603 0.000 1.748 241 A CA -0.083 52.197 52.037 0.406 0.000 1.397 241 A CB -0.456 18.726 19.000 0.304 0.000 1.049 241 A HN 0.414 nan 8.150 nan 0.000 0.592 242 I N 0.229 121.122 120.570 0.539 0.000 2.368 242 I HA -0.015 4.155 4.170 -0.000 0.000 0.238 242 I C 0.666 176.922 176.117 0.233 0.000 1.076 242 I CA 0.229 61.810 61.300 0.468 0.000 1.397 242 I CB -0.331 37.849 38.000 0.300 0.000 1.141 242 I HN 0.441 nan 8.210 nan 0.000 0.430 243 E N 2.836 123.148 120.200 0.186 0.000 2.502 243 E HA -0.068 4.282 4.350 -0.000 0.000 0.261 243 E C -1.523 175.006 176.600 -0.117 0.000 0.974 243 E CA -0.844 55.489 56.400 -0.113 0.000 0.936 243 E CB 0.012 29.372 29.700 -0.568 0.000 0.926 243 E HN 0.160 nan 8.360 nan 0.000 0.459 244 P HA -0.294 nan 4.420 nan 0.000 0.217 244 P C 1.161 178.450 177.300 -0.017 0.000 1.148 244 P CA 1.482 64.526 63.100 -0.095 0.000 0.828 244 P CB 0.359 31.984 31.700 -0.124 0.000 0.783 245 Q N -0.815 118.889 119.800 -0.161 0.000 2.050 245 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 245 Q C 1.991 178.029 176.000 0.063 0.000 0.980 245 Q CA 1.511 57.242 55.803 -0.120 0.000 0.840 245 Q CB -0.388 28.176 28.738 -0.290 0.000 0.898 245 Q HN 0.094 nan 8.270 nan 0.000 0.424 246 F N -0.341 119.665 119.950 0.093 0.000 2.259 246 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 246 F C 1.967 177.832 175.800 0.110 0.000 1.088 246 F CA 0.309 58.364 58.000 0.091 0.000 1.358 246 F CB -1.017 38.039 39.000 0.093 0.000 1.040 246 F HN 0.145 nan 8.300 nan 0.000 0.505 247 F N 0.868 120.904 119.950 0.143 0.000 2.269 247 F HA -0.036 4.491 4.527 -0.000 0.000 0.301 247 F C 2.196 178.033 175.800 0.061 0.000 1.082 247 F CA 0.827 58.861 58.000 0.058 0.000 1.360 247 F CB -0.371 38.582 39.000 -0.079 0.000 1.041 247 F HN -0.067 nan 8.300 nan 0.000 0.512 248 A N 0.539 123.464 122.820 0.175 0.000 1.841 248 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 248 A C 2.480 180.080 177.584 0.027 0.000 1.195 248 A CA 1.709 53.799 52.037 0.089 0.000 0.611 248 A CB -1.611 17.452 19.000 0.104 0.000 0.835 248 A HN 0.451 nan 8.150 nan 0.000 0.443 249 A N -0.019 122.857 122.820 0.093 0.000 1.873 249 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 249 A C 2.191 179.841 177.584 0.110 0.000 1.193 249 A CA 1.836 53.937 52.037 0.108 0.000 0.629 249 A CB -0.864 18.239 19.000 0.171 0.000 0.826 249 A HN 0.630 nan 8.150 nan 0.000 0.447 250 L N -1.007 120.244 121.223 0.046 0.000 2.021 250 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 250 L C 2.407 179.194 176.870 -0.138 0.000 1.074 250 L CA 2.488 57.297 54.840 -0.051 0.000 0.760 250 L CB -0.958 40.904 42.059 -0.328 0.000 0.889 250 L HN 0.384 nan 8.230 nan 0.000 0.433 251 L N -0.361 120.692 121.223 -0.284 0.000 2.141 251 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 251 L C 2.865 179.669 176.870 -0.110 0.000 1.094 251 L CA 1.656 56.356 54.840 -0.233 0.000 0.763 251 L CB -0.640 41.274 42.059 -0.242 0.000 0.908 251 L HN 0.333 nan 8.230 nan 0.000 0.437 252 S N -0.739 114.920 115.700 -0.068 0.000 2.343 252 S HA -0.131 4.339 4.470 -0.000 0.000 0.212 252 S C 2.126 176.652 174.600 -0.124 0.000 1.033 252 S CA 1.297 59.459 58.200 -0.064 0.000 1.004 252 S CB -0.901 62.278 63.200 -0.035 0.000 0.977 252 S HN 0.477 nan 8.310 nan 0.000 0.427 253 G N 1.250 109.924 108.800 -0.210 0.000 2.507 253 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.221 253 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.221 253 G C 1.304 175.946 174.900 -0.429 0.000 1.119 253 G CA 1.117 45.908 45.100 -0.514 0.000 0.751 253 G HN 0.498 nan 8.290 nan 0.000 0.574 254 L N 0.786 121.865 121.223 -0.239 0.000 2.551 254 L HA 0.277 4.617 4.340 -0.000 0.000 0.228 254 L C 1.942 178.774 176.870 -0.064 0.000 1.153 254 L CA 1.095 55.831 54.840 -0.174 0.000 0.851 254 L CB -0.330 41.535 42.059 -0.324 0.000 0.959 254 L HN 0.399 nan 8.230 nan 0.000 0.451 255 G N -0.013 108.744 108.800 -0.072 0.000 2.272 255 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 255 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 255 G C -0.087 174.796 174.900 -0.028 0.000 1.067 255 G CA 0.495 45.571 45.100 -0.041 0.000 0.902 255 G HN 0.302 nan 8.290 nan 0.000 0.500 256 L N -0.071 121.132 121.223 -0.035 0.000 2.381 256 L HA 0.691 5.031 4.340 -0.000 0.000 0.268 256 L C 0.532 177.402 176.870 -0.000 0.000 0.997 256 L CA -0.919 53.916 54.840 -0.008 0.000 0.818 256 L CB 2.225 44.291 42.059 0.012 0.000 1.310 256 L HN 0.195 nan 8.230 nan 0.000 0.416 257 S N 0.894 116.603 115.700 0.015 0.000 2.537 257 S HA 0.426 4.896 4.470 -0.000 0.000 0.275 257 S C 1.141 175.767 174.600 0.044 0.000 1.272 257 S CA 0.104 58.317 58.200 0.021 0.000 1.050 257 S CB 1.634 64.845 63.200 0.018 0.000 0.961 257 S HN 0.726 nan 8.310 nan 0.000 0.496 258 A N 5.037 127.889 122.820 0.053 0.000 1.915 258 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 258 A C 2.317 179.950 177.584 0.082 0.000 1.198 258 A CA 2.388 54.478 52.037 0.089 0.000 0.647 258 A CB -1.482 17.568 19.000 0.083 0.000 0.825 258 A HN 1.285 nan 8.150 nan 0.000 0.456 259 A N -0.855 121.997 122.820 0.054 0.000 2.070 259 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 259 A C 1.716 179.327 177.584 0.044 0.000 1.159 259 A CA 1.703 53.767 52.037 0.045 0.000 0.656 259 A CB -0.436 18.582 19.000 0.031 0.000 0.800 259 A HN 0.550 nan 8.150 nan 0.000 0.453 260 D N -0.268 120.160 120.400 0.046 0.000 2.091 260 D HA 0.007 4.647 4.640 -0.000 0.000 0.199 260 D C 0.703 177.032 176.300 0.049 0.000 0.980 260 D CA 1.018 55.042 54.000 0.041 0.000 0.831 260 D CB -0.266 40.555 40.800 0.035 0.000 0.987 260 D HN 0.216 nan 8.370 nan 0.000 0.460 261 V N 2.364 122.322 119.914 0.073 0.000 2.567 261 V HA 0.220 4.340 4.120 -0.000 0.000 0.289 261 V C -1.967 174.194 176.094 0.112 0.000 1.049 261 V CA -1.609 60.739 62.300 0.080 0.000 0.969 261 V CB 1.170 33.066 31.823 0.121 0.000 0.995 261 V HN -0.059 nan 8.190 nan 0.000 0.471 262 P HA 0.112 nan 4.420 nan 0.000 0.271 262 P C -0.048 177.335 177.300 0.138 0.000 1.238 262 P CA -0.013 63.147 63.100 0.100 0.000 0.794 262 P CB 0.176 31.936 31.700 0.100 0.000 0.959 263 T N -2.244 112.353 114.554 0.071 0.000 2.909 263 T HA 0.157 4.507 4.350 -0.000 0.000 0.286 263 T C 1.139 175.794 174.700 -0.075 0.000 1.002 263 T CA -0.585 61.508 62.100 -0.012 0.000 1.074 263 T CB 0.661 69.508 68.868 -0.035 0.000 0.984 263 T HN 0.332 nan 8.240 nan 0.000 0.495 264 Q N 0.263 119.830 119.800 -0.387 0.000 2.173 264 Q HA -0.122 4.218 4.340 -0.000 0.000 0.208 264 Q C 1.884 177.880 176.000 -0.007 0.000 0.989 264 Q CA 1.121 56.681 55.803 -0.407 0.000 0.872 264 Q CB -0.247 27.934 28.738 -0.929 0.000 0.909 264 Q HN 0.570 nan 8.270 nan 0.000 0.420 265 L N 1.159 122.327 121.223 -0.091 0.000 2.201 265 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 265 L C 0.776 177.594 176.870 -0.087 0.000 1.105 265 L CA 1.262 56.066 54.840 -0.061 0.000 0.775 265 L CB -0.588 41.428 42.059 -0.070 0.000 0.913 265 L HN 0.175 nan 8.230 nan 0.000 0.440 266 D N -0.027 120.332 120.400 -0.069 0.000 2.885 266 D HA -0.018 4.622 4.640 -0.000 0.000 0.234 266 D C 1.652 177.781 176.300 -0.285 0.000 1.129 266 D CA 0.022 53.959 54.000 -0.105 0.000 0.991 266 D CB -0.005 40.780 40.800 -0.026 0.000 1.137 266 D HN -0.015 nan 8.370 nan 0.000 0.459 267 V N 1.707 121.296 119.914 -0.542 0.000 2.363 267 V HA -0.354 3.766 4.120 -0.000 0.000 0.254 267 V C 2.525 178.253 176.094 -0.610 0.000 1.074 267 V CA 2.138 63.766 62.300 -1.121 0.000 1.069 267 V CB -0.748 30.676 31.823 -0.664 0.000 0.659 267 V HN 0.570 nan 8.190 nan 0.000 0.455 268 A N 0.046 122.699 122.820 -0.280 0.000 2.076 268 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 268 A C 2.110 179.662 177.584 -0.053 0.000 1.160 268 A CA 1.713 53.674 52.037 -0.127 0.000 0.653 268 A CB -0.669 18.284 19.000 -0.079 0.000 0.801 268 A HN 0.617 nan 8.150 nan 0.000 0.455 269 G N -2.963 105.814 108.800 -0.039 0.000 3.337 269 G HA2 0.224 4.184 3.960 -0.000 0.000 0.246 269 G HA3 0.224 4.184 3.960 -0.000 0.000 0.246 269 G C 0.993 176.005 174.900 0.186 0.000 1.131 269 G CA -0.056 45.080 45.100 0.060 0.000 0.773 269 G HN 0.606 nan 8.290 nan 0.000 0.544 270 Y N 1.188 121.521 120.300 0.055 0.000 2.114 270 Y HA -0.143 4.407 4.550 -0.000 0.000 0.284 270 Y C 0.325 176.280 175.900 0.092 0.000 1.143 270 Y CA 0.867 59.014 58.100 0.079 0.000 1.135 270 Y CB -0.644 37.864 38.460 0.079 0.000 0.980 270 Y HN 0.234 nan 8.280 nan 0.000 0.499 271 P HA -0.266 nan 4.420 nan 0.000 0.217 271 P C 1.302 178.735 177.300 0.223 0.000 1.151 271 P CA 1.982 65.209 63.100 0.212 0.000 0.849 271 P CB -0.143 31.643 31.700 0.143 0.000 0.787 272 Q N -1.052 118.839 119.800 0.153 0.000 2.020 272 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 272 Q C 2.162 178.186 176.000 0.040 0.000 0.974 272 Q CA 1.322 57.181 55.803 0.093 0.000 0.829 272 Q CB -0.552 28.226 28.738 0.065 0.000 0.894 272 Q HN 0.138 nan 8.270 nan 0.000 0.433 273 M N -0.237 119.372 119.600 0.015 0.000 2.195 273 M HA -0.241 4.239 4.480 -0.000 0.000 0.260 273 M C 1.869 177.967 176.300 -0.336 0.000 1.066 273 M CA 1.628 56.785 55.300 -0.239 0.000 1.089 273 M CB -0.226 32.264 32.600 -0.183 0.000 1.377 273 M HN 0.387 nan 8.290 nan 0.000 0.411 274 Y N 1.368 121.607 120.300 -0.102 0.000 2.163 274 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 274 Y C 1.788 177.766 175.900 0.130 0.000 1.136 274 Y CA 2.071 60.233 58.100 0.102 0.000 1.147 274 Y CB -0.578 37.981 38.460 0.165 0.000 0.987 274 Y HN 0.352 nan 8.280 nan 0.000 0.509 275 D N 0.205 120.581 120.400 -0.039 0.000 2.097 275 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 275 D C 2.200 178.441 176.300 -0.098 0.000 0.989 275 D CA 1.702 55.623 54.000 -0.132 0.000 0.827 275 D CB -0.313 40.482 40.800 -0.008 0.000 0.966 275 D HN 0.373 nan 8.370 nan 0.000 0.456 276 I N 0.573 121.097 120.570 -0.077 0.000 2.264 276 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 276 I C 2.348 178.496 176.117 0.052 0.000 1.111 276 I CA 0.996 62.276 61.300 -0.033 0.000 1.382 276 I CB -0.525 37.442 38.000 -0.054 0.000 1.060 276 I HN -0.000 nan 8.210 nan 0.000 0.418 277 F N -0.112 119.716 119.950 -0.202 0.000 2.146 277 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 277 F C 2.545 178.056 175.800 -0.481 0.000 1.096 277 F CA 0.454 58.198 58.000 -0.426 0.000 1.275 277 F CB -0.404 38.262 39.000 -0.557 0.000 1.008 277 F HN 0.061 nan 8.300 nan 0.000 0.480 278 A N 0.319 123.021 122.820 -0.196 0.000 1.877 278 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 278 A C 1.837 179.447 177.584 0.042 0.000 1.186 278 A CA 1.948 53.963 52.037 -0.036 0.000 0.620 278 A CB -0.820 18.073 19.000 -0.178 0.000 0.822 278 A HN 0.372 nan 8.150 nan 0.000 0.443 279 E N -0.054 120.145 120.200 -0.002 0.000 2.013 279 E HA -0.269 4.081 4.350 -0.000 0.000 0.202 279 E C 2.172 178.823 176.600 0.085 0.000 1.018 279 E CA 2.103 58.524 56.400 0.036 0.000 0.834 279 E CB -0.279 29.430 29.700 0.015 0.000 0.770 279 E HN 0.442 nan 8.360 nan 0.000 0.459 280 R N -1.119 119.412 120.500 0.052 0.000 2.083 280 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 280 R C 2.307 178.783 176.300 0.293 0.000 1.137 280 R CA 1.810 57.969 56.100 0.099 0.000 0.951 280 R CB -0.784 29.486 30.300 -0.049 0.000 0.851 280 R HN 0.256 nan 8.270 nan 0.000 0.434 281 F N -0.019 119.980 119.950 0.081 0.000 2.161 281 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 281 F C 2.153 178.227 175.800 0.457 0.000 1.089 281 F CA 1.422 59.475 58.000 0.087 0.000 1.282 281 F CB -0.645 38.212 39.000 -0.238 0.000 1.010 281 F HN 0.155 nan 8.300 nan 0.000 0.485 282 A N -1.056 122.027 122.820 0.439 0.000 2.235 282 A HA 0.014 4.334 4.320 -0.000 0.000 0.208 282 A C 1.920 179.640 177.584 0.228 0.000 1.172 282 A CA 1.020 53.240 52.037 0.305 0.000 0.786 282 A CB -0.929 18.187 19.000 0.194 0.000 0.804 282 A HN 0.308 nan 8.150 nan 0.000 0.479 283 S N -0.986 114.864 115.700 0.250 0.000 2.577 283 S HA 0.355 4.825 4.470 -0.000 0.000 0.219 283 S C 0.563 175.147 174.600 -0.026 0.000 0.962 283 S CA -0.536 57.723 58.200 0.098 0.000 0.921 283 S CB 0.082 63.328 63.200 0.077 0.000 0.789 283 S HN 0.528 nan 8.310 nan 0.000 0.497 284 R N 0.322 120.803 120.500 -0.031 0.000 2.781 284 R HA 0.461 4.801 4.340 -0.000 0.000 0.269 284 R C -0.985 175.213 176.300 -0.169 0.000 1.025 284 R CA -0.504 55.389 56.100 -0.345 0.000 0.914 284 R CB 1.159 30.802 30.300 -1.096 0.000 1.236 284 R HN 0.326 nan 8.270 nan 0.000 0.465 285 T N -1.918 112.521 114.554 -0.191 0.000 2.913 285 T HA 0.177 4.527 4.350 -0.000 0.000 0.287 285 T C 1.112 175.853 174.700 0.067 0.000 1.008 285 T CA -0.736 61.343 62.100 -0.034 0.000 1.067 285 T CB 1.777 70.614 68.868 -0.051 0.000 0.996 285 T HN 0.720 nan 8.240 nan 0.000 0.513 286 R N 1.129 121.719 120.500 0.150 0.000 2.119 286 R HA -0.213 4.127 4.340 -0.000 0.000 0.246 286 R C 1.235 177.644 176.300 0.182 0.000 1.146 286 R CA 2.572 58.802 56.100 0.217 0.000 0.962 286 R CB -0.742 29.624 30.300 0.110 0.000 0.863 286 R HN 0.829 nan 8.270 nan 0.000 0.442 287 D N 0.111 120.560 120.400 0.083 0.000 2.103 287 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 287 D C 1.831 178.163 176.300 0.053 0.000 0.997 287 D CA 1.985 56.017 54.000 0.054 0.000 0.833 287 D CB -0.274 40.533 40.800 0.011 0.000 0.961 287 D HN 0.455 nan 8.370 nan 0.000 0.447 288 E N -0.193 119.993 120.200 -0.024 0.000 2.049 288 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 288 E C 2.230 178.840 176.600 0.016 0.000 1.007 288 E CA 1.085 57.424 56.400 -0.101 0.000 0.809 288 E CB -0.376 29.149 29.700 -0.292 0.000 0.749 288 E HN 0.470 nan 8.360 nan 0.000 0.450 289 W N 0.951 122.309 121.300 0.096 0.000 2.318 289 W HA -0.219 4.441 4.660 -0.000 0.000 0.313 289 W C 2.703 179.361 176.519 0.232 0.000 1.221 289 W CA 1.108 58.577 57.345 0.206 0.000 1.266 289 W CB -0.376 29.269 29.460 0.308 0.000 1.150 289 W HN 0.073 nan 8.180 nan 0.000 0.496 290 T N 0.042 114.840 114.554 0.406 0.000 2.759 290 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 290 T C 1.572 176.390 174.700 0.195 0.000 1.042 290 T CA 1.469 63.724 62.100 0.258 0.000 1.140 290 T CB -0.272 68.688 68.868 0.153 0.000 0.864 290 T HN 0.179 nan 8.240 nan 0.000 0.455 291 R N 0.259 120.846 120.500 0.145 0.000 2.062 291 R HA -0.023 4.316 4.340 -0.000 0.000 0.231 291 R C 2.553 178.890 176.300 0.062 0.000 1.136 291 R CA 1.050 57.193 56.100 0.072 0.000 0.948 291 R CB -0.830 29.483 30.300 0.022 0.000 0.845 291 R HN 0.231 nan 8.270 nan 0.000 0.430 292 V N 0.820 120.774 119.914 0.067 0.000 2.214 292 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 292 V C 1.922 177.953 176.094 -0.105 0.000 1.051 292 V CA 1.960 64.223 62.300 -0.062 0.000 1.003 292 V CB -0.576 31.194 31.823 -0.089 0.000 0.635 292 V HN 0.217 nan 8.190 nan 0.000 0.447 293 F N 0.723 120.743 119.950 0.118 0.000 2.771 293 F HA 0.343 4.870 4.527 -0.000 0.000 0.299 293 F C 1.452 177.264 175.800 0.020 0.000 1.177 293 F CA 0.140 58.169 58.000 0.047 0.000 1.450 293 F CB -0.732 38.286 39.000 0.029 0.000 1.114 293 F HN 0.061 nan 8.300 nan 0.000 0.587 294 A N 0.373 123.293 122.820 0.166 0.000 2.546 294 A HA 0.385 4.705 4.320 -0.000 0.000 0.243 294 A C 1.648 179.265 177.584 0.055 0.000 1.063 294 A CA 0.633 52.726 52.037 0.094 0.000 0.757 294 A CB -0.640 18.400 19.000 0.067 0.000 0.991 294 A HN 0.822 nan 8.150 nan 0.000 0.503 295 G N 1.798 110.617 108.800 0.032 0.000 2.302 295 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 295 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 295 G C 0.739 175.649 174.900 0.016 0.000 0.995 295 G CA 1.548 46.657 45.100 0.014 0.000 0.622 295 G HN 2.158 nan 8.290 nan 0.000 0.538 296 T N -1.600 112.978 114.554 0.041 0.000 2.904 296 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 296 T C 0.219 174.930 174.700 0.019 0.000 1.018 296 T CA 0.187 62.318 62.100 0.050 0.000 1.075 296 T CB 1.601 70.524 68.868 0.091 0.000 0.986 296 T HN -0.070 nan 8.240 nan 0.000 0.523 297 D N 1.320 121.731 120.400 0.019 0.000 2.504 297 D HA 0.319 4.959 4.640 -0.000 0.000 0.243 297 D C 1.577 177.814 176.300 -0.105 0.000 1.203 297 D CA 0.022 53.964 54.000 -0.096 0.000 0.847 297 D CB -0.470 40.349 40.800 0.033 0.000 0.973 297 D HN 0.734 nan 8.370 nan 0.000 0.490 298 A N -0.785 122.038 122.820 0.004 0.000 2.167 298 A HA -0.010 4.309 4.320 -0.000 0.000 0.214 298 A C 1.496 179.013 177.584 -0.111 0.000 1.151 298 A CA -0.014 52.051 52.037 0.047 0.000 0.735 298 A CB -0.317 18.836 19.000 0.256 0.000 0.802 298 A HN 0.424 nan 8.150 nan 0.000 0.467 299 C N -1.230 117.943 119.300 -0.212 0.000 4.365 299 C HA -0.109 4.351 4.460 -0.000 0.000 0.299 299 C C 0.299 175.150 174.990 -0.232 0.000 1.409 299 C CA 0.302 59.183 59.018 -0.229 0.000 2.007 299 C CB -3.161 24.462 27.740 -0.194 0.000 1.264 299 C HN 0.412 nan 8.230 nan 0.000 0.777 300 V N 1.345 121.092 119.914 -0.279 0.000 2.326 300 V HA 0.659 4.779 4.120 -0.000 0.000 0.281 300 V C 0.476 176.436 176.094 -0.225 0.000 1.015 300 V CA 0.380 62.433 62.300 -0.412 0.000 0.823 300 V CB 1.962 33.180 31.823 -1.009 0.000 1.009 300 V HN 0.584 nan 8.190 nan 0.000 0.436 301 T N 3.372 117.808 114.554 -0.197 0.000 2.916 301 T HA 0.706 5.056 4.350 -0.000 0.000 0.292 301 T C -3.061 171.578 174.700 -0.101 0.000 1.055 301 T CA -2.429 59.604 62.100 -0.111 0.000 1.009 301 T CB 2.650 71.450 68.868 -0.113 0.000 1.118 301 T HN 0.406 nan 8.240 nan 0.000 0.497 302 P HA 0.322 nan 4.420 nan 0.000 0.284 302 P C -0.539 176.728 177.300 -0.054 0.000 1.253 302 P CA -0.498 62.589 63.100 -0.022 0.000 0.800 302 P CB 0.970 32.685 31.700 0.025 0.000 0.961 303 V N 4.948 124.833 119.914 -0.049 0.000 2.405 303 V HA 0.097 4.217 4.120 -0.000 0.000 0.264 303 V C 0.794 176.852 176.094 -0.061 0.000 1.048 303 V CA -0.034 62.223 62.300 -0.071 0.000 0.966 303 V CB -0.326 31.476 31.823 -0.035 0.000 1.015 303 V HN 0.351 nan 8.190 nan 0.000 0.477 304 L N 4.357 125.520 121.223 -0.100 0.000 2.343 304 L HA 0.784 5.124 4.340 -0.000 0.000 0.275 304 L C 0.643 177.410 176.870 -0.172 0.000 1.056 304 L CA -0.424 54.359 54.840 -0.096 0.000 0.804 304 L CB 1.278 43.292 42.059 -0.075 0.000 1.203 304 L HN 0.642 nan 8.230 nan 0.000 0.440 305 A N 1.169 123.910 122.820 -0.131 0.000 2.271 305 A HA 0.282 4.602 4.320 -0.000 0.000 0.288 305 A C 0.446 177.936 177.584 -0.156 0.000 1.094 305 A CA -0.382 51.542 52.037 -0.190 0.000 0.828 305 A CB 0.171 19.140 19.000 -0.052 0.000 1.091 305 A HN 0.874 nan 8.150 nan 0.000 0.493 306 W N 0.791 122.096 121.300 0.008 0.000 2.290 306 W HA -0.270 4.390 4.660 -0.000 0.000 0.323 306 W C 2.587 179.110 176.519 0.006 0.000 1.260 306 W CA 2.010 59.358 57.345 0.005 0.000 1.266 306 W CB -0.704 28.759 29.460 0.004 0.000 1.149 306 W HN 0.664 nan 8.180 nan 0.000 0.482 307 S N 0.142 115.983 115.700 0.234 0.000 2.353 307 S HA -0.255 4.215 4.470 -0.000 0.000 0.222 307 S C 1.448 176.100 174.600 0.086 0.000 1.035 307 S CA 1.875 60.156 58.200 0.135 0.000 1.025 307 S CB -0.644 62.617 63.200 0.102 0.000 0.902 307 S HN 0.391 nan 8.310 nan 0.000 0.440 308 E N 1.233 121.466 120.200 0.055 0.000 2.118 308 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 308 E C 2.353 178.967 176.600 0.024 0.000 0.992 308 E CA 0.987 57.403 56.400 0.026 0.000 0.804 308 E CB -0.285 29.416 29.700 0.002 0.000 0.741 308 E HN 0.523 nan 8.360 nan 0.000 0.458 309 A N 1.572 124.405 122.820 0.022 0.000 1.877 309 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 309 A C 2.442 180.056 177.584 0.051 0.000 1.186 309 A CA 1.649 53.700 52.037 0.022 0.000 0.620 309 A CB -0.765 18.240 19.000 0.009 0.000 0.822 309 A HN 0.297 nan 8.150 nan 0.000 0.443 310 A N -0.255 122.611 122.820 0.078 0.000 2.032 310 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 310 A C 1.794 179.402 177.584 0.040 0.000 1.165 310 A CA 2.124 54.200 52.037 0.066 0.000 0.645 310 A CB -0.614 18.431 19.000 0.075 0.000 0.807 310 A HN 0.597 nan 8.150 nan 0.000 0.453 311 N N -0.754 117.968 118.700 0.037 0.000 2.235 311 N HA 0.033 4.773 4.740 -0.000 0.000 0.209 311 N C 0.019 175.544 175.510 0.025 0.000 1.122 311 N CA -0.161 52.905 53.050 0.027 0.000 0.845 311 N CB -0.426 38.077 38.487 0.026 0.000 1.004 311 N HN 0.492 nan 8.380 nan 0.000 0.499 312 N N 0.172 118.889 118.700 0.028 0.000 2.492 312 N HA -0.033 4.707 4.740 -0.000 0.000 0.262 312 N C 0.463 175.995 175.510 0.038 0.000 1.202 312 N CA 0.112 53.183 53.050 0.034 0.000 0.926 312 N CB 0.699 39.210 38.487 0.040 0.000 1.078 312 N HN 0.015 nan 8.380 nan 0.000 0.454 313 D N 0.943 121.372 120.400 0.048 0.000 2.092 313 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 313 D C 1.283 177.620 176.300 0.061 0.000 0.994 313 D CA 1.597 55.626 54.000 0.049 0.000 0.828 313 D CB -0.427 40.407 40.800 0.055 0.000 0.963 313 D HN 0.725 nan 8.370 nan 0.000 0.450 314 H N -0.076 118.994 119.070 0.001 0.000 2.256 314 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 314 H C 1.849 177.178 175.328 0.000 0.000 1.071 314 H CA 1.244 57.292 56.048 -0.001 0.000 1.280 314 H CB -0.561 29.198 29.762 -0.005 0.000 1.370 314 H HN -0.023 nan 8.280 nan 0.000 0.490 315 L N 0.786 121.977 121.223 -0.054 0.000 2.263 315 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 315 L C 2.364 179.175 176.870 -0.098 0.000 1.111 315 L CA 1.587 56.369 54.840 -0.096 0.000 0.773 315 L CB -0.445 41.617 42.059 0.004 0.000 0.906 315 L HN 0.285 nan 8.230 nan 0.000 0.439 316 K N -1.250 119.109 120.400 -0.067 0.000 2.044 316 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 316 K C 2.212 178.769 176.600 -0.071 0.000 1.049 316 K CA 0.978 57.236 56.287 -0.049 0.000 0.945 316 K CB -0.214 32.275 32.500 -0.019 0.000 0.724 316 K HN 0.284 nan 8.250 nan 0.000 0.440 317 A N 1.934 124.699 122.820 -0.090 0.000 1.873 317 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 317 A C 1.956 179.472 177.584 -0.114 0.000 1.193 317 A CA 1.557 53.541 52.037 -0.087 0.000 0.629 317 A CB -0.511 18.442 19.000 -0.078 0.000 0.826 317 A HN 0.245 nan 8.150 nan 0.000 0.447 318 R N 0.259 120.636 120.500 -0.205 0.000 2.323 318 R HA 0.037 4.377 4.340 -0.000 0.000 0.198 318 R C 0.677 176.911 176.300 -0.111 0.000 0.988 318 R CA 0.717 56.713 56.100 -0.174 0.000 1.041 318 R CB -0.405 29.731 30.300 -0.273 0.000 0.926 318 R HN 0.866 nan 8.270 nan 0.000 0.476 319 S N -0.711 114.932 115.700 -0.096 0.000 3.524 319 S HA -0.193 4.277 4.470 -0.000 0.000 0.377 319 S C 0.543 175.114 174.600 -0.048 0.000 0.949 319 S CA 0.982 59.146 58.200 -0.059 0.000 1.264 319 S CB -1.961 61.213 63.200 -0.044 0.000 0.918 319 S HN 0.343 nan 8.310 nan 0.000 0.517 320 T N 0.380 114.902 114.554 -0.052 0.000 2.814 320 T HA 0.174 4.524 4.350 -0.000 0.000 0.254 320 T C 1.067 175.765 174.700 -0.004 0.000 1.037 320 T CA 1.094 63.179 62.100 -0.026 0.000 1.143 320 T CB -0.126 68.729 68.868 -0.022 0.000 0.866 320 T HN 1.428 nan 8.240 nan 0.000 0.431 321 V N 2.631 122.547 119.914 0.003 0.000 2.304 321 V HA 0.658 4.778 4.120 -0.000 0.000 0.269 321 V C -0.264 175.833 176.094 0.004 0.000 1.036 321 V CA -1.404 60.907 62.300 0.019 0.000 0.840 321 V CB -0.380 31.470 31.823 0.046 0.000 1.036 321 V HN 0.445 nan 8.190 nan 0.000 0.466 322 I N 1.347 121.913 120.570 -0.005 0.000 2.863 322 I HA 0.749 4.919 4.170 -0.000 0.000 0.311 322 I C 0.001 176.108 176.117 -0.016 0.000 1.026 322 I CA -0.530 60.760 61.300 -0.017 0.000 1.077 322 I CB 2.458 40.438 38.000 -0.033 0.000 1.262 322 I HN 0.347 nan 8.210 nan 0.000 0.461 323 T N 3.987 118.529 114.554 -0.020 0.000 2.910 323 T HA 0.597 4.947 4.350 -0.000 0.000 0.323 323 T C 0.087 174.761 174.700 -0.044 0.000 1.091 323 T CA -0.385 61.706 62.100 -0.015 0.000 0.960 323 T CB 0.377 69.243 68.868 -0.003 0.000 1.024 323 T HN 0.737 nan 8.240 nan 0.000 0.509 324 A N 3.078 125.860 122.820 -0.064 0.000 2.310 324 A HA 0.538 4.858 4.320 -0.000 0.000 0.299 324 A C 0.279 177.829 177.584 -0.057 0.000 1.147 324 A CA -0.924 50.995 52.037 -0.196 0.000 0.818 324 A CB -0.234 18.593 19.000 -0.287 0.000 1.096 324 A HN 0.969 nan 8.150 nan 0.000 0.495 325 H N 0.247 119.316 119.070 -0.001 0.000 1.798 325 H HA 0.118 4.674 4.556 -0.000 0.000 0.300 325 H C 0.976 176.302 175.328 -0.002 0.000 0.686 325 H CA 0.857 56.904 56.048 -0.001 0.000 1.204 325 H CB -1.265 28.496 29.762 -0.001 0.000 1.383 325 H HN 1.919 nan 8.280 nan 0.000 0.311 326 G N 0.596 109.483 108.800 0.145 0.000 1.920 326 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.210 326 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.210 326 G C -0.420 174.514 174.900 0.057 0.000 1.302 326 G CA -0.047 45.104 45.100 0.086 0.000 1.333 326 G HN 0.872 nan 8.290 nan 0.000 0.452 327 V N 0.974 120.919 119.914 0.052 0.000 3.204 327 V HA 0.684 4.804 4.120 -0.000 0.000 0.316 327 V C 0.333 176.440 176.094 0.022 0.000 1.160 327 V CA -0.836 61.480 62.300 0.028 0.000 1.044 327 V CB 1.298 33.128 31.823 0.012 0.000 1.136 327 V HN 0.768 nan 8.190 nan 0.000 0.455 328 Q N 1.997 121.805 119.800 0.013 0.000 2.330 328 Q HA 0.415 4.755 4.340 -0.000 0.000 0.279 328 Q C -0.315 175.686 176.000 0.003 0.000 1.024 328 Q CA 0.036 55.846 55.803 0.012 0.000 0.900 328 Q CB 0.360 29.111 28.738 0.022 0.000 1.221 328 Q HN 0.772 nan 8.270 nan 0.000 0.396 329 Q N -0.260 119.542 119.800 0.004 0.000 2.814 329 Q HA 0.717 5.057 4.340 -0.000 0.000 0.322 329 Q C -1.859 174.144 176.000 0.005 0.000 0.861 329 Q CA -1.135 54.666 55.803 -0.003 0.000 0.773 329 Q CB 1.023 29.757 28.738 -0.006 0.000 1.423 329 Q HN 0.549 nan 8.270 nan 0.000 0.495 330 A N 0.611 123.432 122.820 0.002 0.000 2.274 330 A HA 0.749 5.069 4.320 -0.000 0.000 0.309 330 A C 0.008 177.592 177.584 -0.000 0.000 1.226 330 A CA 0.034 52.078 52.037 0.011 0.000 0.853 330 A CB 0.658 19.672 19.000 0.023 0.000 1.146 330 A HN 0.803 nan 8.150 nan 0.000 0.518 331 A N 4.175 126.994 122.820 -0.001 0.000 2.425 331 A HA 0.557 4.877 4.320 -0.000 0.000 0.242 331 A C -2.004 175.581 177.584 0.002 0.000 1.077 331 A CA -0.880 51.153 52.037 -0.006 0.000 0.781 331 A CB -0.755 18.239 19.000 -0.010 0.000 1.020 331 A HN 0.674 nan 8.150 nan 0.000 0.494 332 P HA 0.357 nan 4.420 nan 0.000 0.270 332 P C -0.384 176.937 177.300 0.035 0.000 1.221 332 P CA 0.783 63.896 63.100 0.021 0.000 0.788 332 P CB 0.492 32.214 31.700 0.036 0.000 0.904 333 A N 0.990 123.839 122.820 0.049 0.000 2.605 333 A HA 0.645 4.965 4.320 -0.000 0.000 0.294 333 A C -2.729 174.893 177.584 0.064 0.000 1.062 333 A CA -0.884 51.177 52.037 0.039 0.000 0.682 333 A CB 0.350 19.360 19.000 0.016 0.000 1.278 333 A HN 0.450 nan 8.150 nan 0.000 0.410 334 P HA 0.497 nan 4.420 nan 0.000 0.289 334 P C -0.975 176.213 177.300 -0.188 0.000 1.299 334 P CA -0.435 62.584 63.100 -0.136 0.000 0.766 334 P CB 0.569 32.114 31.700 -0.258 0.000 1.226 335 R N -0.110 120.246 120.500 -0.239 0.000 2.312 335 R HA 0.493 4.833 4.340 -0.000 0.000 0.311 335 R C -0.470 175.651 176.300 -0.299 0.000 1.004 335 R CA -0.345 55.672 56.100 -0.138 0.000 0.902 335 R CB 0.473 30.739 30.300 -0.056 0.000 1.073 335 R HN 0.378 nan 8.270 nan 0.000 0.457 336 F N 0.140 120.092 119.950 0.002 0.000 2.422 336 F HA 0.137 4.664 4.527 -0.000 0.000 0.333 336 F C 1.717 177.519 175.800 0.004 0.000 1.095 336 F CA -0.470 57.533 58.000 0.004 0.000 1.038 336 F CB 1.890 40.893 39.000 0.005 0.000 1.156 336 F HN 0.566 nan 8.300 nan 0.000 0.483 337 S N 1.287 117.078 115.700 0.153 0.000 2.446 337 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 337 S C 1.731 176.382 174.600 0.086 0.000 1.016 337 S CA 0.441 58.694 58.200 0.090 0.000 0.943 337 S CB -0.054 63.179 63.200 0.054 0.000 0.786 337 S HN 0.765 nan 8.310 nan 0.000 0.508 338 R N 1.305 121.867 120.500 0.104 0.000 2.250 338 R HA 0.097 4.437 4.340 -0.000 0.000 0.194 338 R C 0.115 176.446 176.300 0.052 0.000 0.927 338 R CA 1.255 57.395 56.100 0.066 0.000 1.052 338 R CB 0.482 30.815 30.300 0.055 0.000 1.055 338 R HN 0.528 nan 8.270 nan 0.000 0.537 339 T N 0.097 114.689 114.554 0.064 0.000 3.630 339 T HA 0.391 4.741 4.350 -0.000 0.000 0.238 339 T C -2.458 172.242 174.700 -0.001 0.000 1.195 339 T CA -1.736 60.362 62.100 -0.004 0.000 1.433 339 T CB 1.154 69.974 68.868 -0.080 0.000 0.940 339 T HN -0.001 nan 8.240 nan 0.000 0.641 340 P HA 0.322 nan 4.420 nan 0.000 0.272 340 P C -0.034 177.296 177.300 0.050 0.000 1.248 340 P CA -0.264 62.908 63.100 0.119 0.000 0.799 340 P CB 0.510 32.266 31.700 0.093 0.000 0.997 341 A N 0.574 123.442 122.820 0.080 0.000 2.331 341 A HA 0.556 4.876 4.320 -0.000 0.000 0.283 341 A C 0.929 178.526 177.584 0.022 0.000 1.142 341 A CA -0.036 52.023 52.037 0.037 0.000 0.812 341 A CB -0.347 18.689 19.000 0.061 0.000 1.074 341 A HN 0.620 nan 8.150 nan 0.000 0.497 342 G N 1.620 110.424 108.800 0.007 0.000 2.684 342 G HA2 0.479 4.439 3.960 -0.000 0.000 0.255 342 G HA3 0.479 4.439 3.960 -0.000 0.000 0.255 342 G C -1.995 172.907 174.900 0.004 0.000 1.219 342 G CA -0.879 44.224 45.100 0.006 0.000 0.901 342 G HN 0.684 nan 8.290 nan 0.000 0.548 343 P HA 0.148 nan 4.420 nan 0.000 0.269 343 P C 0.247 177.539 177.300 -0.013 0.000 1.209 343 P CA -0.177 62.911 63.100 -0.020 0.000 0.776 343 P CB 0.917 32.600 31.700 -0.029 0.000 0.876 344 V N 1.113 121.005 119.914 -0.037 0.000 2.529 344 V HA 0.226 4.346 4.120 -0.000 0.000 0.292 344 V C 0.788 176.926 176.094 0.073 0.000 1.028 344 V CA -0.363 61.934 62.300 -0.004 0.000 1.074 344 V CB -0.598 31.211 31.823 -0.023 0.000 0.958 344 V HN 0.407 nan 8.190 nan 0.000 0.481 345 R N 5.733 126.322 120.500 0.149 0.000 2.543 345 R HA 0.522 4.862 4.340 -0.000 0.000 0.268 345 R C -2.261 174.195 176.300 0.260 0.000 1.067 345 R CA -1.645 54.611 56.100 0.260 0.000 1.142 345 R CB 1.008 31.375 30.300 0.111 0.000 1.110 345 R HN 0.640 nan 8.270 nan 0.000 0.549 346 P HA 0.273 nan 4.420 nan 0.000 0.280 346 P C -2.670 174.606 177.300 -0.041 0.000 1.272 346 P CA -1.886 61.141 63.100 -0.122 0.000 0.819 346 P CB 0.428 31.785 31.700 -0.572 0.000 1.122 347 P HA 0.199 nan 4.420 nan 0.000 0.270 347 P C -2.314 174.974 177.300 -0.019 0.000 1.223 347 P CA -1.100 62.010 63.100 0.017 0.000 0.785 347 P CB -1.422 30.303 31.700 0.041 0.000 0.923 348 P HA -0.043 nan 4.420 nan 0.000 0.257 348 P C 0.374 177.649 177.300 -0.042 0.000 1.189 348 P CA 0.735 63.810 63.100 -0.041 0.000 0.780 348 P CB -0.094 31.569 31.700 -0.061 0.000 0.772 349 A N 3.759 126.549 122.820 -0.049 0.000 2.015 349 A HA 0.264 4.584 4.320 -0.000 0.000 0.219 349 A C 1.001 178.561 177.584 -0.039 0.000 1.163 349 A CA 1.734 53.743 52.037 -0.046 0.000 0.646 349 A CB -0.312 18.657 19.000 -0.052 0.000 0.806 349 A HN 0.575 nan 8.150 nan 0.000 0.448 350 A N -2.430 120.364 122.820 -0.043 0.000 2.605 350 A HA 0.647 4.967 4.320 -0.000 0.000 0.294 350 A C -0.196 177.358 177.584 -0.049 0.000 1.062 350 A CA -0.144 51.869 52.037 -0.041 0.000 0.682 350 A CB -0.037 18.941 19.000 -0.036 0.000 1.278 350 A HN 1.495 nan 8.150 nan 0.000 0.410 351 A N 1.079 123.870 122.820 -0.049 0.000 2.520 351 A HA 0.545 4.865 4.320 -0.000 0.000 0.245 351 A C 0.827 178.375 177.584 -0.058 0.000 1.072 351 A CA 0.848 52.850 52.037 -0.058 0.000 0.761 351 A CB -0.483 18.486 19.000 -0.052 0.000 1.004 351 A HN 2.072 nan 8.150 nan 0.000 0.499 352 T N 2.259 116.771 114.554 -0.070 0.000 2.856 352 T HA 0.504 4.854 4.350 -0.000 0.000 0.292 352 T C -1.625 173.027 174.700 -0.079 0.000 0.980 352 T CA -1.437 60.618 62.100 -0.075 0.000 1.091 352 T CB 0.905 69.719 68.868 -0.091 0.000 0.936 352 T HN 0.413 nan 8.240 nan 0.000 0.503 353 P HA -0.112 nan 4.420 nan 0.000 0.225 353 P C 1.032 178.283 177.300 -0.082 0.000 0.928 353 P CA 1.225 64.285 63.100 -0.067 0.000 1.055 353 P CB 0.111 31.774 31.700 -0.062 0.000 0.635 354 I N -5.805 114.709 120.570 -0.095 0.000 5.332 354 I HA -0.032 4.138 4.170 -0.000 0.000 0.359 354 I C 0.352 176.398 176.117 -0.118 0.000 0.818 354 I CA 0.372 61.605 61.300 -0.112 0.000 1.686 354 I CB -0.364 37.589 38.000 -0.080 0.000 2.801 354 I HN -0.130 nan 8.210 nan 0.000 0.907 355 D N 1.673 122.021 120.400 -0.088 0.000 2.340 355 D HA 0.041 4.681 4.640 -0.000 0.000 0.220 355 D C 0.872 177.120 176.300 -0.087 0.000 1.039 355 D CA 0.713 54.667 54.000 -0.077 0.000 0.866 355 D CB 0.329 41.099 40.800 -0.050 0.000 0.913 355 D HN 0.469 nan 8.370 nan 0.000 0.523 356 E N 0.304 120.442 120.200 -0.104 0.000 2.394 356 E HA 0.098 4.448 4.350 -0.000 0.000 0.191 356 E C 1.480 177.989 176.600 -0.151 0.000 1.044 356 E CA -0.213 56.126 56.400 -0.101 0.000 0.939 356 E CB 0.290 29.941 29.700 -0.083 0.000 1.089 356 E HN 0.514 nan 8.360 nan 0.000 0.456 357 I N -0.286 120.154 120.570 -0.217 0.000 2.373 357 I HA -0.184 3.986 4.170 -0.000 0.000 0.150 357 I C 1.552 177.476 176.117 -0.322 0.000 0.990 357 I CA 1.584 62.654 61.300 -0.384 0.000 1.320 357 I CB -0.280 37.408 38.000 -0.520 0.000 1.102 357 I HN 0.144 nan 8.210 nan 0.000 0.423 358 N N -3.764 114.770 118.700 -0.277 0.000 2.459 358 N HA -0.048 4.692 4.740 -0.000 0.000 0.334 358 N C -0.446 175.181 175.510 0.195 0.000 1.428 358 N CA -0.075 52.959 53.050 -0.027 0.000 2.732 358 N CB -0.120 38.400 38.487 0.055 0.000 1.877 358 N HN 0.566 nan 8.380 nan 0.000 1.133 359 W N 0.000 121.295 121.300 -0.009 0.000 2.388 359 W HA 0.000 4.660 4.660 0.000 0.000 0.303 359 W CA 0.000 57.340 57.345 -0.007 0.000 1.226 359 W CB 0.000 29.455 29.460 -0.008 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535