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 2eba_1_G DATA FIRST_RESID 1 DATA SEQUENCE MLDFYALEDL LTPEEKEVQK AARRFLEKEA LPHIRDWWEE GVFPTHLIPR DATA SEQUENCE FAELGFLGPT LPPEYGGAGV SSAAYGLICY ELERVDSGLR SFVSVQSSLV DATA SEQUENCE MYPIYAYGSE EQKREFLPKL ARGEMVGCFG LTEPDGGSDP YGNMKTRARR DATA SEQUENCE XXDTWVLNGT KMWITNGNLA HLAVIWAKDX XXEVLGFLVP TDTPGFQARE DATA SEQUENCE VKRKMSLRAS VTSELVLEEV RVPESLRLPK ALGLKAPLSC LTQARFGIAW DATA SEQUENCE GAMGALEAVY EEAVAFAKSR STFGEPLAKK QLVQAKLAEM LAWHTEGLLL DATA SEQUENCE AWRLARLKDE GKLTPAQVSL AKRQNVWKAL QAARMARDIL GGSGITLEYH DATA SEQUENCE AIRHMLNLET VYTYEGTHDV HTLVLGREIT GLNAF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.381 176.300 0.135 0.000 1.140 1 M CA 0.000 55.389 55.300 0.149 0.000 0.988 1 M CB 0.000 32.667 32.600 0.113 0.000 1.302 2 L N 2.242 123.560 121.223 0.159 0.000 2.410 2 L HA 0.562 4.902 4.340 -0.001 0.000 0.273 2 L C -0.949 176.016 176.870 0.158 0.000 1.144 2 L CA 1.334 56.212 54.840 0.064 0.000 0.863 2 L CB 0.334 42.271 42.059 -0.203 0.000 1.140 2 L HN 0.737 nan 8.230 nan 0.000 0.463 3 D N 3.510 124.002 120.400 0.154 0.000 2.826 3 D HA 0.022 4.661 4.640 -0.001 0.000 0.239 3 D C 0.235 176.669 176.300 0.222 0.000 1.329 3 D CA -0.368 53.744 54.000 0.186 0.000 0.854 3 D CB -0.180 40.687 40.800 0.112 0.000 1.494 3 D HN 0.397 nan 8.370 nan 0.000 0.540 4 F N 1.778 121.780 119.950 0.086 0.000 2.216 4 F HA -0.019 4.508 4.527 -0.001 0.000 0.300 4 F C 0.626 176.589 175.800 0.273 0.000 1.085 4 F CA 1.279 59.353 58.000 0.124 0.000 1.326 4 F CB 0.084 39.125 39.000 0.069 0.000 1.027 4 F HN 0.327 nan 8.300 nan 0.000 0.497 5 Y N 0.577 120.830 120.300 -0.078 0.000 2.625 5 Y HA 0.534 5.083 4.550 -0.001 0.000 0.285 5 Y C 1.197 176.997 175.900 -0.168 0.000 1.168 5 Y CA -0.786 57.191 58.100 -0.204 0.000 1.250 5 Y CB -0.945 37.431 38.460 -0.139 0.000 1.130 5 Y HN 0.122 nan 8.280 nan 0.000 0.526 6 A N 0.224 123.050 122.820 0.010 0.000 2.511 6 A HA -0.226 4.094 4.320 -0.001 0.000 0.297 6 A C 1.262 178.806 177.584 -0.068 0.000 1.476 6 A CA 0.657 52.673 52.037 -0.034 0.000 0.757 6 A CB -1.728 17.225 19.000 -0.078 0.000 1.072 6 A HN 0.446 nan 8.150 nan 0.000 0.413 7 L N -0.957 120.231 121.223 -0.059 0.000 2.376 7 L HA -0.099 4.240 4.340 -0.001 0.000 0.219 7 L C 2.219 179.027 176.870 -0.103 0.000 1.133 7 L CA 2.007 56.760 54.840 -0.146 0.000 0.816 7 L CB -0.628 41.347 42.059 -0.139 0.000 0.933 7 L HN 0.808 nan 8.230 nan 0.000 0.449 8 E N 0.299 120.476 120.200 -0.038 0.000 2.209 8 E HA -0.242 4.108 4.350 -0.001 0.000 0.196 8 E C 1.427 178.017 176.600 -0.016 0.000 0.993 8 E CA 1.166 57.562 56.400 -0.007 0.000 0.819 8 E CB 0.161 29.864 29.700 0.006 0.000 0.745 8 E HN 0.330 nan 8.360 nan 0.000 0.477 9 D N -0.492 119.878 120.400 -0.049 0.000 2.263 9 D HA -0.112 4.528 4.640 -0.001 0.000 0.208 9 D C 1.095 177.367 176.300 -0.048 0.000 0.971 9 D CA 0.737 54.708 54.000 -0.050 0.000 0.867 9 D CB 0.098 40.852 40.800 -0.076 0.000 0.929 9 D HN 0.283 nan 8.370 nan 0.000 0.492 10 L N -0.091 121.081 121.223 -0.085 0.000 2.628 10 L HA 0.206 4.546 4.340 -0.001 0.000 0.229 10 L C 0.358 177.304 176.870 0.126 0.000 1.137 10 L CA -0.053 54.759 54.840 -0.046 0.000 0.909 10 L CB 0.073 41.912 42.059 -0.367 0.000 1.137 10 L HN -0.144 nan 8.230 nan 0.000 0.470 11 L N -0.261 121.019 121.223 0.094 0.000 2.331 11 L HA 0.404 4.743 4.340 -0.001 0.000 0.275 11 L C 0.766 177.691 176.870 0.092 0.000 1.022 11 L CA -0.623 54.295 54.840 0.130 0.000 0.812 11 L CB 1.777 43.900 42.059 0.107 0.000 1.257 11 L HN 0.065 nan 8.230 nan 0.000 0.435 12 T N -1.711 112.899 114.554 0.093 0.000 2.828 12 T HA 0.211 4.560 4.350 -0.001 0.000 0.290 12 T C -1.979 172.753 174.700 0.054 0.000 1.019 12 T CA -1.478 60.663 62.100 0.068 0.000 1.031 12 T CB 1.157 70.064 68.868 0.065 0.000 1.001 12 T HN 0.337 nan 8.240 nan 0.000 0.531 13 P HA -0.089 nan 4.420 nan 0.000 0.216 13 P C 1.601 178.925 177.300 0.041 0.000 1.150 13 P CA 0.849 63.973 63.100 0.040 0.000 0.837 13 P CB 0.086 31.807 31.700 0.034 0.000 0.786 14 E N 0.172 120.396 120.200 0.041 0.000 2.038 14 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 14 E C 1.840 178.465 176.600 0.042 0.000 1.000 14 E CA 1.436 57.860 56.400 0.040 0.000 0.803 14 E CB -0.222 29.501 29.700 0.037 0.000 0.750 14 E HN 0.334 nan 8.360 nan 0.000 0.448 15 E N 0.312 120.537 120.200 0.042 0.000 2.077 15 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 15 E C 2.168 178.786 176.600 0.031 0.000 0.989 15 E CA 0.962 57.381 56.400 0.032 0.000 0.800 15 E CB -0.034 29.691 29.700 0.042 0.000 0.746 15 E HN 0.161 nan 8.360 nan 0.000 0.452 16 K N 0.520 120.945 120.400 0.041 0.000 2.211 16 K HA -0.147 4.173 4.320 -0.001 0.000 0.203 16 K C 1.978 178.608 176.600 0.050 0.000 1.050 16 K CA 0.888 57.200 56.287 0.042 0.000 0.945 16 K CB 0.061 32.586 32.500 0.042 0.000 0.732 16 K HN -0.038 nan 8.250 nan 0.000 0.451 17 E N 0.394 120.626 120.200 0.053 0.000 2.046 17 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 17 E C 1.907 178.556 176.600 0.081 0.000 0.982 17 E CA 0.918 57.355 56.400 0.062 0.000 0.800 17 E CB -0.096 29.637 29.700 0.055 0.000 0.756 17 E HN 0.182 nan 8.360 nan 0.000 0.449 18 V N -0.146 119.815 119.914 0.078 0.000 2.469 18 V HA -0.235 3.884 4.120 -0.001 0.000 0.251 18 V C 2.188 178.353 176.094 0.120 0.000 1.064 18 V CA 2.116 64.482 62.300 0.109 0.000 1.066 18 V CB -0.481 31.395 31.823 0.087 0.000 0.667 18 V HN 0.217 nan 8.190 nan 0.000 0.461 19 Q N 0.266 120.112 119.800 0.078 0.000 2.083 19 Q HA -0.164 4.175 4.340 -0.001 0.000 0.198 19 Q C 2.298 178.370 176.000 0.120 0.000 0.969 19 Q CA 1.567 57.418 55.803 0.080 0.000 0.838 19 Q CB -0.081 28.680 28.738 0.039 0.000 0.900 19 Q HN 0.637 nan 8.270 nan 0.000 0.436 20 K N 0.485 120.949 120.400 0.107 0.000 2.026 20 K HA -0.066 4.253 4.320 -0.001 0.000 0.208 20 K C 2.086 178.773 176.600 0.145 0.000 1.048 20 K CA 1.194 57.548 56.287 0.112 0.000 0.929 20 K CB -0.607 31.946 32.500 0.089 0.000 0.713 20 K HN 0.239 nan 8.250 nan 0.000 0.439 21 A N 1.744 124.656 122.820 0.155 0.000 1.902 21 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 21 A C 2.481 180.237 177.584 0.287 0.000 1.181 21 A CA 2.213 54.361 52.037 0.186 0.000 0.623 21 A CB -0.716 18.377 19.000 0.155 0.000 0.818 21 A HN 0.316 nan 8.150 nan 0.000 0.443 22 A N -0.245 122.780 122.820 0.342 0.000 1.883 22 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 22 A C 2.275 180.104 177.584 0.408 0.000 1.186 22 A CA 2.007 54.353 52.037 0.515 0.000 0.624 22 A CB -0.532 18.690 19.000 0.370 0.000 0.822 22 A HN 0.575 nan 8.150 nan 0.000 0.444 23 R N -0.610 120.047 120.500 0.262 0.000 2.075 23 R HA -0.093 4.247 4.340 -0.001 0.000 0.232 23 R C 2.422 178.827 176.300 0.175 0.000 1.126 23 R CA 1.368 57.584 56.100 0.193 0.000 0.963 23 R CB -0.235 30.159 30.300 0.156 0.000 0.858 23 R HN 0.532 nan 8.270 nan 0.000 0.435 24 R N -0.402 120.214 120.500 0.192 0.000 2.073 24 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 24 R C 2.229 178.654 176.300 0.210 0.000 1.134 24 R CA 1.733 57.935 56.100 0.169 0.000 0.952 24 R CB -0.608 29.787 30.300 0.158 0.000 0.850 24 R HN 0.240 nan 8.270 nan 0.000 0.433 25 F N 1.889 121.921 119.950 0.137 0.000 2.046 25 F HA -0.188 4.338 4.527 -0.001 0.000 0.297 25 F C 1.915 177.818 175.800 0.173 0.000 1.123 25 F CA 1.518 59.603 58.000 0.142 0.000 1.199 25 F CB -0.695 38.393 39.000 0.147 0.000 0.972 25 F HN -0.122 nan 8.300 nan 0.000 0.474 26 L N 0.067 121.134 121.223 -0.260 0.000 2.079 26 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 26 L C 2.490 179.277 176.870 -0.138 0.000 1.081 26 L CA 1.860 56.507 54.840 -0.322 0.000 0.752 26 L CB -0.872 41.175 42.059 -0.021 0.000 0.896 26 L HN 0.213 nan 8.230 nan 0.000 0.433 27 E N 0.423 120.602 120.200 -0.035 0.000 2.110 27 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 27 E C 2.113 178.695 176.600 -0.030 0.000 0.988 27 E CA 1.496 57.887 56.400 -0.015 0.000 0.804 27 E CB 0.121 29.836 29.700 0.025 0.000 0.745 27 E HN 0.352 nan 8.360 nan 0.000 0.458 28 K N 0.087 120.477 120.400 -0.017 0.000 2.128 28 K HA 0.001 4.321 4.320 -0.001 0.000 0.202 28 K C 1.415 178.026 176.600 0.019 0.000 1.050 28 K CA 1.234 57.527 56.287 0.010 0.000 0.966 28 K CB 0.200 32.738 32.500 0.063 0.000 0.759 28 K HN -0.005 nan 8.250 nan 0.000 0.454 29 E N -0.836 119.346 120.200 -0.031 0.000 2.474 29 E HA 0.141 4.491 4.350 -0.001 0.000 0.195 29 E C 0.830 177.508 176.600 0.131 0.000 1.039 29 E CA 0.354 56.790 56.400 0.060 0.000 0.881 29 E CB 1.102 30.827 29.700 0.043 0.000 0.970 29 E HN 0.440 nan 8.360 nan 0.000 0.486 30 A N 0.367 123.197 122.820 0.016 0.000 1.917 30 A HA 0.092 4.412 4.320 -0.001 0.000 0.200 30 A C 1.706 179.269 177.584 -0.036 0.000 1.671 30 A CA -0.211 51.895 52.037 0.115 0.000 1.034 30 A CB -0.285 18.785 19.000 0.117 0.000 1.057 30 A HN 0.144 nan 8.150 nan 0.000 0.507 31 L N 1.180 122.359 121.223 -0.072 0.000 2.043 31 L HA -0.038 4.302 4.340 -0.001 0.000 0.212 31 L C -1.001 175.749 176.870 -0.201 0.000 1.075 31 L CA 2.577 57.352 54.840 -0.109 0.000 0.752 31 L CB -1.166 40.843 42.059 -0.083 0.000 0.891 31 L HN 0.182 nan 8.230 nan 0.000 0.432 32 P HA -0.135 nan 4.420 nan 0.000 0.221 32 P C 0.731 177.574 177.300 -0.762 0.000 1.145 32 P CA 1.577 64.364 63.100 -0.520 0.000 0.795 32 P CB -0.101 31.221 31.700 -0.631 0.000 0.775 33 H N -3.076 115.676 119.070 -0.530 0.000 3.058 33 H HA 0.190 4.745 4.556 -0.001 0.000 0.258 33 H C 1.741 176.499 175.328 -0.949 0.000 1.015 33 H CA -0.332 55.165 56.048 -0.920 0.000 1.210 33 H CB -0.191 28.574 29.762 -1.662 0.000 1.481 33 H HN 0.030 nan 8.280 nan 0.000 0.492 34 I N 2.333 122.631 120.570 -0.452 0.000 2.236 34 I HA -0.289 3.881 4.170 -0.001 0.000 0.249 34 I C 2.666 178.820 176.117 0.062 0.000 1.102 34 I CA 1.375 62.643 61.300 -0.055 0.000 1.365 34 I CB -0.324 37.696 38.000 0.033 0.000 1.051 34 I HN 0.058 nan 8.210 nan 0.000 0.420 35 R N 0.235 120.726 120.500 -0.016 0.000 2.080 35 R HA -0.192 4.148 4.340 -0.001 0.000 0.236 35 R C 1.942 178.308 176.300 0.109 0.000 1.137 35 R CA 2.169 58.296 56.100 0.045 0.000 0.943 35 R CB -0.426 29.850 30.300 -0.040 0.000 0.846 35 R HN 0.421 nan 8.270 nan 0.000 0.431 36 D N -0.563 119.841 120.400 0.007 0.000 2.117 36 D HA -0.195 4.444 4.640 -0.001 0.000 0.198 36 D C 1.847 178.286 176.300 0.231 0.000 0.982 36 D CA 0.903 54.946 54.000 0.072 0.000 0.828 36 D CB -0.385 40.412 40.800 -0.005 0.000 0.967 36 D HN 0.347 nan 8.370 nan 0.000 0.464 37 W N 0.379 121.770 121.300 0.153 0.000 2.358 37 W HA -0.111 4.548 4.660 -0.001 0.000 0.303 37 W C 2.325 178.948 176.519 0.174 0.000 1.208 37 W CA -0.223 57.202 57.345 0.132 0.000 1.274 37 W CB -1.511 28.016 29.460 0.111 0.000 1.138 37 W HN 0.160 nan 8.180 nan 0.000 0.515 38 W N 1.094 122.556 121.300 0.271 0.000 2.381 38 W HA -0.125 4.535 4.660 -0.001 0.000 0.301 38 W C 2.421 179.022 176.519 0.135 0.000 1.205 38 W CA 2.140 59.593 57.345 0.179 0.000 1.285 38 W CB -0.430 29.104 29.460 0.123 0.000 1.133 38 W HN -0.096 nan 8.180 nan 0.000 0.521 39 E N 0.057 120.480 120.200 0.372 0.000 2.023 39 E HA -0.282 4.067 4.350 -0.001 0.000 0.196 39 E C 1.818 178.465 176.600 0.077 0.000 1.003 39 E CA 2.078 58.610 56.400 0.220 0.000 0.809 39 E CB -0.286 29.529 29.700 0.190 0.000 0.755 39 E HN 0.433 nan 8.360 nan 0.000 0.449 40 E N -0.742 119.525 120.200 0.112 0.000 2.409 40 E HA -0.021 4.328 4.350 -0.001 0.000 0.198 40 E C 0.901 177.517 176.600 0.028 0.000 1.024 40 E CA 0.381 56.828 56.400 0.079 0.000 0.861 40 E CB -0.005 29.773 29.700 0.130 0.000 0.788 40 E HN 0.387 nan 8.360 nan 0.000 0.521 41 G N 1.714 110.502 108.800 -0.019 0.000 2.298 41 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.287 41 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.287 41 G C -0.242 174.666 174.900 0.013 0.000 1.075 41 G CA 0.462 45.510 45.100 -0.088 0.000 0.960 41 G HN 0.275 nan 8.290 nan 0.000 0.502 42 V N -0.298 119.662 119.914 0.075 0.000 2.914 42 V HA 0.874 4.994 4.120 -0.001 0.000 0.314 42 V C -0.496 175.634 176.094 0.059 0.000 1.084 42 V CA -1.515 60.824 62.300 0.064 0.000 0.963 42 V CB 2.009 33.847 31.823 0.025 0.000 1.025 42 V HN 0.720 nan 8.190 nan 0.000 0.432 43 F N 7.736 127.640 119.950 -0.077 0.000 2.420 43 F HA 0.727 5.253 4.527 -0.001 0.000 0.342 43 F C -1.965 173.647 175.800 -0.313 0.000 1.113 43 F CA -2.408 55.520 58.000 -0.121 0.000 1.059 43 F CB 2.010 40.996 39.000 -0.023 0.000 1.128 43 F HN 0.389 nan 8.300 nan 0.000 0.475 44 P HA 0.057 nan 4.420 nan 0.000 0.260 44 P C 0.666 177.467 177.300 -0.832 0.000 1.651 44 P CA 0.043 62.442 63.100 -1.169 0.000 1.139 44 P CB 0.173 30.739 31.700 -1.891 0.000 1.756 45 T N 0.154 114.526 114.554 -0.303 0.000 2.759 45 T HA -0.267 4.083 4.350 -0.001 0.000 0.269 45 T C 1.642 176.196 174.700 -0.244 0.000 1.042 45 T CA 1.790 63.807 62.100 -0.139 0.000 1.140 45 T CB -1.518 67.352 68.868 0.004 0.000 0.864 45 T HN 0.515 nan 8.240 nan 0.000 0.455 46 H N 0.260 119.161 119.070 -0.283 0.000 2.518 46 H HA 0.113 4.669 4.556 -0.001 0.000 0.292 46 H C 1.864 177.022 175.328 -0.283 0.000 1.068 46 H CA 0.715 56.629 56.048 -0.223 0.000 1.275 46 H CB -0.451 29.203 29.762 -0.181 0.000 1.375 46 H HN 0.253 nan 8.280 nan 0.000 0.563 47 L N 0.494 121.088 121.223 -1.047 0.000 2.418 47 L HA 0.095 4.434 4.340 -0.001 0.000 0.218 47 L C 2.071 178.284 176.870 -1.095 0.000 1.125 47 L CA 0.674 54.876 54.840 -1.063 0.000 0.835 47 L CB -0.441 40.889 42.059 -1.215 0.000 0.953 47 L HN 0.446 nan 8.230 nan 0.000 0.454 48 I N 0.323 120.450 120.570 -0.738 0.000 2.163 48 I HA -0.246 3.923 4.170 -0.001 0.000 0.243 48 I C -0.383 175.630 176.117 -0.174 0.000 1.085 48 I CA 1.361 62.399 61.300 -0.436 0.000 1.347 48 I CB -1.307 36.548 38.000 -0.241 0.000 1.044 48 I HN 0.218 nan 8.210 nan 0.000 0.408 49 P HA -0.089 nan 4.420 nan 0.000 0.221 49 P C 1.434 178.663 177.300 -0.119 0.000 1.150 49 P CA 1.010 64.065 63.100 -0.074 0.000 0.800 49 P CB -0.014 31.652 31.700 -0.058 0.000 0.787 50 R N -1.267 119.101 120.500 -0.219 0.000 2.066 50 R HA -0.008 4.332 4.340 -0.001 0.000 0.232 50 R C 2.111 178.226 176.300 -0.308 0.000 1.131 50 R CA 1.187 57.126 56.100 -0.269 0.000 0.955 50 R CB -1.542 28.654 30.300 -0.175 0.000 0.851 50 R HN 0.235 nan 8.270 nan 0.000 0.432 51 F N 1.177 121.002 119.950 -0.208 0.000 2.095 51 F HA -0.112 4.414 4.527 -0.001 0.000 0.298 51 F C 2.589 178.261 175.800 -0.213 0.000 1.104 51 F CA 0.651 58.509 58.000 -0.237 0.000 1.232 51 F CB -1.443 37.687 39.000 0.218 0.000 0.987 51 F HN 0.056 nan 8.300 nan 0.000 0.475 52 A N -0.052 122.852 122.820 0.140 0.000 1.892 52 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 52 A C 2.164 179.734 177.584 -0.023 0.000 1.188 52 A CA 2.034 54.126 52.037 0.092 0.000 0.631 52 A CB -1.022 18.032 19.000 0.090 0.000 0.822 52 A HN 0.412 nan 8.150 nan 0.000 0.447 53 E N -0.929 119.207 120.200 -0.106 0.000 2.153 53 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 53 E C 1.461 177.939 176.600 -0.203 0.000 0.988 53 E CA 1.025 57.340 56.400 -0.142 0.000 0.811 53 E CB -0.152 29.448 29.700 -0.166 0.000 0.746 53 E HN 0.513 nan 8.360 nan 0.000 0.466 54 L N -1.123 119.881 121.223 -0.366 0.000 2.558 54 L HA 0.185 4.525 4.340 -0.001 0.000 0.225 54 L C 1.328 178.104 176.870 -0.157 0.000 1.128 54 L CA 0.817 55.403 54.840 -0.423 0.000 0.868 54 L CB 0.333 41.798 42.059 -0.990 0.000 1.006 54 L HN 0.217 nan 8.230 nan 0.000 0.454 55 G N -1.775 106.994 108.800 -0.052 0.000 2.137 55 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.237 55 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.237 55 G C 0.728 175.814 174.900 0.310 0.000 1.002 55 G CA 0.116 45.283 45.100 0.111 0.000 0.702 55 G HN 0.141 nan 8.290 nan 0.000 0.515 56 F N -0.419 119.583 119.950 0.087 0.000 2.325 56 F HA 0.275 4.801 4.527 -0.001 0.000 0.299 56 F C 1.598 177.460 175.800 0.103 0.000 1.090 56 F CA -0.224 57.833 58.000 0.095 0.000 1.392 56 F CB -0.263 38.779 39.000 0.071 0.000 1.053 56 F HN 0.115 nan 8.300 nan 0.000 0.521 57 L N 0.294 121.706 121.223 0.314 0.000 2.363 57 L HA 0.382 4.721 4.340 -0.001 0.000 0.286 57 L C 1.069 177.986 176.870 0.080 0.000 1.106 57 L CA -0.400 54.562 54.840 0.204 0.000 0.859 57 L CB -0.215 41.985 42.059 0.236 0.000 1.223 57 L HN 0.356 nan 8.230 nan 0.000 0.446 58 G N 4.573 113.361 108.800 -0.020 0.000 2.298 58 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.287 58 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.287 58 G C -1.067 173.761 174.900 -0.120 0.000 1.075 58 G CA 0.029 45.060 45.100 -0.116 0.000 0.960 58 G HN 0.532 nan 8.290 nan 0.000 0.502 59 P HA -0.205 nan 4.420 nan 0.000 0.216 59 P C 1.998 179.242 177.300 -0.094 0.000 1.153 59 P CA 2.356 65.422 63.100 -0.056 0.000 0.858 59 P CB -0.271 31.433 31.700 0.007 0.000 0.789 60 T N -3.313 111.132 114.554 -0.182 0.000 3.085 60 T HA 0.078 4.428 4.350 -0.001 0.000 0.263 60 T C 1.152 175.749 174.700 -0.171 0.000 1.127 60 T CA -0.038 61.974 62.100 -0.147 0.000 1.103 60 T CB -0.852 67.921 68.868 -0.158 0.000 0.921 60 T HN -0.054 nan 8.240 nan 0.000 0.510 61 L N 1.703 122.795 121.223 -0.218 0.000 2.467 61 L HA 0.294 4.633 4.340 -0.001 0.000 0.270 61 L C -2.235 174.535 176.870 -0.166 0.000 1.205 61 L CA -2.220 52.437 54.840 -0.304 0.000 0.828 61 L CB -0.083 41.778 42.059 -0.329 0.000 1.101 61 L HN -0.023 nan 8.230 nan 0.000 0.479 62 P HA 0.050 nan 4.420 nan 0.000 0.267 62 P C -2.064 175.233 177.300 -0.004 0.000 1.205 62 P CA -0.901 62.188 63.100 -0.018 0.000 0.765 62 P CB 0.271 32.023 31.700 0.087 0.000 0.828 63 P HA -0.235 nan 4.420 nan 0.000 0.218 63 P C 1.316 178.585 177.300 -0.051 0.000 1.146 63 P CA 1.326 64.411 63.100 -0.024 0.000 0.813 63 P CB -0.238 31.447 31.700 -0.025 0.000 0.778 64 E N -1.253 118.877 120.200 -0.116 0.000 2.347 64 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 64 E C 0.656 177.080 176.600 -0.294 0.000 1.008 64 E CA 1.123 57.386 56.400 -0.229 0.000 0.852 64 E CB -0.663 28.835 29.700 -0.337 0.000 0.783 64 E HN 0.304 nan 8.360 nan 0.000 0.505 65 Y N 0.187 120.498 120.300 0.018 0.000 2.468 65 Y HA 0.338 4.888 4.550 -0.001 0.000 0.268 65 Y C 1.528 177.436 175.900 0.013 0.000 1.177 65 Y CA 0.336 58.453 58.100 0.029 0.000 1.265 65 Y CB 1.026 39.523 38.460 0.062 0.000 1.103 65 Y HN 0.263 nan 8.280 nan 0.000 0.522 66 G N -0.605 108.248 108.800 0.089 0.000 2.144 66 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 66 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 66 G C 0.614 175.543 174.900 0.048 0.000 0.988 66 G CA -0.185 44.952 45.100 0.062 0.000 0.659 66 G HN 0.703 nan 8.290 nan 0.000 0.522 67 G N -1.008 107.813 108.800 0.035 0.000 2.504 67 G HA2 0.701 4.660 3.960 -0.001 0.000 0.288 67 G HA3 0.701 4.660 3.960 -0.001 0.000 0.288 67 G C 1.091 175.990 174.900 -0.002 0.000 1.182 67 G CA 0.372 45.473 45.100 0.002 0.000 0.894 67 G HN 1.231 nan 8.290 nan 0.000 0.521 68 A N -0.484 122.335 122.820 -0.002 0.000 2.169 68 A HA 0.406 4.725 4.320 -0.001 0.000 0.212 68 A C 2.121 179.703 177.584 -0.004 0.000 1.153 68 A CA 1.353 53.395 52.037 0.009 0.000 0.756 68 A CB -0.646 18.375 19.000 0.035 0.000 0.813 68 A HN 2.330 nan 8.150 nan 0.000 0.471 69 G N -0.186 108.598 108.800 -0.027 0.000 2.321 69 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.287 69 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.287 69 G C 0.506 175.396 174.900 -0.016 0.000 1.018 69 G CA 0.890 45.972 45.100 -0.030 0.000 0.855 69 G HN 1.664 nan 8.290 nan 0.000 0.507 70 V N -2.320 117.589 119.914 -0.010 0.000 3.369 70 V HA 0.900 5.019 4.120 -0.001 0.000 0.309 70 V C 1.162 177.257 176.094 0.000 0.000 1.069 70 V CA 0.056 62.359 62.300 0.006 0.000 1.042 70 V CB 1.172 33.010 31.823 0.025 0.000 1.192 70 V HN 1.288 nan 8.190 nan 0.000 0.447 71 S N 0.407 116.114 115.700 0.012 0.000 2.617 71 S HA 0.192 4.662 4.470 -0.001 0.000 0.259 71 S C 1.108 175.728 174.600 0.033 0.000 1.301 71 S CA 0.342 58.550 58.200 0.013 0.000 0.984 71 S CB 0.739 63.954 63.200 0.025 0.000 0.954 71 S HN 0.880 nan 8.310 nan 0.000 0.572 72 S N 0.617 116.338 115.700 0.034 0.000 2.387 72 S HA 0.050 4.520 4.470 -0.001 0.000 0.226 72 S C 2.274 176.994 174.600 0.200 0.000 1.026 72 S CA 0.739 59.005 58.200 0.109 0.000 0.972 72 S CB -1.028 62.102 63.200 -0.117 0.000 0.814 72 S HN 0.855 nan 8.310 nan 0.000 0.477 73 A N 1.824 124.708 122.820 0.106 0.000 1.908 73 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 73 A C 2.346 179.745 177.584 -0.308 0.000 1.181 73 A CA 1.849 53.862 52.037 -0.041 0.000 0.627 73 A CB -1.129 17.934 19.000 0.106 0.000 0.818 73 A HN 0.518 nan 8.150 nan 0.000 0.445 74 A N -1.472 121.279 122.820 -0.115 0.000 1.902 74 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 74 A C 2.165 179.674 177.584 -0.125 0.000 1.181 74 A CA 1.781 53.755 52.037 -0.105 0.000 0.623 74 A CB -0.816 18.179 19.000 -0.007 0.000 0.818 74 A HN 0.780 nan 8.150 nan 0.000 0.443 75 Y N 1.026 121.206 120.300 -0.199 0.000 2.181 75 Y HA -0.050 4.499 4.550 -0.001 0.000 0.288 75 Y C 2.401 178.070 175.900 -0.385 0.000 1.146 75 Y CA 1.210 59.196 58.100 -0.190 0.000 1.164 75 Y CB -1.019 37.414 38.460 -0.044 0.000 0.982 75 Y HN 0.189 nan 8.280 nan 0.000 0.515 76 G N 0.375 108.665 108.800 -0.851 0.000 2.422 76 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.218 76 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.218 76 G C 1.760 175.886 174.900 -1.291 0.000 1.146 76 G CA 1.085 45.056 45.100 -1.881 0.000 0.769 76 G HN 0.468 nan 8.290 nan 0.000 0.547 77 L N 0.478 121.123 121.223 -0.963 0.000 2.109 77 L HA 0.031 4.370 4.340 -0.001 0.000 0.207 77 L C 2.790 179.527 176.870 -0.221 0.000 1.086 77 L CA 0.972 55.546 54.840 -0.443 0.000 0.760 77 L CB -0.363 41.510 42.059 -0.310 0.000 0.910 77 L HN 0.447 nan 8.230 nan 0.000 0.437 78 I N -3.033 117.353 120.570 -0.306 0.000 2.315 78 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 78 I C 2.480 178.387 176.117 -0.351 0.000 1.117 78 I CA 1.308 62.371 61.300 -0.395 0.000 1.404 78 I CB -0.616 36.976 38.000 -0.679 0.000 1.071 78 I HN 0.105 nan 8.210 nan 0.000 0.419 79 C N 0.469 119.570 119.300 -0.332 0.000 2.425 79 C HA -0.154 4.305 4.460 -0.001 0.000 0.277 79 C C 2.692 177.644 174.990 -0.064 0.000 1.280 79 C CA 1.054 59.932 59.018 -0.233 0.000 1.744 79 C CB -1.378 26.159 27.740 -0.338 0.000 1.989 79 C HN 0.698 nan 8.230 nan 0.000 0.491 80 Y N 2.183 122.415 120.300 -0.112 0.000 2.070 80 Y HA -0.220 4.330 4.550 -0.001 0.000 0.280 80 Y C 2.528 178.431 175.900 0.006 0.000 1.148 80 Y CA 2.039 60.151 58.100 0.021 0.000 1.125 80 Y CB -0.293 38.231 38.460 0.107 0.000 0.975 80 Y HN 0.287 nan 8.280 nan 0.000 0.492 81 E N 0.314 120.622 120.200 0.181 0.000 2.072 81 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 81 E C 2.388 178.999 176.600 0.018 0.000 0.985 81 E CA 1.275 57.740 56.400 0.109 0.000 0.801 81 E CB -0.573 29.220 29.700 0.155 0.000 0.750 81 E HN 0.549 nan 8.360 nan 0.000 0.452 82 L N 0.659 121.865 121.223 -0.028 0.000 1.989 82 L HA -0.228 4.111 4.340 -0.001 0.000 0.211 82 L C 2.618 179.509 176.870 0.035 0.000 1.071 82 L CA 1.576 56.415 54.840 -0.002 0.000 0.749 82 L CB -0.301 41.713 42.059 -0.076 0.000 0.890 82 L HN 0.111 nan 8.230 nan 0.000 0.431 83 E N -0.034 120.165 120.200 -0.002 0.000 2.204 83 E HA -0.257 4.092 4.350 -0.001 0.000 0.195 83 E C 2.242 178.843 176.600 0.002 0.000 0.990 83 E CA 0.754 57.166 56.400 0.020 0.000 0.821 83 E CB 0.016 29.703 29.700 -0.022 0.000 0.750 83 E HN 0.190 nan 8.360 nan 0.000 0.477 84 R N -0.409 120.027 120.500 -0.106 0.000 2.159 84 R HA -0.127 4.213 4.340 -0.001 0.000 0.237 84 R C 1.605 177.906 176.300 0.001 0.000 1.131 84 R CA 1.345 57.356 56.100 -0.148 0.000 0.982 84 R CB 0.085 30.278 30.300 -0.179 0.000 0.868 84 R HN 0.126 nan 8.270 nan 0.000 0.453 85 V N -0.615 119.329 119.914 0.050 0.000 2.341 85 V HA 0.047 4.167 4.120 -0.001 0.000 0.240 85 V C 0.285 176.418 176.094 0.065 0.000 1.035 85 V CA 1.411 63.734 62.300 0.038 0.000 1.033 85 V CB -0.100 31.755 31.823 0.054 0.000 0.678 85 V HN 0.380 nan 8.190 nan 0.000 0.464 86 D N -2.643 117.831 120.400 0.123 0.000 2.878 86 D HA 0.257 4.896 4.640 -0.001 0.000 0.211 86 D C 0.534 176.947 176.300 0.188 0.000 1.271 86 D CA 0.026 54.089 54.000 0.105 0.000 0.845 86 D CB 1.799 42.674 40.800 0.124 0.000 1.679 86 D HN -0.073 nan 8.370 nan 0.000 0.536 87 S N 1.497 117.310 115.700 0.189 0.000 2.420 87 S HA -0.091 4.379 4.470 -0.001 0.000 0.237 87 S C 1.961 176.730 174.600 0.283 0.000 1.023 87 S CA 1.224 59.551 58.200 0.212 0.000 0.991 87 S CB -0.155 63.158 63.200 0.188 0.000 0.792 87 S HN 0.655 nan 8.310 nan 0.000 0.488 88 G N 1.355 110.359 108.800 0.340 0.000 2.422 88 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.218 88 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.218 88 G C 1.269 176.499 174.900 0.550 0.000 1.140 88 G CA 0.374 45.737 45.100 0.438 0.000 0.775 88 G HN 0.458 nan 8.290 nan 0.000 0.545 89 L N -0.376 121.137 121.223 0.483 0.000 2.109 89 L HA 0.074 4.413 4.340 -0.001 0.000 0.207 89 L C 2.930 180.042 176.870 0.403 0.000 1.086 89 L CA 0.542 55.708 54.840 0.543 0.000 0.760 89 L CB -0.375 41.926 42.059 0.402 0.000 0.910 89 L HN 0.093 nan 8.230 nan 0.000 0.437 90 R N 0.368 121.027 120.500 0.264 0.000 2.092 90 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 90 R C 2.271 178.694 176.300 0.205 0.000 1.119 90 R CA 1.540 57.736 56.100 0.160 0.000 0.970 90 R CB -0.260 30.104 30.300 0.107 0.000 0.864 90 R HN 0.249 nan 8.270 nan 0.000 0.440 91 S N 0.813 116.676 115.700 0.271 0.000 2.359 91 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 91 S C 1.577 176.284 174.600 0.178 0.000 1.035 91 S CA 1.565 59.905 58.200 0.233 0.000 1.018 91 S CB -0.517 62.863 63.200 0.299 0.000 0.876 91 S HN 0.429 nan 8.310 nan 0.000 0.448 92 F N 2.386 122.426 119.950 0.150 0.000 2.095 92 F HA -0.176 4.351 4.527 -0.001 0.000 0.298 92 F C 2.119 178.004 175.800 0.143 0.000 1.104 92 F CA 1.275 59.332 58.000 0.094 0.000 1.232 92 F CB -0.419 38.701 39.000 0.200 0.000 0.987 92 F HN -0.023 nan 8.300 nan 0.000 0.475 93 V N -0.570 119.507 119.914 0.272 0.000 2.427 93 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 93 V C 2.397 178.544 176.094 0.089 0.000 1.051 93 V CA 1.915 64.321 62.300 0.177 0.000 1.048 93 V CB -0.866 31.061 31.823 0.174 0.000 0.666 93 V HN 0.353 nan 8.190 nan 0.000 0.456 94 S N 0.114 115.865 115.700 0.085 0.000 2.356 94 S HA -0.172 4.297 4.470 -0.001 0.000 0.223 94 S C 2.050 176.632 174.600 -0.029 0.000 1.032 94 S CA 1.574 59.820 58.200 0.077 0.000 1.005 94 S CB -0.290 62.924 63.200 0.023 0.000 0.867 94 S HN 0.382 nan 8.310 nan 0.000 0.449 95 V N 1.754 121.604 119.914 -0.106 0.000 2.237 95 V HA -0.237 3.883 4.120 -0.001 0.000 0.245 95 V C 2.628 178.638 176.094 -0.139 0.000 1.046 95 V CA 2.174 64.386 62.300 -0.147 0.000 1.007 95 V CB -0.817 30.902 31.823 -0.173 0.000 0.638 95 V HN 0.386 nan 8.190 nan 0.000 0.445 96 Q N 0.242 119.892 119.800 -0.250 0.000 2.061 96 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 96 Q C 2.286 178.249 176.000 -0.062 0.000 0.984 96 Q CA 2.534 58.219 55.803 -0.197 0.000 0.846 96 Q CB -0.275 28.284 28.738 -0.299 0.000 0.902 96 Q HN 0.674 nan 8.270 nan 0.000 0.421 97 S N -0.878 114.795 115.700 -0.046 0.000 2.336 97 S HA 0.007 4.477 4.470 -0.001 0.000 0.216 97 S C 1.918 176.496 174.600 -0.038 0.000 1.032 97 S CA 1.069 59.230 58.200 -0.065 0.000 0.973 97 S CB -0.113 62.997 63.200 -0.150 0.000 0.888 97 S HN 0.320 nan 8.310 nan 0.000 0.455 98 S N 0.837 116.528 115.700 -0.014 0.000 2.517 98 S HA 0.344 4.814 4.470 -0.001 0.000 0.214 98 S C 1.278 175.885 174.600 0.012 0.000 0.991 98 S CA 0.147 58.342 58.200 -0.008 0.000 0.906 98 S CB 0.059 63.249 63.200 -0.017 0.000 0.789 98 S HN 0.284 nan 8.310 nan 0.000 0.513 99 L N 0.081 121.293 121.223 -0.018 0.000 2.731 99 L HA 0.307 4.646 4.340 -0.001 0.000 0.240 99 L C 1.057 178.095 176.870 0.280 0.000 1.120 99 L CA 0.121 54.944 54.840 -0.028 0.000 0.913 99 L CB 0.388 42.230 42.059 -0.363 0.000 1.213 99 L HN 0.152 nan 8.230 nan 0.000 0.515 100 V N -1.520 118.495 119.914 0.170 0.000 3.278 100 V HA 0.039 4.158 4.120 -0.001 0.000 0.215 100 V C 2.045 178.205 176.094 0.110 0.000 1.287 100 V CA 0.219 62.605 62.300 0.144 0.000 1.302 100 V CB 0.202 32.056 31.823 0.052 0.000 1.228 100 V HN 0.102 nan 8.190 nan 0.000 0.523 101 M N -0.318 119.328 119.600 0.076 0.000 2.073 101 M HA -0.243 4.237 4.480 -0.001 0.000 0.258 101 M C 2.294 178.647 176.300 0.088 0.000 1.070 101 M CA 2.642 57.978 55.300 0.060 0.000 1.103 101 M CB -0.648 31.963 32.600 0.018 0.000 1.321 101 M HN 0.538 nan 8.290 nan 0.000 0.405 102 Y N 1.992 122.298 120.300 0.011 0.000 2.053 102 Y HA -0.185 4.365 4.550 -0.001 0.000 0.277 102 Y C -0.622 175.319 175.900 0.069 0.000 1.159 102 Y CA 2.244 60.361 58.100 0.028 0.000 1.125 102 Y CB -1.868 36.594 38.460 0.005 0.000 0.969 102 Y HN 0.110 nan 8.280 nan 0.000 0.492 103 P HA -0.218 nan 4.420 nan 0.000 0.216 103 P C 1.756 179.050 177.300 -0.010 0.000 1.150 103 P CA 2.138 65.301 63.100 0.105 0.000 0.837 103 P CB -0.219 31.788 31.700 0.511 0.000 0.786 104 I N -1.917 118.653 120.570 0.001 0.000 2.252 104 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 104 I C 2.760 178.812 176.117 -0.110 0.000 1.102 104 I CA 1.356 62.643 61.300 -0.021 0.000 1.385 104 I CB -0.651 37.365 38.000 0.027 0.000 1.064 104 I HN -0.122 nan 8.210 nan 0.000 0.414 105 Y N 1.467 121.596 120.300 -0.285 0.000 2.184 105 Y HA -0.178 4.371 4.550 -0.001 0.000 0.290 105 Y C 2.458 178.102 175.900 -0.427 0.000 1.129 105 Y CA 1.465 59.349 58.100 -0.360 0.000 1.144 105 Y CB -0.298 37.978 38.460 -0.307 0.000 0.995 105 Y HN 0.085 nan 8.280 nan 0.000 0.513 106 A N -1.303 121.117 122.820 -0.666 0.000 1.930 106 A HA -0.079 4.240 4.320 -0.001 0.000 0.215 106 A C 1.150 178.244 177.584 -0.817 0.000 1.176 106 A CA 1.510 52.967 52.037 -0.968 0.000 0.632 106 A CB -0.779 17.269 19.000 -1.588 0.000 0.819 106 A HN 0.587 nan 8.150 nan 0.000 0.445 107 Y N -0.840 119.322 120.300 -0.230 0.000 2.527 107 Y HA 0.386 4.935 4.550 -0.001 0.000 0.247 107 Y C 1.402 177.218 175.900 -0.139 0.000 1.138 107 Y CA -0.818 57.195 58.100 -0.146 0.000 1.228 107 Y CB -0.372 38.047 38.460 -0.067 0.000 1.252 107 Y HN 0.231 nan 8.280 nan 0.000 0.531 108 G N 0.576 109.342 108.800 -0.057 0.000 2.504 108 G HA2 0.400 4.359 3.960 -0.001 0.000 0.288 108 G HA3 0.400 4.359 3.960 -0.001 0.000 0.288 108 G C 0.150 175.006 174.900 -0.073 0.000 1.182 108 G CA -0.272 44.797 45.100 -0.052 0.000 0.894 108 G HN 0.203 nan 8.290 nan 0.000 0.521 109 S N -0.598 115.077 115.700 -0.041 0.000 2.634 109 S HA 0.148 4.618 4.470 -0.001 0.000 0.261 109 S C 1.143 175.709 174.600 -0.056 0.000 1.271 109 S CA 0.122 58.299 58.200 -0.039 0.000 0.985 109 S CB 1.502 64.693 63.200 -0.015 0.000 0.968 109 S HN 0.603 nan 8.310 nan 0.000 0.568 110 E N 0.293 120.470 120.200 -0.038 0.000 2.150 110 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 110 E C 1.854 178.449 176.600 -0.009 0.000 0.985 110 E CA 1.534 57.923 56.400 -0.017 0.000 0.814 110 E CB -0.273 29.436 29.700 0.015 0.000 0.752 110 E HN 0.808 nan 8.360 nan 0.000 0.466 111 E N -0.177 120.009 120.200 -0.024 0.000 2.072 111 E HA -0.215 4.135 4.350 -0.001 0.000 0.191 111 E C 1.961 178.502 176.600 -0.098 0.000 0.985 111 E CA 1.011 57.382 56.400 -0.049 0.000 0.801 111 E CB 0.029 29.704 29.700 -0.042 0.000 0.750 111 E HN 0.381 nan 8.360 nan 0.000 0.452 112 Q N 0.315 120.084 119.800 -0.051 0.000 2.079 112 Q HA -0.149 4.191 4.340 -0.001 0.000 0.200 112 Q C 2.213 178.215 176.000 0.004 0.000 0.974 112 Q CA 1.368 57.179 55.803 0.014 0.000 0.840 112 Q CB -0.012 28.812 28.738 0.144 0.000 0.898 112 Q HN 0.144 nan 8.270 nan 0.000 0.430 113 K N 0.573 120.934 120.400 -0.065 0.000 2.026 113 K HA -0.122 4.197 4.320 -0.001 0.000 0.208 113 K C 2.119 178.677 176.600 -0.069 0.000 1.048 113 K CA 1.142 57.318 56.287 -0.184 0.000 0.929 113 K CB -0.115 32.098 32.500 -0.478 0.000 0.713 113 K HN 0.133 nan 8.250 nan 0.000 0.439 114 R N 0.932 121.457 120.500 0.042 0.000 2.115 114 R HA -0.138 4.201 4.340 -0.001 0.000 0.230 114 R C 2.366 178.663 176.300 -0.006 0.000 1.111 114 R CA 1.463 57.645 56.100 0.135 0.000 0.976 114 R CB -0.092 30.268 30.300 0.101 0.000 0.870 114 R HN 0.490 nan 8.270 nan 0.000 0.445 115 E N -0.050 120.042 120.200 -0.180 0.000 2.190 115 E HA -0.074 4.276 4.350 -0.001 0.000 0.191 115 E C 1.103 177.496 176.600 -0.346 0.000 0.978 115 E CA 0.666 56.860 56.400 -0.342 0.000 0.839 115 E CB 0.066 29.422 29.700 -0.574 0.000 0.787 115 E HN 0.182 nan 8.360 nan 0.000 0.473 116 F N 1.264 121.221 119.950 0.012 0.000 2.315 116 F HA 0.225 4.751 4.527 -0.001 0.000 0.284 116 F C 2.280 178.096 175.800 0.027 0.000 1.049 116 F CA 0.123 58.129 58.000 0.011 0.000 1.323 116 F CB -0.620 38.377 39.000 -0.004 0.000 1.113 116 F HN -0.106 nan 8.300 nan 0.000 0.544 117 L N 0.402 121.747 121.223 0.204 0.000 2.034 117 L HA -0.240 4.099 4.340 -0.001 0.000 0.217 117 L C -0.460 176.496 176.870 0.144 0.000 1.077 117 L CA 1.951 56.878 54.840 0.144 0.000 0.769 117 L CB -2.077 40.038 42.059 0.093 0.000 0.890 117 L HN 0.119 nan 8.230 nan 0.000 0.435 118 P HA -0.145 nan 4.420 nan 0.000 0.216 118 P C 1.384 178.741 177.300 0.096 0.000 1.153 118 P CA 1.343 64.510 63.100 0.112 0.000 0.848 118 P CB 0.072 31.827 31.700 0.092 0.000 0.787 119 K N -0.894 119.567 120.400 0.101 0.000 2.217 119 K HA -0.006 4.313 4.320 -0.001 0.000 0.202 119 K C 1.954 178.627 176.600 0.120 0.000 1.051 119 K CA 0.861 57.206 56.287 0.096 0.000 0.952 119 K CB -0.520 32.036 32.500 0.094 0.000 0.736 119 K HN 0.109 nan 8.250 nan 0.000 0.453 120 L N -0.066 121.240 121.223 0.138 0.000 2.072 120 L HA -0.083 4.257 4.340 -0.001 0.000 0.205 120 L C 2.453 179.403 176.870 0.133 0.000 1.079 120 L CA 0.970 55.893 54.840 0.138 0.000 0.752 120 L CB -0.480 41.651 42.059 0.120 0.000 0.906 120 L HN 0.172 nan 8.230 nan 0.000 0.436 121 A N 0.246 123.134 122.820 0.114 0.000 1.972 121 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 121 A C 1.941 179.591 177.584 0.110 0.000 1.169 121 A CA 1.188 53.288 52.037 0.103 0.000 0.635 121 A CB -0.362 18.688 19.000 0.084 0.000 0.810 121 A HN 0.376 nan 8.150 nan 0.000 0.446 122 R N -0.715 119.847 120.500 0.103 0.000 2.702 122 R HA 0.272 4.611 4.340 -0.001 0.000 0.314 122 R C 0.963 177.329 176.300 0.109 0.000 1.152 122 R CA 0.288 56.441 56.100 0.088 0.000 1.097 122 R CB -0.330 30.006 30.300 0.061 0.000 1.343 122 R HN 0.478 nan 8.270 nan 0.000 0.575 123 G N 2.071 110.969 108.800 0.163 0.000 2.439 123 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.305 123 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.305 123 G C 0.647 175.647 174.900 0.167 0.000 0.966 123 G CA 1.198 46.425 45.100 0.211 0.000 0.890 123 G HN 0.599 nan 8.290 nan 0.000 0.513 124 E N -1.179 119.100 120.200 0.132 0.000 2.340 124 E HA 0.262 4.611 4.350 -0.001 0.000 0.194 124 E C 1.276 177.923 176.600 0.077 0.000 0.996 124 E CA 0.364 56.816 56.400 0.087 0.000 0.869 124 E CB 0.064 29.795 29.700 0.052 0.000 0.835 124 E HN 0.723 nan 8.360 nan 0.000 0.493 125 M N 1.290 120.976 119.600 0.143 0.000 2.183 125 M HA 0.299 4.779 4.480 -0.001 0.000 0.277 125 M C -1.664 174.846 176.300 0.351 0.000 0.995 125 M CA -0.832 54.586 55.300 0.196 0.000 0.969 125 M CB 2.233 34.880 32.600 0.078 0.000 1.659 125 M HN -0.142 nan 8.290 nan 0.000 0.462 126 V N 3.839 124.044 119.914 0.484 0.000 2.472 126 V HA 1.025 5.145 4.120 -0.001 0.000 0.290 126 V C -0.010 176.134 176.094 0.083 0.000 1.037 126 V CA 0.376 62.815 62.300 0.231 0.000 0.908 126 V CB 1.176 33.171 31.823 0.287 0.000 0.985 126 V HN 1.017 nan 8.190 nan 0.000 0.454 127 G N 3.968 112.773 108.800 0.008 0.000 2.597 127 G HA2 0.740 4.699 3.960 -0.001 0.000 0.317 127 G HA3 0.740 4.699 3.960 -0.001 0.000 0.317 127 G C -0.485 174.395 174.900 -0.034 0.000 1.230 127 G CA -0.216 44.867 45.100 -0.027 0.000 0.996 127 G HN 1.689 nan 8.290 nan 0.000 0.490 128 C N -2.297 117.012 119.300 0.015 0.000 3.236 128 C HA 0.864 5.324 4.460 -0.001 0.000 0.312 128 C C -1.141 173.961 174.990 0.186 0.000 1.374 128 C CA -1.451 57.614 59.018 0.077 0.000 1.455 128 C CB 0.998 28.785 27.740 0.079 0.000 1.834 128 C HN 0.687 nan 8.230 nan 0.000 0.460 129 F N 1.318 121.304 119.950 0.060 0.000 2.496 129 F HA 0.652 5.178 4.527 -0.001 0.000 0.341 129 F C 0.297 176.200 175.800 0.172 0.000 1.134 129 F CA -0.182 57.902 58.000 0.140 0.000 0.968 129 F CB 1.266 40.354 39.000 0.148 0.000 1.205 129 F HN 1.067 nan 8.300 nan 0.000 0.436 130 G N 6.653 115.447 108.800 -0.011 0.000 2.800 130 G HA2 0.415 4.374 3.960 -0.001 0.000 0.340 130 G HA3 0.415 4.374 3.960 -0.001 0.000 0.340 130 G C -0.351 174.571 174.900 0.036 0.000 1.089 130 G CA -0.242 44.882 45.100 0.040 0.000 1.144 130 G HN 0.731 nan 8.290 nan 0.000 0.461 131 L N 2.203 123.473 121.223 0.078 0.000 2.519 131 L HA 0.378 4.718 4.340 -0.001 0.000 0.194 131 L C 1.472 178.408 176.870 0.110 0.000 1.072 131 L CA 0.886 55.775 54.840 0.081 0.000 0.845 131 L CB -0.125 41.976 42.059 0.069 0.000 1.138 131 L HN 0.269 nan 8.230 nan 0.000 0.487 132 T N 1.839 116.489 114.554 0.161 0.000 2.934 132 T HA 0.134 4.484 4.350 -0.001 0.000 0.306 132 T C -0.092 174.674 174.700 0.110 0.000 1.042 132 T CA 0.256 62.448 62.100 0.154 0.000 1.145 132 T CB 0.277 69.286 68.868 0.235 0.000 0.982 132 T HN 0.239 nan 8.240 nan 0.000 0.544 133 E N 2.603 122.856 120.200 0.088 0.000 2.299 133 E HA 0.249 4.599 4.350 -0.001 0.000 0.265 133 E C -1.770 174.862 176.600 0.054 0.000 0.911 133 E CA -2.425 54.001 56.400 0.043 0.000 0.789 133 E CB 1.698 31.407 29.700 0.015 0.000 1.246 133 E HN 0.223 nan 8.360 nan 0.000 0.427 134 P HA -0.154 nan 4.420 nan 0.000 0.220 134 P C 0.004 177.333 177.300 0.048 0.000 1.144 134 P CA 1.202 64.313 63.100 0.017 0.000 0.800 134 P CB 0.229 31.911 31.700 -0.029 0.000 0.772 135 D N -1.595 118.827 120.400 0.037 0.000 2.340 135 D HA 0.253 4.893 4.640 -0.001 0.000 0.220 135 D C 0.849 177.180 176.300 0.051 0.000 1.039 135 D CA 0.635 54.657 54.000 0.037 0.000 0.866 135 D CB 0.017 40.826 40.800 0.016 0.000 0.913 135 D HN 0.075 nan 8.370 nan 0.000 0.523 136 G N -0.581 108.262 108.800 0.073 0.000 2.897 136 G HA2 0.157 4.117 3.960 -0.001 0.000 0.392 136 G HA3 0.157 4.117 3.960 -0.001 0.000 0.392 136 G C 0.740 175.684 174.900 0.073 0.000 1.263 136 G CA -0.408 44.737 45.100 0.075 0.000 1.185 136 G HN 0.088 nan 8.290 nan 0.000 0.573 137 G N 0.415 109.272 108.800 0.096 0.000 2.679 137 G HA2 0.155 4.115 3.960 -0.001 0.000 0.212 137 G HA3 0.155 4.115 3.960 -0.001 0.000 0.212 137 G C 1.687 176.619 174.900 0.052 0.000 1.137 137 G CA 1.623 46.777 45.100 0.089 0.000 0.787 137 G HN 0.893 nan 8.290 nan 0.000 0.534 138 S N -0.128 115.596 115.700 0.039 0.000 2.453 138 S HA -0.014 4.455 4.470 -0.001 0.000 0.231 138 S C 0.696 175.312 174.600 0.027 0.000 1.005 138 S CA 0.444 58.659 58.200 0.026 0.000 0.949 138 S CB 0.105 63.322 63.200 0.029 0.000 0.774 138 S HN 0.382 nan 8.310 nan 0.000 0.510 139 D N 1.165 121.583 120.400 0.029 0.000 2.479 139 D HA 0.240 4.880 4.640 -0.001 0.000 0.247 139 D C -1.864 174.448 176.300 0.020 0.000 1.119 139 D CA -2.281 51.731 54.000 0.020 0.000 0.922 139 D CB 1.264 42.085 40.800 0.034 0.000 1.014 139 D HN 0.075 nan 8.370 nan 0.000 0.510 140 P HA -0.086 nan 4.420 nan 0.000 0.235 140 P C 1.078 178.395 177.300 0.030 0.000 1.177 140 P CA 0.278 63.388 63.100 0.017 0.000 0.785 140 P CB 0.312 32.012 31.700 0.001 0.000 0.885 141 Y N 1.501 121.765 120.300 -0.059 0.000 2.269 141 Y HA 0.194 4.743 4.550 -0.001 0.000 0.294 141 Y C 2.551 178.436 175.900 -0.025 0.000 1.120 141 Y CA 1.813 59.885 58.100 -0.048 0.000 1.159 141 Y CB -0.901 37.518 38.460 -0.067 0.000 1.024 141 Y HN -0.121 nan 8.280 nan 0.000 0.532 142 G N 0.148 108.954 108.800 0.010 0.000 2.422 142 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 142 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 142 G C 1.265 176.109 174.900 -0.093 0.000 1.140 142 G CA 0.957 46.030 45.100 -0.046 0.000 0.775 142 G HN 0.372 nan 8.290 nan 0.000 0.545 143 N N -0.104 118.558 118.700 -0.062 0.000 2.230 143 N HA 0.117 4.857 4.740 -0.001 0.000 0.202 143 N C 0.675 176.150 175.510 -0.060 0.000 1.119 143 N CA -0.178 52.844 53.050 -0.046 0.000 0.851 143 N CB 0.298 38.783 38.487 -0.004 0.000 0.990 143 N HN 0.308 nan 8.380 nan 0.000 0.497 144 M N 1.430 120.965 119.600 -0.108 0.000 3.042 144 M HA 0.082 4.562 4.480 -0.001 0.000 0.283 144 M C 0.168 176.410 176.300 -0.097 0.000 1.473 144 M CA 0.190 55.436 55.300 -0.090 0.000 1.583 144 M CB -0.053 32.483 32.600 -0.106 0.000 1.221 144 M HN -0.188 nan 8.290 nan 0.000 0.518 145 K N 1.049 121.412 120.400 -0.062 0.000 2.444 145 K HA 0.098 4.418 4.320 -0.001 0.000 0.193 145 K C 0.120 176.696 176.600 -0.040 0.000 1.024 145 K CA 0.217 56.471 56.287 -0.055 0.000 1.077 145 K CB 0.174 32.647 32.500 -0.044 0.000 0.833 145 K HN 0.520 nan 8.250 nan 0.000 0.517 146 T N 2.399 116.936 114.554 -0.030 0.000 2.834 146 T HA 0.126 4.475 4.350 -0.001 0.000 0.298 146 T C 0.226 174.921 174.700 -0.009 0.000 0.966 146 T CA -0.086 62.000 62.100 -0.023 0.000 1.141 146 T CB 0.552 69.412 68.868 -0.014 0.000 0.905 146 T HN -0.022 nan 8.240 nan 0.000 0.535 147 R N 1.601 122.092 120.500 -0.014 0.000 2.643 147 R HA 0.789 5.128 4.340 -0.001 0.000 0.272 147 R C -0.508 175.797 176.300 0.008 0.000 0.995 147 R CA -0.944 55.163 56.100 0.011 0.000 1.032 147 R CB 1.586 31.891 30.300 0.009 0.000 1.126 147 R HN 0.695 nan 8.270 nan 0.000 0.505 148 A N 2.628 125.500 122.820 0.086 0.000 2.414 148 A HA 0.584 4.903 4.320 -0.001 0.000 0.286 148 A C -0.747 177.046 177.584 0.348 0.000 1.073 148 A CA -0.738 51.393 52.037 0.157 0.000 0.727 148 A CB 1.094 20.190 19.000 0.160 0.000 1.215 148 A HN 0.590 nan 8.150 nan 0.000 0.430 149 R N 1.454 122.108 120.500 0.257 0.000 2.480 149 R HA 0.544 4.884 4.340 -0.001 0.000 0.306 149 R C -0.014 176.220 176.300 -0.110 0.000 0.958 149 R CA -0.724 55.437 56.100 0.102 0.000 0.861 149 R CB 2.524 32.837 30.300 0.023 0.000 1.171 149 R HN 0.886 nan 8.270 nan 0.000 0.445 154 T N -2.326 112.159 114.554 -0.115 0.000 2.971 154 T HA 0.556 4.906 4.350 -0.001 0.000 0.304 154 T C -0.629 173.997 174.700 -0.124 0.000 1.038 154 T CA -0.714 61.382 62.100 -0.006 0.000 1.007 154 T CB 0.955 69.833 68.868 0.017 0.000 1.055 154 T HN -0.068 nan 8.240 nan 0.000 0.451 155 W N 2.445 123.741 121.300 -0.006 0.000 2.190 155 W HA 0.506 5.165 4.660 -0.001 0.000 0.330 155 W C 0.392 176.827 176.519 -0.140 0.000 1.299 155 W CA -0.456 56.849 57.345 -0.066 0.000 1.215 155 W CB 0.729 30.139 29.460 -0.084 0.000 1.147 155 W HN 0.693 nan 8.180 nan 0.000 0.563 156 V N 5.200 125.163 119.914 0.083 0.000 2.604 156 V HA 0.672 4.791 4.120 -0.001 0.000 0.305 156 V C -1.287 174.779 176.094 -0.046 0.000 1.043 156 V CA -1.050 61.248 62.300 -0.004 0.000 0.888 156 V CB 1.274 33.089 31.823 -0.013 0.000 0.995 156 V HN 0.355 nan 8.190 nan 0.000 0.429 157 L N 5.958 127.116 121.223 -0.110 0.000 2.334 157 L HA 0.695 5.035 4.340 -0.001 0.000 0.276 157 L C -0.041 176.782 176.870 -0.078 0.000 1.014 157 L CA -0.166 54.588 54.840 -0.144 0.000 0.815 157 L CB 1.789 43.690 42.059 -0.264 0.000 1.268 157 L HN 0.733 nan 8.230 nan 0.000 0.428 158 N N 1.637 120.297 118.700 -0.066 0.000 2.397 158 N HA 0.805 5.545 4.740 -0.001 0.000 0.291 158 N C -0.530 174.947 175.510 -0.055 0.000 1.065 158 N CA -0.287 52.730 53.050 -0.054 0.000 0.884 158 N CB 2.715 41.178 38.487 -0.040 0.000 1.551 158 N HN 0.783 nan 8.380 nan 0.000 0.487 159 G N 0.083 108.843 108.800 -0.067 0.000 2.315 159 G HA2 0.332 4.291 3.960 -0.001 0.000 0.294 159 G HA3 0.332 4.291 3.960 -0.001 0.000 0.294 159 G C -1.711 173.135 174.900 -0.091 0.000 1.300 159 G CA -0.434 44.627 45.100 -0.066 0.000 0.843 159 G HN 0.317 nan 8.290 nan 0.000 0.527 160 T N 0.855 115.359 114.554 -0.084 0.000 2.909 160 T HA 0.710 5.060 4.350 -0.001 0.000 0.299 160 T C -1.027 173.622 174.700 -0.085 0.000 1.073 160 T CA -0.747 61.289 62.100 -0.108 0.000 0.999 160 T CB 1.935 70.739 68.868 -0.106 0.000 1.098 160 T HN 0.453 nan 8.240 nan 0.000 0.477 161 K N 2.302 122.641 120.400 -0.103 0.000 2.378 161 K HA 0.607 4.927 4.320 -0.001 0.000 0.252 161 K C -1.005 175.535 176.600 -0.100 0.000 0.931 161 K CA -0.889 55.364 56.287 -0.058 0.000 0.794 161 K CB 2.192 34.677 32.500 -0.025 0.000 1.181 161 K HN 0.382 nan 8.250 nan 0.000 0.425 162 M N 1.055 120.604 119.600 -0.085 0.000 2.528 162 M HA 0.290 4.770 4.480 -0.001 0.000 0.321 162 M C -0.818 175.437 176.300 -0.074 0.000 1.153 162 M CA -0.597 54.543 55.300 -0.266 0.000 0.951 162 M CB 0.712 33.057 32.600 -0.426 0.000 1.705 162 M HN 0.669 nan 8.290 nan 0.000 0.451 163 W N 2.881 124.214 121.300 0.056 0.000 5.158 163 W HA -0.183 4.477 4.660 -0.001 0.000 0.393 163 W C -0.578 176.001 176.519 0.101 0.000 1.508 163 W CA -0.404 56.992 57.345 0.084 0.000 0.901 163 W CB -1.797 27.727 29.460 0.106 0.000 2.676 163 W HN 0.309 nan 8.180 nan 0.000 1.392 164 I N 0.998 121.692 120.570 0.207 0.000 2.312 164 I HA 0.153 4.323 4.170 -0.001 0.000 0.291 164 I C 1.302 177.515 176.117 0.160 0.000 1.031 164 I CA -0.423 60.988 61.300 0.184 0.000 1.293 164 I CB 0.129 38.205 38.000 0.127 0.000 1.403 164 I HN -0.138 nan 8.210 nan 0.000 0.484 165 T N 6.925 121.575 114.554 0.161 0.000 2.940 165 T HA 0.028 4.377 4.350 -0.001 0.000 0.309 165 T C 0.993 175.729 174.700 0.060 0.000 1.056 165 T CA 0.249 62.416 62.100 0.112 0.000 1.137 165 T CB 0.037 68.957 68.868 0.086 0.000 0.976 165 T HN 0.604 nan 8.240 nan 0.000 0.547 166 N N 0.553 119.268 118.700 0.026 0.000 2.828 166 N HA -0.176 4.563 4.740 -0.001 0.000 0.248 166 N C 1.394 176.920 175.510 0.027 0.000 1.044 166 N CA 1.136 54.188 53.050 0.004 0.000 0.851 166 N CB -1.468 36.998 38.487 -0.034 0.000 1.136 166 N HN 0.846 nan 8.380 nan 0.000 0.572 167 G N 0.036 108.867 108.800 0.052 0.000 2.513 167 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.219 167 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.219 167 G C 1.319 176.252 174.900 0.054 0.000 1.160 167 G CA 1.432 46.570 45.100 0.062 0.000 0.767 167 G HN 0.501 nan 8.290 nan 0.000 0.571 168 N N -0.510 118.210 118.700 0.033 0.000 2.280 168 N HA 0.258 4.998 4.740 -0.001 0.000 0.192 168 N C 1.762 177.270 175.510 -0.005 0.000 1.109 168 N CA 0.001 53.065 53.050 0.024 0.000 0.855 168 N CB 0.361 38.862 38.487 0.024 0.000 0.974 168 N HN 0.292 nan 8.380 nan 0.000 0.482 169 L N -0.664 120.546 121.223 -0.021 0.000 2.470 169 L HA 0.389 4.728 4.340 -0.001 0.000 0.219 169 L C 0.736 177.482 176.870 -0.207 0.000 1.071 169 L CA -0.238 54.566 54.840 -0.060 0.000 0.850 169 L CB -0.095 41.974 42.059 0.017 0.000 1.040 169 L HN 0.027 nan 8.230 nan 0.000 0.475 170 A N -0.417 122.315 122.820 -0.146 0.000 2.477 170 A HA 0.097 4.417 4.320 -0.001 0.000 0.246 170 A C 0.294 177.711 177.584 -0.279 0.000 1.078 170 A CA 0.055 51.976 52.037 -0.193 0.000 0.770 170 A CB -0.085 18.881 19.000 -0.057 0.000 1.011 170 A HN 0.375 nan 8.150 nan 0.000 0.494 171 H N 0.833 119.894 119.070 -0.015 0.000 2.595 171 H HA 0.379 4.935 4.556 -0.001 0.000 0.265 171 H C -0.277 174.974 175.328 -0.128 0.000 0.953 171 H CA 0.225 56.245 56.048 -0.046 0.000 1.197 171 H CB 0.335 30.093 29.762 -0.008 0.000 1.438 171 H HN 0.422 nan 8.280 nan 0.000 0.531 172 L N 0.613 121.807 121.223 -0.048 0.000 2.401 172 L HA 0.731 5.070 4.340 -0.001 0.000 0.266 172 L C -1.253 175.521 176.870 -0.161 0.000 0.991 172 L CA -0.909 53.824 54.840 -0.179 0.000 0.818 172 L CB 1.820 43.709 42.059 -0.283 0.000 1.321 172 L HN 0.014 nan 8.230 nan 0.000 0.413 173 A N 4.212 126.907 122.820 -0.208 0.000 2.340 173 A HA 0.645 4.964 4.320 -0.001 0.000 0.297 173 A C -1.097 176.394 177.584 -0.154 0.000 1.195 173 A CA -0.534 51.438 52.037 -0.109 0.000 0.769 173 A CB 1.063 20.061 19.000 -0.003 0.000 1.163 173 A HN 0.416 nan 8.150 nan 0.000 0.472 174 V N 4.351 124.177 119.914 -0.147 0.000 2.364 174 V HA 0.104 4.224 4.120 -0.001 0.000 0.252 174 V C -0.073 175.745 176.094 -0.461 0.000 1.075 174 V CA 0.350 62.468 62.300 -0.304 0.000 1.033 174 V CB -0.470 31.258 31.823 -0.158 0.000 1.116 174 V HN 0.688 nan 8.190 nan 0.000 0.488 175 I N 4.698 124.998 120.570 -0.450 0.000 2.392 175 I HA 0.463 4.632 4.170 -0.001 0.000 0.295 175 I C -0.446 175.329 176.117 -0.570 0.000 0.985 175 I CA -0.191 60.900 61.300 -0.349 0.000 1.221 175 I CB 1.521 39.470 38.000 -0.085 0.000 1.366 175 I HN 0.519 nan 8.210 nan 0.000 0.467 176 W N 6.569 127.808 121.300 -0.101 0.000 2.417 176 W HA 0.782 5.442 4.660 -0.001 0.000 0.315 176 W C -0.118 176.392 176.519 -0.016 0.000 1.045 176 W CA -0.376 56.918 57.345 -0.084 0.000 1.221 176 W CB 1.358 30.712 29.460 -0.177 0.000 1.309 176 W HN 0.574 nan 8.180 nan 0.000 0.453 177 A N 2.679 125.632 122.820 0.223 0.000 2.524 177 A HA 0.872 5.192 4.320 -0.001 0.000 0.286 177 A C -0.984 176.693 177.584 0.155 0.000 1.203 177 A CA -1.051 51.077 52.037 0.152 0.000 0.736 177 A CB 1.849 20.911 19.000 0.104 0.000 1.322 177 A HN 0.542 nan 8.150 nan 0.000 0.424 178 K N -0.296 120.164 120.400 0.100 0.000 2.313 178 K HA 0.554 4.874 4.320 -0.001 0.000 0.235 178 K C -1.359 175.321 176.600 0.135 0.000 1.035 178 K CA -0.612 55.733 56.287 0.098 0.000 0.868 178 K CB 1.517 34.029 32.500 0.020 0.000 1.232 178 K HN 0.871 nan 8.250 nan 0.000 0.459 184 V N 5.063 125.075 119.914 0.163 0.000 2.529 184 V HA 0.311 4.431 4.120 -0.001 0.000 0.292 184 V C 0.350 176.488 176.094 0.073 0.000 1.028 184 V CA 0.198 62.584 62.300 0.143 0.000 1.074 184 V CB -0.073 31.845 31.823 0.158 0.000 0.958 184 V HN 0.625 nan 8.190 nan 0.000 0.481 185 L N 3.580 124.820 121.223 0.029 0.000 2.333 185 L HA 0.889 5.228 4.340 -0.001 0.000 0.263 185 L C 0.372 176.983 176.870 -0.432 0.000 1.014 185 L CA -0.601 54.080 54.840 -0.265 0.000 0.820 185 L CB 2.416 44.171 42.059 -0.507 0.000 1.352 185 L HN 0.742 nan 8.230 nan 0.000 0.421 186 G N 0.719 108.988 108.800 -0.886 0.000 2.590 186 G HA2 0.713 4.672 3.960 -0.001 0.000 0.310 186 G HA3 0.713 4.672 3.960 -0.001 0.000 0.310 186 G C -1.548 172.587 174.900 -1.276 0.000 1.347 186 G CA -0.203 44.127 45.100 -1.283 0.000 0.963 186 G HN 0.220 nan 8.290 nan 0.000 0.494 187 F N 0.848 120.381 119.950 -0.696 0.000 2.532 187 F HA 0.478 5.004 4.527 -0.001 0.000 0.321 187 F C 0.275 175.815 175.800 -0.433 0.000 1.089 187 F CA -1.031 56.677 58.000 -0.488 0.000 0.926 187 F CB 2.357 41.110 39.000 -0.411 0.000 1.168 187 F HN 0.116 nan 8.300 nan 0.000 0.459 188 L N 4.179 125.306 121.223 -0.160 0.000 2.352 188 L HA 0.388 4.728 4.340 -0.001 0.000 0.272 188 L C -0.772 175.984 176.870 -0.190 0.000 1.109 188 L CA -0.616 54.084 54.840 -0.234 0.000 0.952 188 L CB 0.194 42.093 42.059 -0.266 0.000 1.314 188 L HN 0.341 nan 8.230 nan 0.000 0.427 189 V N 4.329 124.116 119.914 -0.211 0.000 2.385 189 V HA 0.241 4.360 4.120 -0.001 0.000 0.269 189 V C -1.964 173.906 176.094 -0.373 0.000 1.043 189 V CA -1.658 60.491 62.300 -0.252 0.000 0.906 189 V CB 1.007 32.684 31.823 -0.243 0.000 0.995 189 V HN 0.470 nan 8.190 nan 0.000 0.467 190 P HA 0.112 nan 4.420 nan 0.000 0.268 190 P C 1.059 178.053 177.300 -0.510 0.000 1.205 190 P CA -0.010 62.923 63.100 -0.278 0.000 0.771 190 P CB 0.555 32.176 31.700 -0.133 0.000 0.858 191 T N -2.449 111.831 114.554 -0.457 0.000 3.118 191 T HA -0.076 4.273 4.350 -0.001 0.000 0.260 191 T C 0.787 175.344 174.700 -0.238 0.000 1.139 191 T CA 0.788 62.515 62.100 -0.622 0.000 1.085 191 T CB -0.594 68.124 68.868 -0.249 0.000 0.934 191 T HN 0.390 nan 8.240 nan 0.000 0.518 192 D N 1.236 121.555 120.400 -0.135 0.000 2.369 192 D HA 0.027 4.667 4.640 -0.001 0.000 0.211 192 D C 0.937 177.227 176.300 -0.017 0.000 1.077 192 D CA -0.061 53.925 54.000 -0.023 0.000 0.842 192 D CB -0.694 40.111 40.800 0.008 0.000 0.947 192 D HN 0.429 nan 8.370 nan 0.000 0.509 193 T N 0.945 115.458 114.554 -0.069 0.000 2.888 193 T HA 0.202 4.551 4.350 -0.001 0.000 0.301 193 T C -2.155 172.565 174.700 0.033 0.000 1.001 193 T CA -1.335 60.749 62.100 -0.027 0.000 1.147 193 T CB 0.660 69.493 68.868 -0.058 0.000 0.931 193 T HN -0.089 nan 8.240 nan 0.000 0.541 194 P HA 0.179 nan 4.420 nan 0.000 0.264 194 P C 1.050 178.389 177.300 0.065 0.000 1.179 194 P CA 1.018 64.147 63.100 0.048 0.000 0.763 194 P CB 0.146 31.861 31.700 0.026 0.000 0.806 195 G N 1.521 110.362 108.800 0.068 0.000 2.176 195 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.232 195 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.232 195 G C -0.331 174.621 174.900 0.086 0.000 0.986 195 G CA -0.286 44.847 45.100 0.054 0.000 0.643 195 G HN 0.549 nan 8.290 nan 0.000 0.522 196 F N 2.515 122.443 119.950 -0.037 0.000 2.388 196 F HA 0.706 5.233 4.527 -0.001 0.000 0.358 196 F C -0.114 175.665 175.800 -0.035 0.000 1.122 196 F CA -0.789 57.186 58.000 -0.042 0.000 1.056 196 F CB 1.205 40.178 39.000 -0.044 0.000 1.155 196 F HN 0.020 nan 8.300 nan 0.000 0.461 197 Q N 4.979 124.581 119.800 -0.330 0.000 2.353 197 Q HA 0.682 5.021 4.340 -0.001 0.000 0.268 197 Q C -1.253 174.556 176.000 -0.318 0.000 1.045 197 Q CA -0.948 54.739 55.803 -0.194 0.000 0.811 197 Q CB 2.170 30.827 28.738 -0.135 0.000 1.305 197 Q HN 0.750 nan 8.270 nan 0.000 0.447 198 A N 3.032 125.776 122.820 -0.127 0.000 2.319 198 A HA 0.734 5.053 4.320 -0.001 0.000 0.310 198 A C -0.604 176.943 177.584 -0.061 0.000 1.152 198 A CA -0.680 51.296 52.037 -0.102 0.000 0.783 198 A CB 0.971 19.988 19.000 0.027 0.000 1.184 198 A HN 0.604 nan 8.150 nan 0.000 0.474 199 R N 2.196 122.646 120.500 -0.082 0.000 2.534 199 R HA 0.394 4.733 4.340 -0.001 0.000 0.301 199 R C -0.805 175.463 176.300 -0.053 0.000 0.961 199 R CA -0.631 55.432 56.100 -0.061 0.000 0.871 199 R CB 2.299 32.553 30.300 -0.076 0.000 1.170 199 R HN 0.822 nan 8.270 nan 0.000 0.446 200 E N 1.293 121.477 120.200 -0.025 0.000 2.390 200 E HA 0.124 4.474 4.350 -0.001 0.000 0.261 200 E C -0.377 176.212 176.600 -0.018 0.000 1.076 200 E CA -0.321 56.075 56.400 -0.007 0.000 0.905 200 E CB 1.163 30.872 29.700 0.015 0.000 0.984 200 E HN 0.140 nan 8.360 nan 0.000 0.427 201 V N 3.686 123.604 119.914 0.007 0.000 2.465 201 V HA 0.152 4.272 4.120 -0.001 0.000 0.279 201 V C 0.231 176.359 176.094 0.055 0.000 1.045 201 V CA -0.400 61.910 62.300 0.016 0.000 0.938 201 V CB 0.942 32.812 31.823 0.078 0.000 0.986 201 V HN 0.520 nan 8.190 nan 0.000 0.467 202 K N 3.580 124.005 120.400 0.043 0.000 2.280 202 K HA 0.665 4.984 4.320 -0.001 0.000 0.234 202 K C 0.180 176.814 176.600 0.057 0.000 1.028 202 K CA -1.087 55.223 56.287 0.039 0.000 0.882 202 K CB 0.910 33.421 32.500 0.019 0.000 1.194 202 K HN 0.492 nan 8.250 nan 0.000 0.458 203 R N -0.567 119.954 120.500 0.034 0.000 3.532 203 R HA -0.169 4.170 4.340 -0.001 0.000 0.284 203 R C -0.800 175.528 176.300 0.047 0.000 1.140 203 R CA 0.552 56.673 56.100 0.035 0.000 0.768 203 R CB -2.250 28.079 30.300 0.048 0.000 1.252 203 R HN 0.449 nan 8.270 nan 0.000 0.454 204 K N 0.461 120.876 120.400 0.024 0.000 2.276 204 K HA 0.247 4.566 4.320 -0.001 0.000 0.285 204 K C 0.716 177.285 176.600 -0.052 0.000 1.062 204 K CA -0.380 55.919 56.287 0.020 0.000 0.918 204 K CB 0.580 33.094 32.500 0.024 0.000 1.055 204 K HN -0.016 nan 8.250 nan 0.000 0.477 205 M N 1.301 120.903 119.600 0.004 0.000 2.419 205 M HA 0.115 4.594 4.480 -0.001 0.000 0.252 205 M C -0.166 176.232 176.300 0.164 0.000 1.143 205 M CA 0.252 55.576 55.300 0.039 0.000 0.985 205 M CB -0.236 32.415 32.600 0.085 0.000 1.489 205 M HN 0.392 nan 8.290 nan 0.000 0.484 206 S N -0.036 115.740 115.700 0.127 0.000 2.533 206 S HA 0.541 5.010 4.470 -0.001 0.000 0.271 206 S C -0.277 174.455 174.600 0.219 0.000 1.143 206 S CA -0.550 57.814 58.200 0.273 0.000 0.891 206 S CB 0.886 64.176 63.200 0.151 0.000 1.105 206 S HN 0.283 nan 8.310 nan 0.000 0.468 207 L N 3.338 124.805 121.223 0.406 0.000 3.677 207 L HA -0.159 4.180 4.340 -0.001 0.000 0.464 207 L C 1.128 178.112 176.870 0.189 0.000 1.278 207 L CA 0.926 55.980 54.840 0.355 0.000 0.806 207 L CB -0.790 41.409 42.059 0.233 0.000 1.610 207 L HN 0.849 nan 8.230 nan 0.000 0.867 208 R N 0.074 120.513 120.500 -0.103 0.000 2.148 208 R HA 0.183 4.523 4.340 -0.001 0.000 0.223 208 R C 1.281 177.520 176.300 -0.102 0.000 1.088 208 R CA 0.945 56.782 56.100 -0.439 0.000 0.985 208 R CB 0.043 29.560 30.300 -1.304 0.000 0.880 208 R HN 0.632 nan 8.270 nan 0.000 0.451 209 A N 1.436 124.369 122.820 0.188 0.000 3.091 209 A HA 0.290 4.609 4.320 -0.001 0.000 0.264 209 A C -0.326 177.557 177.584 0.497 0.000 1.673 209 A CA 0.049 52.305 52.037 0.364 0.000 1.362 209 A CB 0.042 19.349 19.000 0.512 0.000 1.137 209 A HN 0.118 nan 8.150 nan 0.000 0.617 210 S N 0.023 115.968 115.700 0.408 0.000 2.678 210 S HA 0.332 4.801 4.470 -0.001 0.000 0.290 210 S C -1.114 173.605 174.600 0.197 0.000 1.047 210 S CA 0.066 58.485 58.200 0.365 0.000 0.851 210 S CB 0.681 64.071 63.200 0.316 0.000 1.058 210 S HN 1.643 nan 8.310 nan 0.000 0.451 211 V N 2.732 122.704 119.914 0.097 0.000 2.394 211 V HA 0.906 5.025 4.120 -0.001 0.000 0.282 211 V C -0.471 175.682 176.094 0.099 0.000 1.031 211 V CA 0.188 62.542 62.300 0.089 0.000 0.881 211 V CB 1.051 32.910 31.823 0.060 0.000 0.982 211 V HN 0.914 nan 8.190 nan 0.000 0.451 212 T N 5.418 120.048 114.554 0.126 0.000 2.792 212 T HA 0.669 5.018 4.350 -0.001 0.000 0.280 212 T C -0.173 174.592 174.700 0.107 0.000 0.990 212 T CA -0.380 61.820 62.100 0.167 0.000 0.960 212 T CB 1.454 70.486 68.868 0.273 0.000 0.939 212 T HN 0.909 nan 8.240 nan 0.000 0.439 213 S N 1.770 117.514 115.700 0.073 0.000 2.709 213 S HA 0.607 5.076 4.470 -0.001 0.000 0.302 213 S C -0.851 173.705 174.600 -0.072 0.000 1.127 213 S CA -1.082 57.116 58.200 -0.003 0.000 0.905 213 S CB 2.093 65.293 63.200 0.001 0.000 1.151 213 S HN 0.787 nan 8.310 nan 0.000 0.510 214 E N 1.064 121.186 120.200 -0.130 0.000 2.158 214 E HA 0.486 4.835 4.350 -0.001 0.000 0.271 214 E C -1.552 174.937 176.600 -0.184 0.000 0.911 214 E CA -0.505 55.780 56.400 -0.190 0.000 0.767 214 E CB 0.698 30.261 29.700 -0.229 0.000 1.120 214 E HN 0.472 nan 8.360 nan 0.000 0.405 215 L N 4.127 125.229 121.223 -0.202 0.000 2.307 215 L HA 0.491 4.830 4.340 -0.001 0.000 0.284 215 L C -0.740 175.925 176.870 -0.341 0.000 1.023 215 L CA -1.086 53.559 54.840 -0.326 0.000 0.810 215 L CB 1.700 43.584 42.059 -0.291 0.000 1.231 215 L HN 0.342 nan 8.230 nan 0.000 0.423 216 V N 5.018 124.672 119.914 -0.434 0.000 2.376 216 V HA 0.354 4.474 4.120 -0.001 0.000 0.287 216 V C -0.292 175.584 176.094 -0.364 0.000 1.015 216 V CA -0.394 61.717 62.300 -0.314 0.000 0.834 216 V CB 1.816 33.508 31.823 -0.219 0.000 1.001 216 V HN 0.454 nan 8.190 nan 0.000 0.428 217 L N 4.559 125.628 121.223 -0.256 0.000 2.262 217 L HA 0.524 4.864 4.340 -0.001 0.000 0.288 217 L C 0.219 177.036 176.870 -0.088 0.000 1.035 217 L CA 0.230 54.976 54.840 -0.156 0.000 0.820 217 L CB 1.260 43.271 42.059 -0.079 0.000 1.204 217 L HN 0.622 nan 8.230 nan 0.000 0.424 218 E N 2.780 122.945 120.200 -0.058 0.000 2.149 218 E HA 0.238 4.587 4.350 -0.001 0.000 0.255 218 E C -0.439 176.149 176.600 -0.020 0.000 0.888 218 E CA -0.408 55.967 56.400 -0.042 0.000 0.742 218 E CB 0.561 30.235 29.700 -0.043 0.000 1.164 218 E HN 0.476 nan 8.360 nan 0.000 0.422 219 E N 1.301 121.487 120.200 -0.024 0.000 2.360 219 E HA -0.162 4.187 4.350 -0.001 0.000 0.238 219 E C -1.318 175.277 176.600 -0.008 0.000 1.186 219 E CA 0.296 56.686 56.400 -0.018 0.000 0.719 219 E CB -1.099 28.592 29.700 -0.015 0.000 1.236 219 E HN 0.250 nan 8.360 nan 0.000 0.386 220 V N 2.180 122.090 119.914 -0.006 0.000 2.470 220 V HA 0.143 4.262 4.120 -0.001 0.000 0.276 220 V C 1.006 177.088 176.094 -0.019 0.000 1.040 220 V CA 0.138 62.444 62.300 0.011 0.000 1.008 220 V CB 0.997 32.856 31.823 0.060 0.000 0.990 220 V HN 0.150 nan 8.190 nan 0.000 0.477 221 R N 4.369 124.865 120.500 -0.007 0.000 2.234 221 R HA 0.561 4.901 4.340 -0.001 0.000 0.324 221 R C -1.081 175.220 176.300 0.002 0.000 1.054 221 R CA -0.367 55.733 56.100 -0.000 0.000 0.912 221 R CB 1.274 31.578 30.300 0.006 0.000 1.030 221 R HN 0.476 nan 8.270 nan 0.000 0.455 222 V N 4.820 124.751 119.914 0.029 0.000 2.577 222 V HA 0.309 4.429 4.120 -0.001 0.000 0.303 222 V C -1.998 174.199 176.094 0.173 0.000 1.042 222 V CA -2.120 60.212 62.300 0.053 0.000 0.872 222 V CB 2.217 34.023 31.823 -0.028 0.000 0.998 222 V HN 0.658 nan 8.190 nan 0.000 0.423 223 P HA 0.101 nan 4.420 nan 0.000 0.272 223 P C 0.444 177.910 177.300 0.277 0.000 1.230 223 P CA 0.058 63.264 63.100 0.177 0.000 0.788 223 P CB 1.535 33.300 31.700 0.108 0.000 0.949 224 E N 1.864 122.247 120.200 0.305 0.000 2.153 224 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 224 E C 1.729 178.445 176.600 0.193 0.000 0.988 224 E CA 1.910 58.530 56.400 0.367 0.000 0.811 224 E CB -0.857 29.017 29.700 0.289 0.000 0.746 224 E HN 0.416 nan 8.360 nan 0.000 0.466 225 S N -0.710 115.071 115.700 0.135 0.000 2.595 225 S HA -0.069 4.400 4.470 -0.001 0.000 0.235 225 S C 1.279 175.932 174.600 0.089 0.000 0.974 225 S CA 0.516 58.769 58.200 0.088 0.000 0.942 225 S CB -0.048 63.192 63.200 0.067 0.000 0.766 225 S HN 0.260 nan 8.310 nan 0.000 0.536 226 L N 0.788 122.074 121.223 0.105 0.000 2.808 226 L HA 0.487 4.827 4.340 -0.001 0.000 0.246 226 L C 0.659 177.541 176.870 0.020 0.000 1.153 226 L CA 0.027 54.921 54.840 0.089 0.000 0.956 226 L CB -0.015 42.102 42.059 0.096 0.000 1.270 226 L HN 0.260 nan 8.230 nan 0.000 0.528 227 R N 0.053 120.535 120.500 -0.030 0.000 2.368 227 R HA 0.338 4.677 4.340 -0.001 0.000 0.302 227 R C -0.738 175.407 176.300 -0.259 0.000 1.002 227 R CA -0.866 55.064 56.100 -0.283 0.000 0.929 227 R CB 0.859 30.910 30.300 -0.414 0.000 1.073 227 R HN -0.130 nan 8.270 nan 0.000 0.464 228 L N 8.307 129.309 121.223 -0.369 0.000 2.565 228 L HA 0.124 4.464 4.340 -0.001 0.000 0.275 228 L C -1.354 175.400 176.870 -0.194 0.000 1.137 228 L CA -1.703 53.004 54.840 -0.222 0.000 0.915 228 L CB 0.977 42.899 42.059 -0.228 0.000 1.232 228 L HN 0.666 nan 8.230 nan 0.000 0.473 229 P HA -0.223 nan 4.420 nan 0.000 0.214 229 P C 0.951 178.220 177.300 -0.050 0.000 1.163 229 P CA 1.540 64.601 63.100 -0.065 0.000 0.889 229 P CB 0.399 32.083 31.700 -0.027 0.000 0.790 230 K N -0.373 120.026 120.400 -0.000 0.000 2.486 230 K HA 0.181 4.501 4.320 -0.001 0.000 0.194 230 K C 1.063 177.623 176.600 -0.066 0.000 1.033 230 K CA 0.199 56.511 56.287 0.041 0.000 1.004 230 K CB -0.437 32.165 32.500 0.170 0.000 0.798 230 K HN 0.077 nan 8.250 nan 0.000 0.495 231 A N 1.435 124.152 122.820 -0.172 0.000 2.545 231 A HA 0.273 4.592 4.320 -0.001 0.000 0.297 231 A C -0.903 176.542 177.584 -0.231 0.000 1.340 231 A CA 0.036 51.852 52.037 -0.368 0.000 1.016 231 A CB -0.345 18.520 19.000 -0.226 0.000 1.122 231 A HN 0.060 nan 8.150 nan 0.000 0.537 232 L N 2.222 123.306 121.223 -0.231 0.000 2.404 232 L HA 0.758 5.097 4.340 -0.001 0.000 0.272 232 L C 0.574 177.379 176.870 -0.110 0.000 0.980 232 L CA 0.716 55.481 54.840 -0.124 0.000 0.836 232 L CB 0.920 42.928 42.059 -0.085 0.000 1.238 232 L HN 1.293 nan 8.230 nan 0.000 0.408 233 G N 1.893 110.657 108.800 -0.059 0.000 2.746 233 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.685 233 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.685 233 G C 0.652 175.498 174.900 -0.090 0.000 1.350 233 G CA -0.233 44.833 45.100 -0.058 0.000 0.837 233 G HN 0.647 nan 8.290 nan 0.000 0.564 234 L N 0.447 121.618 121.223 -0.086 0.000 2.127 234 L HA -0.124 4.215 4.340 -0.001 0.000 0.211 234 L C 3.072 179.838 176.870 -0.172 0.000 1.089 234 L CA 2.720 57.491 54.840 -0.115 0.000 0.757 234 L CB -0.350 41.647 42.059 -0.104 0.000 0.899 234 L HN 0.882 nan 8.230 nan 0.000 0.434 235 K N -0.524 119.792 120.400 -0.140 0.000 2.211 235 K HA -0.158 4.161 4.320 -0.001 0.000 0.204 235 K C 1.865 178.400 176.600 -0.108 0.000 1.047 235 K CA 1.301 57.526 56.287 -0.103 0.000 0.935 235 K CB -0.396 32.066 32.500 -0.063 0.000 0.728 235 K HN 0.272 nan 8.250 nan 0.000 0.452 236 A N 2.742 125.419 122.820 -0.239 0.000 1.855 236 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 236 A C -0.106 177.314 177.584 -0.273 0.000 1.191 236 A CA 0.885 52.707 52.037 -0.357 0.000 0.613 236 A CB -1.234 17.427 19.000 -0.566 0.000 0.829 236 A HN 0.378 nan 8.150 nan 0.000 0.442 237 P HA -0.064 nan 4.420 nan 0.000 0.222 237 P C 1.551 178.740 177.300 -0.185 0.000 1.153 237 P CA 0.739 63.359 63.100 -0.800 0.000 0.798 237 P CB -0.118 30.619 31.700 -1.605 0.000 0.796 238 L N 0.637 121.760 121.223 -0.167 0.000 2.027 238 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 238 L C 2.895 179.760 176.870 -0.009 0.000 1.074 238 L CA 2.178 56.975 54.840 -0.072 0.000 0.745 238 L CB -1.324 40.688 42.059 -0.077 0.000 0.898 238 L HN 0.103 nan 8.230 nan 0.000 0.433 239 S N -1.014 114.725 115.700 0.066 0.000 2.400 239 S HA -0.216 4.254 4.470 -0.001 0.000 0.232 239 S C 2.066 176.683 174.600 0.028 0.000 1.025 239 S CA 1.340 59.611 58.200 0.119 0.000 0.993 239 S CB -1.102 62.303 63.200 0.342 0.000 0.808 239 S HN 0.437 nan 8.310 nan 0.000 0.478 240 C N 1.486 120.868 119.300 0.137 0.000 2.446 240 C HA 0.163 4.622 4.460 -0.001 0.000 0.277 240 C C 2.708 177.593 174.990 -0.175 0.000 1.275 240 C CA 0.395 59.438 59.018 0.042 0.000 1.727 240 C CB -1.591 26.306 27.740 0.262 0.000 2.010 240 C HN 0.583 nan 8.230 nan 0.000 0.486 241 L N 0.472 121.606 121.223 -0.148 0.000 2.046 241 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 241 L C 2.701 179.519 176.870 -0.086 0.000 1.077 241 L CA 1.721 56.469 54.840 -0.154 0.000 0.747 241 L CB -1.350 40.657 42.059 -0.086 0.000 0.896 241 L HN 0.355 nan 8.230 nan 0.000 0.432 242 T N -0.966 113.550 114.554 -0.063 0.000 2.720 242 T HA -0.211 4.139 4.350 -0.001 0.000 0.268 242 T C 1.950 176.628 174.700 -0.038 0.000 1.037 242 T CA 1.153 63.234 62.100 -0.033 0.000 1.144 242 T CB -0.141 68.706 68.868 -0.036 0.000 0.864 242 T HN 0.306 nan 8.240 nan 0.000 0.444 243 Q N 0.800 120.504 119.800 -0.159 0.000 2.020 243 Q HA -0.025 4.314 4.340 -0.001 0.000 0.202 243 Q C 2.814 178.850 176.000 0.061 0.000 0.982 243 Q CA 1.720 57.431 55.803 -0.153 0.000 0.838 243 Q CB -0.824 27.626 28.738 -0.481 0.000 0.899 243 Q HN 0.588 nan 8.270 nan 0.000 0.423 244 A N 1.335 124.137 122.820 -0.031 0.000 1.877 244 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 244 A C 2.166 179.767 177.584 0.029 0.000 1.186 244 A CA 1.582 53.616 52.037 -0.005 0.000 0.620 244 A CB -0.521 18.389 19.000 -0.149 0.000 0.822 244 A HN 0.287 nan 8.150 nan 0.000 0.443 245 R N -1.919 118.595 120.500 0.023 0.000 2.152 245 R HA -0.109 4.230 4.340 -0.001 0.000 0.232 245 R C 1.902 178.239 176.300 0.062 0.000 1.117 245 R CA 1.406 57.526 56.100 0.033 0.000 0.981 245 R CB -0.478 29.836 30.300 0.024 0.000 0.870 245 R HN 0.637 nan 8.270 nan 0.000 0.451 246 F N 0.768 120.717 119.950 -0.002 0.000 2.075 246 F HA -0.071 4.455 4.527 -0.001 0.000 0.297 246 F C 2.236 178.098 175.800 0.104 0.000 1.113 246 F CA 1.874 59.906 58.000 0.053 0.000 1.218 246 F CB -0.829 38.214 39.000 0.071 0.000 0.984 246 F HN -0.025 nan 8.300 nan 0.000 0.472 247 G N 0.762 109.487 108.800 -0.125 0.000 2.422 247 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.218 247 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.218 247 G C 1.820 176.611 174.900 -0.181 0.000 1.146 247 G CA 1.189 46.029 45.100 -0.432 0.000 0.769 247 G HN 0.505 nan 8.290 nan 0.000 0.547 248 I N 1.283 121.810 120.570 -0.072 0.000 2.315 248 I HA -0.155 4.015 4.170 -0.001 0.000 0.248 248 I C 3.246 179.347 176.117 -0.028 0.000 1.117 248 I CA 0.843 62.141 61.300 -0.004 0.000 1.404 248 I CB -0.194 37.841 38.000 0.059 0.000 1.071 248 I HN 0.240 nan 8.210 nan 0.000 0.419 249 A N 0.123 122.886 122.820 -0.095 0.000 2.024 249 A HA -0.220 4.099 4.320 -0.001 0.000 0.220 249 A C 1.919 179.380 177.584 -0.204 0.000 1.164 249 A CA 1.408 53.339 52.037 -0.177 0.000 0.643 249 A CB -0.859 17.980 19.000 -0.268 0.000 0.806 249 A HN 0.540 nan 8.150 nan 0.000 0.451 250 W N -0.610 120.525 121.300 -0.274 0.000 2.480 250 W HA 0.160 4.819 4.660 -0.001 0.000 0.299 250 W C 2.575 179.056 176.519 -0.063 0.000 1.187 250 W CA 0.932 58.172 57.345 -0.176 0.000 1.347 250 W CB -0.772 28.515 29.460 -0.287 0.000 1.121 250 W HN 0.321 nan 8.180 nan 0.000 0.533 251 G N 0.425 109.304 108.800 0.131 0.000 2.442 251 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 251 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 251 G C 1.657 176.530 174.900 -0.044 0.000 1.141 251 G CA 1.532 46.642 45.100 0.017 0.000 0.763 251 G HN 0.300 nan 8.290 nan 0.000 0.554 252 A N 0.592 123.401 122.820 -0.020 0.000 1.917 252 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 252 A C 2.410 179.948 177.584 -0.077 0.000 1.182 252 A CA 2.091 54.103 52.037 -0.042 0.000 0.633 252 A CB -0.331 18.649 19.000 -0.032 0.000 0.819 252 A HN 0.319 nan 8.150 nan 0.000 0.448 253 M N -0.654 118.910 119.600 -0.059 0.000 2.229 253 M HA -0.074 4.406 4.480 -0.001 0.000 0.264 253 M C 2.255 178.464 176.300 -0.152 0.000 1.063 253 M CA 1.289 56.581 55.300 -0.012 0.000 1.114 253 M CB -1.740 30.889 32.600 0.048 0.000 1.387 253 M HN 0.490 nan 8.290 nan 0.000 0.420 254 G N -0.108 108.314 108.800 -0.630 0.000 2.402 254 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.216 254 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.216 254 G C 1.619 176.223 174.900 -0.494 0.000 1.162 254 G CA 0.960 45.395 45.100 -1.109 0.000 0.777 254 G HN 0.531 nan 8.290 nan 0.000 0.539 255 A N 0.161 122.770 122.820 -0.351 0.000 2.015 255 A HA 0.204 4.524 4.320 -0.001 0.000 0.219 255 A C 2.305 179.664 177.584 -0.374 0.000 1.163 255 A CA 1.092 52.861 52.037 -0.446 0.000 0.646 255 A CB -0.281 18.545 19.000 -0.290 0.000 0.806 255 A HN 0.382 nan 8.150 nan 0.000 0.448 256 L N -0.606 120.509 121.223 -0.179 0.000 2.072 256 L HA -0.158 4.182 4.340 -0.001 0.000 0.205 256 L C 2.572 179.420 176.870 -0.037 0.000 1.079 256 L CA 1.988 56.797 54.840 -0.052 0.000 0.752 256 L CB -0.263 41.845 42.059 0.081 0.000 0.906 256 L HN 0.663 nan 8.230 nan 0.000 0.436 257 E N -0.025 120.142 120.200 -0.055 0.000 2.077 257 E HA -0.267 4.082 4.350 -0.001 0.000 0.193 257 E C 2.039 178.628 176.600 -0.017 0.000 0.989 257 E CA 1.225 57.586 56.400 -0.065 0.000 0.800 257 E CB -0.084 29.605 29.700 -0.020 0.000 0.746 257 E HN 0.577 nan 8.360 nan 0.000 0.452 258 A N 1.145 123.885 122.820 -0.134 0.000 1.865 258 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 258 A C 2.509 180.045 177.584 -0.081 0.000 1.191 258 A CA 2.295 54.244 52.037 -0.148 0.000 0.623 258 A CB -1.173 17.629 19.000 -0.331 0.000 0.826 258 A HN 0.374 nan 8.150 nan 0.000 0.444 259 V N -3.032 116.810 119.914 -0.120 0.000 2.427 259 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 259 V C 2.331 178.434 176.094 0.014 0.000 1.051 259 V CA 2.082 64.363 62.300 -0.031 0.000 1.048 259 V CB -1.333 30.461 31.823 -0.048 0.000 0.666 259 V HN 0.573 nan 8.190 nan 0.000 0.456 260 Y N 1.851 122.094 120.300 -0.094 0.000 2.163 260 Y HA -0.100 4.450 4.550 -0.001 0.000 0.288 260 Y C 2.537 178.396 175.900 -0.069 0.000 1.136 260 Y CA 2.329 60.374 58.100 -0.092 0.000 1.147 260 Y CB -0.293 38.093 38.460 -0.124 0.000 0.987 260 Y HN 0.335 nan 8.280 nan 0.000 0.509 261 E N 0.695 120.858 120.200 -0.063 0.000 2.077 261 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 261 E C 2.181 178.708 176.600 -0.123 0.000 0.989 261 E CA 1.708 58.025 56.400 -0.139 0.000 0.800 261 E CB -0.330 29.374 29.700 0.007 0.000 0.746 261 E HN 0.738 nan 8.360 nan 0.000 0.452 262 E N -0.654 119.524 120.200 -0.037 0.000 2.152 262 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 262 E C 1.858 178.471 176.600 0.022 0.000 0.983 262 E CA 0.934 57.358 56.400 0.039 0.000 0.818 262 E CB -0.123 29.644 29.700 0.111 0.000 0.758 262 E HN 0.247 nan 8.360 nan 0.000 0.467 263 A N 1.194 123.968 122.820 -0.076 0.000 1.898 263 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 263 A C 2.443 179.982 177.584 -0.074 0.000 1.181 263 A CA 1.484 53.467 52.037 -0.091 0.000 0.620 263 A CB -0.864 18.060 19.000 -0.128 0.000 0.819 263 A HN 0.346 nan 8.150 nan 0.000 0.442 264 V N -1.973 117.808 119.914 -0.221 0.000 2.453 264 V HA 0.006 4.125 4.120 -0.001 0.000 0.247 264 V C 2.445 178.491 176.094 -0.080 0.000 1.048 264 V CA 1.914 64.093 62.300 -0.201 0.000 1.049 264 V CB -1.122 30.477 31.823 -0.373 0.000 0.672 264 V HN 0.515 nan 8.190 nan 0.000 0.457 265 A N 0.061 122.852 122.820 -0.049 0.000 1.883 265 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 265 A C 2.165 179.792 177.584 0.071 0.000 1.186 265 A CA 2.131 54.173 52.037 0.009 0.000 0.624 265 A CB -1.046 17.973 19.000 0.032 0.000 0.822 265 A HN 0.757 nan 8.150 nan 0.000 0.444 266 F N 0.771 120.704 119.950 -0.029 0.000 2.134 266 F HA -0.037 4.489 4.527 -0.001 0.000 0.299 266 F C 2.521 178.288 175.800 -0.054 0.000 1.097 266 F CA 1.331 59.321 58.000 -0.016 0.000 1.264 266 F CB -0.226 38.762 39.000 -0.020 0.000 1.001 266 F HN 0.253 nan 8.300 nan 0.000 0.479 267 A N 0.208 123.139 122.820 0.186 0.000 1.933 267 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 267 A C 2.166 179.728 177.584 -0.036 0.000 1.175 267 A CA 1.912 53.990 52.037 0.068 0.000 0.628 267 A CB -0.629 18.390 19.000 0.032 0.000 0.814 267 A HN 0.477 nan 8.150 nan 0.000 0.444 268 K N 0.105 120.478 120.400 -0.046 0.000 2.155 268 K HA -0.063 4.256 4.320 -0.001 0.000 0.203 268 K C 2.093 178.642 176.600 -0.086 0.000 1.052 268 K CA 1.385 57.636 56.287 -0.060 0.000 0.948 268 K CB -0.070 32.400 32.500 -0.050 0.000 0.728 268 K HN 0.632 nan 8.250 nan 0.000 0.448 269 S N 0.039 115.665 115.700 -0.124 0.000 2.548 269 S HA 0.116 4.586 4.470 -0.001 0.000 0.215 269 S C 0.673 175.140 174.600 -0.222 0.000 0.976 269 S CA -0.333 57.774 58.200 -0.154 0.000 0.908 269 S CB 0.213 63.324 63.200 -0.148 0.000 0.781 269 S HN -0.005 nan 8.310 nan 0.000 0.519 270 R N 1.390 121.721 120.500 -0.280 0.000 2.664 270 R HA 0.698 5.037 4.340 -0.001 0.000 0.286 270 R C -0.895 175.302 176.300 -0.172 0.000 0.967 270 R CA -0.085 55.836 56.100 -0.298 0.000 0.933 270 R CB 1.929 31.928 30.300 -0.503 0.000 1.146 270 R HN 0.230 nan 8.270 nan 0.000 0.468 271 S N 0.863 116.478 115.700 -0.142 0.000 2.546 271 S HA 0.609 5.079 4.470 -0.001 0.000 0.274 271 S C -0.533 174.004 174.600 -0.106 0.000 1.121 271 S CA -0.505 57.637 58.200 -0.096 0.000 0.887 271 S CB 1.988 65.139 63.200 -0.082 0.000 1.094 271 S HN 0.570 nan 8.310 nan 0.000 0.474 272 T N 1.950 116.456 114.554 -0.079 0.000 2.312 272 T HA 0.338 4.688 4.350 -0.001 0.000 0.175 272 T C 0.080 174.643 174.700 -0.227 0.000 0.727 272 T CA -0.151 61.845 62.100 -0.173 0.000 1.333 272 T CB -0.671 68.144 68.868 -0.088 0.000 2.928 272 T HN 0.569 nan 8.240 nan 0.000 0.403 273 F N 2.466 122.400 119.950 -0.027 0.000 2.707 273 F HA 0.332 4.859 4.527 -0.001 0.000 0.301 273 F C 1.629 177.414 175.800 -0.024 0.000 1.314 273 F CA 0.201 58.187 58.000 -0.023 0.000 1.443 273 F CB -1.239 37.749 39.000 -0.020 0.000 1.124 273 F HN 0.654 nan 8.300 nan 0.000 0.521 274 G N 0.535 109.350 108.800 0.026 0.000 2.314 274 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.292 274 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.292 274 G C 0.124 175.035 174.900 0.018 0.000 1.059 274 G CA 0.289 45.395 45.100 0.009 0.000 0.982 274 G HN 0.483 nan 8.290 nan 0.000 0.505 275 E N -1.000 119.212 120.200 0.020 0.000 2.580 275 E HA 0.627 4.976 4.350 -0.001 0.000 0.178 275 E C -2.906 173.690 176.600 -0.008 0.000 0.738 275 E CA -1.832 54.573 56.400 0.009 0.000 0.967 275 E CB 1.046 30.758 29.700 0.020 0.000 1.942 275 E HN 0.248 nan 8.360 nan 0.000 0.376 276 P HA 0.240 nan 4.420 nan 0.000 0.296 276 P C 0.084 177.372 177.300 -0.021 0.000 1.297 276 P CA -0.646 62.434 63.100 -0.034 0.000 0.947 276 P CB 1.267 32.944 31.700 -0.040 0.000 1.366 277 L N 0.633 121.837 121.223 -0.033 0.000 2.056 277 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 277 L C 2.167 179.034 176.870 -0.004 0.000 1.078 277 L CA 2.048 56.885 54.840 -0.006 0.000 0.749 277 L CB -2.116 39.943 42.059 -0.000 0.000 0.901 277 L HN 0.420 nan 8.230 nan 0.000 0.433 278 A N -1.336 121.473 122.820 -0.019 0.000 2.131 278 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 278 A C 2.348 179.918 177.584 -0.023 0.000 1.158 278 A CA 1.700 53.722 52.037 -0.025 0.000 0.665 278 A CB -0.555 18.423 19.000 -0.037 0.000 0.795 278 A HN 0.429 nan 8.150 nan 0.000 0.460 279 K N -0.555 119.836 120.400 -0.015 0.000 2.393 279 K HA 0.023 4.343 4.320 -0.001 0.000 0.193 279 K C -0.218 176.377 176.600 -0.009 0.000 1.026 279 K CA -0.025 56.255 56.287 -0.013 0.000 1.064 279 K CB 0.122 32.617 32.500 -0.008 0.000 0.833 279 K HN 0.132 nan 8.250 nan 0.000 0.521 280 K N 1.405 121.802 120.400 -0.004 0.000 2.298 280 K HA 0.032 4.351 4.320 -0.001 0.000 0.280 280 K C 0.771 177.359 176.600 -0.018 0.000 1.032 280 K CA 0.199 56.483 56.287 -0.004 0.000 0.958 280 K CB 1.153 33.660 32.500 0.011 0.000 0.978 280 K HN 0.159 nan 8.250 nan 0.000 0.472 281 Q N 1.276 121.061 119.800 -0.024 0.000 2.124 281 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 281 Q C 1.750 177.728 176.000 -0.037 0.000 0.977 281 Q CA 1.370 57.154 55.803 -0.032 0.000 0.850 281 Q CB -0.011 28.707 28.738 -0.033 0.000 0.901 281 Q HN 0.474 nan 8.270 nan 0.000 0.429 282 L N 0.133 121.336 121.223 -0.033 0.000 2.141 282 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 282 L C 2.424 179.269 176.870 -0.041 0.000 1.094 282 L CA 0.735 55.553 54.840 -0.037 0.000 0.763 282 L CB -0.492 41.549 42.059 -0.030 0.000 0.908 282 L HN 0.215 nan 8.230 nan 0.000 0.437 283 V N -3.791 116.104 119.914 -0.032 0.000 2.535 283 V HA -0.146 3.974 4.120 -0.001 0.000 0.246 283 V C 2.151 178.215 176.094 -0.051 0.000 1.045 283 V CA 0.840 63.120 62.300 -0.035 0.000 1.058 283 V CB -0.583 31.231 31.823 -0.014 0.000 0.689 283 V HN 0.395 nan 8.190 nan 0.000 0.461 284 Q N 0.877 120.648 119.800 -0.049 0.000 2.096 284 Q HA -0.135 4.204 4.340 -0.001 0.000 0.204 284 Q C 2.514 178.466 176.000 -0.079 0.000 0.982 284 Q CA 2.035 57.803 55.803 -0.058 0.000 0.850 284 Q CB -0.464 28.245 28.738 -0.049 0.000 0.901 284 Q HN 0.780 nan 8.270 nan 0.000 0.422 285 A N 1.533 124.304 122.820 -0.082 0.000 1.908 285 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 285 A C 1.942 179.436 177.584 -0.149 0.000 1.181 285 A CA 1.638 53.611 52.037 -0.107 0.000 0.627 285 A CB -0.313 18.633 19.000 -0.090 0.000 0.818 285 A HN 0.217 nan 8.150 nan 0.000 0.445 286 K N -0.427 119.896 120.400 -0.130 0.000 2.097 286 K HA -0.008 4.312 4.320 -0.001 0.000 0.205 286 K C 1.835 178.336 176.600 -0.164 0.000 1.050 286 K CA 1.336 57.529 56.287 -0.156 0.000 0.938 286 K CB -0.342 32.095 32.500 -0.106 0.000 0.718 286 K HN 0.482 nan 8.250 nan 0.000 0.442 287 L N 0.381 121.542 121.223 -0.104 0.000 2.072 287 L HA -0.108 4.232 4.340 -0.001 0.000 0.205 287 L C 2.631 179.457 176.870 -0.073 0.000 1.079 287 L CA 0.952 55.775 54.840 -0.029 0.000 0.752 287 L CB -0.662 41.379 42.059 -0.031 0.000 0.906 287 L HN 0.174 nan 8.230 nan 0.000 0.436 288 A N 0.255 122.990 122.820 -0.141 0.000 1.917 288 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 288 A C 2.194 179.585 177.584 -0.323 0.000 1.182 288 A CA 2.208 54.125 52.037 -0.201 0.000 0.633 288 A CB -0.535 18.363 19.000 -0.170 0.000 0.819 288 A HN 0.413 nan 8.150 nan 0.000 0.448 289 E N -0.384 119.563 120.200 -0.422 0.000 2.077 289 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 289 E C 2.013 178.062 176.600 -0.918 0.000 0.989 289 E CA 1.625 57.559 56.400 -0.776 0.000 0.800 289 E CB -0.322 28.838 29.700 -0.899 0.000 0.746 289 E HN 0.642 nan 8.360 nan 0.000 0.452 290 M N -0.481 118.798 119.600 -0.535 0.000 2.159 290 M HA -0.132 4.347 4.480 -0.001 0.000 0.263 290 M C 2.098 178.205 176.300 -0.322 0.000 1.063 290 M CA 0.991 56.124 55.300 -0.279 0.000 1.110 290 M CB -0.191 32.408 32.600 -0.002 0.000 1.374 290 M HN 0.222 nan 8.290 nan 0.000 0.411 291 L N 0.404 121.377 121.223 -0.417 0.000 2.072 291 L HA 0.003 4.343 4.340 -0.001 0.000 0.205 291 L C 2.526 179.203 176.870 -0.321 0.000 1.079 291 L CA 1.833 56.361 54.840 -0.520 0.000 0.752 291 L CB -0.790 40.951 42.059 -0.531 0.000 0.906 291 L HN 0.171 nan 8.230 nan 0.000 0.436 292 A N -0.912 121.718 122.820 -0.315 0.000 1.877 292 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 292 A C 2.047 179.599 177.584 -0.054 0.000 1.186 292 A CA 1.840 53.749 52.037 -0.212 0.000 0.620 292 A CB -1.198 17.646 19.000 -0.259 0.000 0.822 292 A HN 0.637 nan 8.150 nan 0.000 0.443 293 W N -0.384 120.838 121.300 -0.129 0.000 2.358 293 W HA -0.131 4.529 4.660 -0.001 0.000 0.303 293 W C 2.375 178.825 176.519 -0.115 0.000 1.208 293 W CA 1.121 58.397 57.345 -0.116 0.000 1.274 293 W CB -1.383 28.007 29.460 -0.117 0.000 1.138 293 W HN 0.661 nan 8.180 nan 0.000 0.515 294 H N -0.179 118.903 119.070 0.020 0.000 2.353 294 H HA -0.124 4.432 4.556 -0.001 0.000 0.300 294 H C 1.675 176.952 175.328 -0.084 0.000 1.090 294 H CA 2.438 58.450 56.048 -0.059 0.000 1.327 294 H CB -0.202 29.463 29.762 -0.162 0.000 1.383 294 H HN -0.041 nan 8.280 nan 0.000 0.508 295 T N 0.839 115.379 114.554 -0.023 0.000 2.746 295 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 295 T C 1.849 176.419 174.700 -0.218 0.000 1.039 295 T CA 1.498 63.505 62.100 -0.155 0.000 1.142 295 T CB -0.095 68.594 68.868 -0.297 0.000 0.866 295 T HN 0.503 nan 8.240 nan 0.000 0.444 296 E N 0.453 120.569 120.200 -0.141 0.000 2.072 296 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 296 E C 2.587 179.112 176.600 -0.125 0.000 0.985 296 E CA 0.891 57.233 56.400 -0.097 0.000 0.801 296 E CB -0.355 29.342 29.700 -0.004 0.000 0.750 296 E HN 0.524 nan 8.360 nan 0.000 0.452 297 G N 1.187 109.891 108.800 -0.160 0.000 2.422 297 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 297 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 297 G C 1.570 176.269 174.900 -0.334 0.000 1.146 297 G CA 0.298 45.259 45.100 -0.231 0.000 0.769 297 G HN 0.083 nan 8.290 nan 0.000 0.547 298 L N -0.231 120.771 121.223 -0.368 0.000 2.083 298 L HA 0.024 4.364 4.340 -0.001 0.000 0.209 298 L C 2.899 179.621 176.870 -0.248 0.000 1.083 298 L CA 0.547 55.154 54.840 -0.389 0.000 0.752 298 L CB -0.286 41.587 42.059 -0.310 0.000 0.899 298 L HN 0.221 nan 8.230 nan 0.000 0.433 299 L N -0.724 120.423 121.223 -0.127 0.000 2.056 299 L HA -0.234 4.106 4.340 -0.001 0.000 0.207 299 L C 2.507 179.428 176.870 0.086 0.000 1.078 299 L CA 1.061 55.931 54.840 0.051 0.000 0.749 299 L CB -0.322 41.761 42.059 0.039 0.000 0.901 299 L HN 0.255 nan 8.230 nan 0.000 0.433 300 L N -0.518 120.665 121.223 -0.067 0.000 1.989 300 L HA -0.241 4.099 4.340 -0.001 0.000 0.211 300 L C 2.904 179.663 176.870 -0.186 0.000 1.071 300 L CA 1.412 56.194 54.840 -0.095 0.000 0.749 300 L CB -0.833 41.143 42.059 -0.138 0.000 0.890 300 L HN 0.264 nan 8.230 nan 0.000 0.431 301 A N -0.455 122.102 122.820 -0.437 0.000 1.908 301 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 301 A C 2.002 179.277 177.584 -0.516 0.000 1.181 301 A CA 1.959 53.468 52.037 -0.881 0.000 0.627 301 A CB -1.143 16.743 19.000 -1.857 0.000 0.818 301 A HN 0.677 nan 8.150 nan 0.000 0.445 302 W N 0.759 121.796 121.300 -0.438 0.000 2.379 302 W HA -0.196 4.464 4.660 -0.001 0.000 0.307 302 W C 2.196 178.782 176.519 0.112 0.000 1.200 302 W CA 2.125 59.481 57.345 0.017 0.000 1.297 302 W CB -0.256 29.201 29.460 -0.005 0.000 1.140 302 W HN 0.254 nan 8.180 nan 0.000 0.507 303 R N 0.718 121.057 120.500 -0.269 0.000 2.091 303 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 303 R C 2.021 178.120 176.300 -0.334 0.000 1.136 303 R CA 2.045 57.798 56.100 -0.579 0.000 0.959 303 R CB -1.356 28.889 30.300 -0.091 0.000 0.856 303 R HN 0.357 nan 8.270 nan 0.000 0.437 304 L N 0.084 121.253 121.223 -0.090 0.000 2.141 304 L HA 0.082 4.422 4.340 -0.001 0.000 0.209 304 L C 2.191 179.174 176.870 0.188 0.000 1.094 304 L CA 1.904 56.791 54.840 0.079 0.000 0.763 304 L CB -0.859 41.325 42.059 0.208 0.000 0.908 304 L HN 0.318 nan 8.230 nan 0.000 0.437 305 A N -0.923 122.099 122.820 0.335 0.000 1.898 305 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 305 A C 2.332 179.900 177.584 -0.026 0.000 1.181 305 A CA 1.211 53.467 52.037 0.366 0.000 0.620 305 A CB -0.332 19.030 19.000 0.604 0.000 0.819 305 A HN 0.274 nan 8.150 nan 0.000 0.442 306 R N -0.237 120.130 120.500 -0.221 0.000 2.066 306 R HA 0.043 4.383 4.340 -0.001 0.000 0.232 306 R C 2.099 178.296 176.300 -0.171 0.000 1.131 306 R CA 1.099 57.055 56.100 -0.240 0.000 0.955 306 R CB -1.304 28.742 30.300 -0.422 0.000 0.851 306 R HN 0.570 nan 8.270 nan 0.000 0.432 307 L N 1.007 122.123 121.223 -0.178 0.000 2.079 307 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 307 L C 2.689 179.491 176.870 -0.114 0.000 1.081 307 L CA 1.462 56.229 54.840 -0.121 0.000 0.752 307 L CB -0.405 41.594 42.059 -0.099 0.000 0.896 307 L HN 0.212 nan 8.230 nan 0.000 0.433 308 K N 0.016 120.324 120.400 -0.152 0.000 2.026 308 K HA -0.203 4.116 4.320 -0.001 0.000 0.208 308 K C 1.683 178.188 176.600 -0.157 0.000 1.048 308 K CA 1.766 57.926 56.287 -0.212 0.000 0.929 308 K CB 0.004 32.237 32.500 -0.446 0.000 0.713 308 K HN 0.245 nan 8.250 nan 0.000 0.439 309 D N 0.819 121.140 120.400 -0.132 0.000 2.219 309 D HA -0.141 4.499 4.640 -0.001 0.000 0.205 309 D C 1.191 177.456 176.300 -0.058 0.000 0.970 309 D CA 1.093 55.043 54.000 -0.084 0.000 0.851 309 D CB 0.049 40.813 40.800 -0.059 0.000 0.943 309 D HN 0.574 nan 8.370 nan 0.000 0.488 310 E N -0.066 120.098 120.200 -0.061 0.000 2.445 310 E HA 0.203 4.552 4.350 -0.001 0.000 0.189 310 E C 1.034 177.612 176.600 -0.036 0.000 1.069 310 E CA 0.385 56.760 56.400 -0.041 0.000 0.871 310 E CB -0.130 29.547 29.700 -0.038 0.000 0.991 310 E HN 0.067 nan 8.360 nan 0.000 0.481 311 G N 2.089 110.862 108.800 -0.045 0.000 2.225 311 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.267 311 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.267 311 G C 0.603 175.484 174.900 -0.032 0.000 1.024 311 G CA 0.792 45.872 45.100 -0.034 0.000 0.784 311 G HN 0.383 nan 8.290 nan 0.000 0.507 312 K N -1.189 119.186 120.400 -0.042 0.000 2.374 312 K HA 0.308 4.627 4.320 -0.001 0.000 0.202 312 K C 0.793 177.370 176.600 -0.037 0.000 1.040 312 K CA -0.588 55.679 56.287 -0.033 0.000 1.085 312 K CB 0.737 33.217 32.500 -0.032 0.000 0.873 312 K HN 0.313 nan 8.250 nan 0.000 0.539 313 L N 2.621 123.813 121.223 -0.052 0.000 2.410 313 L HA 0.072 4.412 4.340 -0.001 0.000 0.273 313 L C 0.124 176.976 176.870 -0.030 0.000 1.152 313 L CA 0.698 55.508 54.840 -0.049 0.000 0.855 313 L CB 0.653 42.663 42.059 -0.082 0.000 1.129 313 L HN 0.135 nan 8.230 nan 0.000 0.463 314 T N 1.949 116.493 114.554 -0.017 0.000 2.940 314 T HA 0.576 4.926 4.350 -0.001 0.000 0.288 314 T C -2.024 172.677 174.700 0.001 0.000 1.033 314 T CA -1.804 60.292 62.100 -0.006 0.000 1.033 314 T CB 1.617 70.484 68.868 -0.002 0.000 1.079 314 T HN 0.466 nan 8.240 nan 0.000 0.496 315 P HA -0.003 nan 4.420 nan 0.000 0.216 315 P C 1.613 178.930 177.300 0.029 0.000 1.150 315 P CA 1.406 64.517 63.100 0.018 0.000 0.837 315 P CB -0.199 31.511 31.700 0.017 0.000 0.786 316 A N -0.365 122.470 122.820 0.025 0.000 1.930 316 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 316 A C 2.213 179.803 177.584 0.011 0.000 1.175 316 A CA 1.489 53.543 52.037 0.029 0.000 0.627 316 A CB -1.210 17.805 19.000 0.025 0.000 0.815 316 A HN 0.204 nan 8.150 nan 0.000 0.443 317 Q N -0.516 119.287 119.800 0.004 0.000 2.084 317 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 317 Q C 2.126 178.121 176.000 -0.009 0.000 0.978 317 Q CA 1.618 57.418 55.803 -0.004 0.000 0.844 317 Q CB -0.371 28.366 28.738 -0.003 0.000 0.898 317 Q HN 0.491 nan 8.270 nan 0.000 0.426 318 V N 0.412 120.330 119.914 0.007 0.000 2.343 318 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 318 V C 2.215 178.268 176.094 -0.067 0.000 1.051 318 V CA 1.823 64.128 62.300 0.010 0.000 1.036 318 V CB -0.497 31.353 31.823 0.045 0.000 0.654 318 V HN 0.292 nan 8.190 nan 0.000 0.451 319 S N -0.032 115.636 115.700 -0.053 0.000 2.370 319 S HA -0.214 4.256 4.470 -0.001 0.000 0.226 319 S C 1.877 176.344 174.600 -0.221 0.000 1.033 319 S CA 1.915 60.037 58.200 -0.131 0.000 1.011 319 S CB -0.430 62.840 63.200 0.117 0.000 0.852 319 S HN 0.460 nan 8.310 nan 0.000 0.457 320 L N 1.832 122.988 121.223 -0.112 0.000 1.994 320 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 320 L C 2.333 179.123 176.870 -0.134 0.000 1.071 320 L CA 2.138 56.914 54.840 -0.107 0.000 0.745 320 L CB -1.113 40.910 42.059 -0.060 0.000 0.892 320 L HN 0.236 nan 8.230 nan 0.000 0.431 321 A N -0.745 121.998 122.820 -0.129 0.000 1.898 321 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 321 A C 2.420 179.901 177.584 -0.173 0.000 1.181 321 A CA 1.755 53.705 52.037 -0.145 0.000 0.620 321 A CB -0.636 18.279 19.000 -0.141 0.000 0.819 321 A HN 0.429 nan 8.150 nan 0.000 0.442 322 K N 0.053 120.321 120.400 -0.220 0.000 2.025 322 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 322 K C 2.282 178.757 176.600 -0.208 0.000 1.049 322 K CA 1.461 57.609 56.287 -0.232 0.000 0.933 322 K CB -0.417 31.875 32.500 -0.347 0.000 0.714 322 K HN 0.466 nan 8.250 nan 0.000 0.438 323 R N 0.495 120.802 120.500 -0.321 0.000 2.082 323 R HA -0.157 4.183 4.340 -0.001 0.000 0.234 323 R C 2.143 178.428 176.300 -0.025 0.000 1.136 323 R CA 1.603 57.575 56.100 -0.214 0.000 0.935 323 R CB -0.149 29.961 30.300 -0.316 0.000 0.842 323 R HN 0.247 nan 8.270 nan 0.000 0.430 324 Q N 0.561 120.327 119.800 -0.056 0.000 2.020 324 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 324 Q C 1.911 177.892 176.000 -0.031 0.000 0.982 324 Q CA 1.881 57.680 55.803 -0.006 0.000 0.838 324 Q CB -0.660 28.043 28.738 -0.057 0.000 0.899 324 Q HN 0.561 nan 8.270 nan 0.000 0.423 325 N N -0.288 118.367 118.700 -0.074 0.000 2.106 325 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 325 N C 1.914 177.399 175.510 -0.042 0.000 1.029 325 N CA 1.225 54.218 53.050 -0.096 0.000 0.848 325 N CB 0.059 38.466 38.487 -0.133 0.000 1.007 325 N HN -0.021 nan 8.380 nan 0.000 0.423 326 V N 0.877 120.814 119.914 0.039 0.000 2.407 326 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 326 V C 1.824 178.037 176.094 0.199 0.000 1.055 326 V CA 1.357 63.728 62.300 0.119 0.000 1.049 326 V CB -0.668 31.271 31.823 0.194 0.000 0.662 326 V HN 0.554 nan 8.190 nan 0.000 0.455 327 W N 1.195 122.499 121.300 0.006 0.000 2.358 327 W HA -0.202 4.457 4.660 -0.001 0.000 0.303 327 W C 2.413 178.730 176.519 -0.337 0.000 1.208 327 W CA 1.454 58.749 57.345 -0.083 0.000 1.274 327 W CB 0.051 29.541 29.460 0.051 0.000 1.138 327 W HN 0.202 nan 8.180 nan 0.000 0.515 328 K N 0.169 120.296 120.400 -0.456 0.000 2.057 328 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 328 K C 2.265 178.597 176.600 -0.446 0.000 1.049 328 K CA 1.525 57.269 56.287 -0.905 0.000 0.931 328 K CB -0.513 31.515 32.500 -0.786 0.000 0.714 328 K HN 0.108 nan 8.250 nan 0.000 0.440 329 A N 1.230 123.923 122.820 -0.212 0.000 1.930 329 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 329 A C 2.074 179.578 177.584 -0.133 0.000 1.175 329 A CA 1.008 52.981 52.037 -0.106 0.000 0.627 329 A CB -0.413 18.549 19.000 -0.063 0.000 0.815 329 A HN 0.223 nan 8.150 nan 0.000 0.443 330 L N -0.086 121.027 121.223 -0.183 0.000 2.056 330 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 330 L C 2.411 179.095 176.870 -0.311 0.000 1.078 330 L CA 2.263 56.978 54.840 -0.210 0.000 0.749 330 L CB -0.787 41.135 42.059 -0.229 0.000 0.901 330 L HN 0.497 nan 8.230 nan 0.000 0.433 331 Q N -0.657 118.816 119.800 -0.545 0.000 2.124 331 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 331 Q C 2.227 178.167 176.000 -0.099 0.000 0.977 331 Q CA 1.588 57.097 55.803 -0.491 0.000 0.850 331 Q CB -0.361 27.874 28.738 -0.839 0.000 0.901 331 Q HN 0.690 nan 8.270 nan 0.000 0.429 332 A N 0.939 123.771 122.820 0.021 0.000 1.929 332 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 332 A C 2.273 179.858 177.584 0.003 0.000 1.176 332 A CA 1.347 53.453 52.037 0.115 0.000 0.628 332 A CB -0.633 18.472 19.000 0.174 0.000 0.816 332 A HN 0.379 nan 8.150 nan 0.000 0.444 333 A N 0.064 122.860 122.820 -0.041 0.000 1.933 333 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 333 A C 2.231 179.780 177.584 -0.058 0.000 1.175 333 A CA 1.511 53.522 52.037 -0.043 0.000 0.628 333 A CB -0.408 18.570 19.000 -0.036 0.000 0.814 333 A HN 0.552 nan 8.150 nan 0.000 0.444 334 R N -1.088 119.365 120.500 -0.078 0.000 2.092 334 R HA 0.031 4.370 4.340 -0.001 0.000 0.231 334 R C 2.244 178.500 176.300 -0.074 0.000 1.119 334 R CA 1.544 57.597 56.100 -0.080 0.000 0.970 334 R CB -0.361 29.881 30.300 -0.098 0.000 0.864 334 R HN 0.510 nan 8.270 nan 0.000 0.440 335 M N 0.043 119.606 119.600 -0.062 0.000 2.159 335 M HA -0.127 4.353 4.480 -0.001 0.000 0.263 335 M C 2.444 178.695 176.300 -0.082 0.000 1.063 335 M CA 1.680 56.943 55.300 -0.062 0.000 1.110 335 M CB -0.227 32.345 32.600 -0.047 0.000 1.374 335 M HN 0.276 nan 8.290 nan 0.000 0.411 336 A N -0.064 122.708 122.820 -0.081 0.000 1.898 336 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 336 A C 2.200 179.678 177.584 -0.176 0.000 1.181 336 A CA 1.248 53.216 52.037 -0.116 0.000 0.620 336 A CB -0.562 18.388 19.000 -0.082 0.000 0.819 336 A HN 0.292 nan 8.150 nan 0.000 0.442 337 R N 0.487 120.902 120.500 -0.142 0.000 2.083 337 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 337 R C 1.788 177.981 176.300 -0.177 0.000 1.137 337 R CA 2.182 58.184 56.100 -0.162 0.000 0.951 337 R CB -0.923 29.313 30.300 -0.106 0.000 0.851 337 R HN 0.583 nan 8.270 nan 0.000 0.434 338 D N 0.138 120.460 120.400 -0.129 0.000 2.123 338 D HA -0.140 4.499 4.640 -0.001 0.000 0.196 338 D C 2.077 178.302 176.300 -0.124 0.000 0.992 338 D CA 1.416 55.353 54.000 -0.105 0.000 0.833 338 D CB -0.196 40.559 40.800 -0.075 0.000 0.954 338 D HN 0.333 nan 8.370 nan 0.000 0.455 339 I N -0.040 120.440 120.570 -0.150 0.000 2.286 339 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 339 I C 2.292 178.239 176.117 -0.283 0.000 1.115 339 I CA 0.546 61.758 61.300 -0.146 0.000 1.392 339 I CB -0.127 37.794 38.000 -0.131 0.000 1.065 339 I HN 0.115 nan 8.210 nan 0.000 0.418 340 L N 0.178 121.070 121.223 -0.552 0.000 2.291 340 L HA 0.034 4.374 4.340 -0.001 0.000 0.214 340 L C 1.594 178.169 176.870 -0.491 0.000 1.120 340 L CA 0.678 54.870 54.840 -1.081 0.000 0.799 340 L CB -1.012 40.400 42.059 -1.077 0.000 0.925 340 L HN 0.516 nan 8.230 nan 0.000 0.446 341 G N -0.000 108.652 108.800 -0.245 0.000 2.528 341 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.262 341 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.262 341 G C 0.831 175.662 174.900 -0.115 0.000 1.200 341 G CA -0.062 44.974 45.100 -0.107 0.000 0.951 341 G HN 0.306 nan 8.290 nan 0.000 0.566 342 G N -0.619 108.147 108.800 -0.057 0.000 2.440 342 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.218 342 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.218 342 G C 2.132 176.988 174.900 -0.074 0.000 1.154 342 G CA 2.237 47.309 45.100 -0.047 0.000 0.767 342 G HN 1.474 nan 8.290 nan 0.000 0.552 343 S N 0.639 116.275 115.700 -0.106 0.000 2.440 343 S HA -0.060 4.409 4.470 -0.001 0.000 0.238 343 S C 2.308 176.728 174.600 -0.300 0.000 1.010 343 S CA 1.011 59.107 58.200 -0.173 0.000 0.972 343 S CB -0.284 62.760 63.200 -0.260 0.000 0.774 343 S HN 0.549 nan 8.310 nan 0.000 0.501 344 G N 1.639 110.237 108.800 -0.337 0.000 2.813 344 G HA2 0.055 4.014 3.960 -0.001 0.000 0.209 344 G HA3 0.055 4.014 3.960 -0.001 0.000 0.209 344 G C 1.135 175.963 174.900 -0.120 0.000 1.150 344 G CA 0.226 45.158 45.100 -0.280 0.000 0.785 344 G HN 0.692 nan 8.290 nan 0.000 0.535 345 I N -2.080 118.445 120.570 -0.075 0.000 3.684 345 I HA 0.316 4.486 4.170 -0.001 0.000 0.304 345 I C 0.084 176.204 176.117 0.005 0.000 1.278 345 I CA 0.078 61.361 61.300 -0.028 0.000 1.272 345 I CB 0.267 38.258 38.000 -0.017 0.000 1.029 345 I HN -0.250 nan 8.210 nan 0.000 0.458 346 T N 1.501 116.065 114.554 0.017 0.000 2.855 346 T HA 0.469 4.818 4.350 -0.001 0.000 0.281 346 T C 0.777 175.498 174.700 0.036 0.000 1.007 346 T CA -0.540 61.586 62.100 0.043 0.000 1.009 346 T CB 2.195 71.101 68.868 0.063 0.000 0.983 346 T HN 0.153 nan 8.240 nan 0.000 0.455 347 L N 2.031 123.266 121.223 0.021 0.000 2.749 347 L HA 0.025 4.365 4.340 -0.001 0.000 0.245 347 L C 2.316 179.128 176.870 -0.095 0.000 1.156 347 L CA 0.767 55.590 54.840 -0.029 0.000 0.890 347 L CB -0.318 41.759 42.059 0.029 0.000 1.036 347 L HN 0.778 nan 8.230 nan 0.000 0.441 348 E N -0.112 120.057 120.200 -0.052 0.000 2.358 348 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 348 E C 1.004 177.373 176.600 -0.384 0.000 1.010 348 E CA 0.925 57.228 56.400 -0.160 0.000 0.856 348 E CB 0.249 29.936 29.700 -0.021 0.000 0.795 348 E HN 0.546 nan 8.360 nan 0.000 0.504 349 Y N -1.126 119.031 120.300 -0.238 0.000 2.500 349 Y HA 0.153 4.703 4.550 -0.001 0.000 0.246 349 Y C 0.577 176.368 175.900 -0.182 0.000 1.146 349 Y CA 0.136 58.088 58.100 -0.246 0.000 1.230 349 Y CB 0.523 38.883 38.460 -0.167 0.000 1.214 349 Y HN 0.118 nan 8.280 nan 0.000 0.526 350 H N -2.055 116.996 119.070 -0.032 0.000 5.017 350 H HA -0.345 4.210 4.556 -0.001 0.000 0.071 350 H C 2.101 177.419 175.328 -0.016 0.000 0.562 350 H CA 1.387 57.389 56.048 -0.076 0.000 1.051 350 H CB -1.729 28.050 29.762 0.029 0.000 0.480 350 H HN 0.362 nan 8.280 nan 0.000 0.749 351 A N 1.245 124.167 122.820 0.170 0.000 1.915 351 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 351 A C 2.636 180.222 177.584 0.004 0.000 1.198 351 A CA 2.581 54.665 52.037 0.077 0.000 0.647 351 A CB -0.951 18.038 19.000 -0.017 0.000 0.825 351 A HN 0.537 nan 8.150 nan 0.000 0.456 352 I N -1.556 118.982 120.570 -0.053 0.000 2.617 352 I HA -0.141 4.029 4.170 -0.001 0.000 0.256 352 I C 2.582 178.574 176.117 -0.209 0.000 1.167 352 I CA 1.174 62.416 61.300 -0.097 0.000 1.469 352 I CB -0.160 37.794 38.000 -0.077 0.000 1.098 352 I HN 0.423 nan 8.210 nan 0.000 0.436 353 R N -0.246 120.038 120.500 -0.361 0.000 2.075 353 R HA -0.199 4.141 4.340 -0.001 0.000 0.232 353 R C 2.349 178.325 176.300 -0.539 0.000 1.126 353 R CA 1.467 57.096 56.100 -0.785 0.000 0.963 353 R CB -0.301 29.448 30.300 -0.919 0.000 0.858 353 R HN 0.440 nan 8.270 nan 0.000 0.435 354 H N 0.171 119.097 119.070 -0.241 0.000 2.357 354 H HA -0.131 4.424 4.556 -0.001 0.000 0.301 354 H C 2.089 177.354 175.328 -0.105 0.000 1.082 354 H CA 1.724 57.685 56.048 -0.145 0.000 1.342 354 H CB -0.257 29.443 29.762 -0.103 0.000 1.389 354 H HN 0.284 nan 8.280 nan 0.000 0.511 355 M N 0.488 120.097 119.600 0.015 0.000 2.088 355 M HA -0.215 4.264 4.480 -0.001 0.000 0.256 355 M C 2.220 178.518 176.300 -0.003 0.000 1.071 355 M CA 1.673 56.965 55.300 -0.013 0.000 1.097 355 M CB -0.241 32.339 32.600 -0.034 0.000 1.315 355 M HN 0.176 nan 8.290 nan 0.000 0.406 356 L N -0.377 120.843 121.223 -0.006 0.000 2.056 356 L HA -0.254 4.086 4.340 -0.001 0.000 0.207 356 L C 1.992 178.932 176.870 0.117 0.000 1.078 356 L CA 1.649 56.538 54.840 0.081 0.000 0.749 356 L CB -0.844 41.329 42.059 0.189 0.000 0.901 356 L HN 0.465 nan 8.230 nan 0.000 0.433 357 N N -0.027 118.729 118.700 0.093 0.000 2.069 357 N HA -0.197 4.542 4.740 -0.001 0.000 0.191 357 N C 1.874 177.422 175.510 0.062 0.000 1.031 357 N CA 0.914 54.041 53.050 0.129 0.000 0.852 357 N CB -0.128 38.420 38.487 0.103 0.000 1.018 357 N HN 0.239 nan 8.380 nan 0.000 0.423 358 L N 0.761 122.015 121.223 0.051 0.000 2.353 358 L HA -0.147 4.193 4.340 -0.001 0.000 0.220 358 L C 2.216 179.116 176.870 0.050 0.000 1.133 358 L CA 0.718 55.581 54.840 0.038 0.000 0.798 358 L CB -0.173 41.900 42.059 0.024 0.000 0.922 358 L HN 0.210 nan 8.230 nan 0.000 0.445 359 E N -0.300 119.926 120.200 0.045 0.000 2.106 359 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 359 E C 2.058 178.692 176.600 0.056 0.000 0.984 359 E CA 1.532 57.980 56.400 0.080 0.000 0.806 359 E CB 0.039 29.774 29.700 0.058 0.000 0.750 359 E HN 0.231 nan 8.360 nan 0.000 0.458 360 T N -0.535 113.982 114.554 -0.062 0.000 2.732 360 T HA -0.090 4.260 4.350 -0.001 0.000 0.261 360 T C 1.827 176.209 174.700 -0.530 0.000 1.040 360 T CA 1.330 63.279 62.100 -0.253 0.000 1.145 360 T CB -0.248 68.469 68.868 -0.252 0.000 0.866 360 T HN 0.003 nan 8.240 nan 0.000 0.427 361 V N 0.794 120.415 119.914 -0.488 0.000 2.392 361 V HA -0.189 3.930 4.120 -0.001 0.000 0.249 361 V C 2.064 178.111 176.094 -0.079 0.000 1.059 361 V CA 1.653 63.677 62.300 -0.460 0.000 1.051 361 V CB -0.796 30.982 31.823 -0.075 0.000 0.658 361 V HN 0.535 nan 8.190 nan 0.000 0.455 362 Y N 1.215 121.457 120.300 -0.097 0.000 2.403 362 Y HA -0.189 4.360 4.550 -0.001 0.000 0.291 362 Y C 2.381 178.292 175.900 0.019 0.000 1.143 362 Y CA 1.986 60.099 58.100 0.022 0.000 1.257 362 Y CB -0.260 38.234 38.460 0.057 0.000 0.984 362 Y HN 0.249 nan 8.280 nan 0.000 0.550 363 T N -0.024 114.471 114.554 -0.098 0.000 2.988 363 T HA 0.022 4.372 4.350 -0.001 0.000 0.240 363 T C -0.096 174.607 174.700 0.006 0.000 1.014 363 T CA 0.578 62.597 62.100 -0.136 0.000 1.155 363 T CB -0.445 68.348 68.868 -0.125 0.000 0.872 363 T HN 0.260 nan 8.240 nan 0.000 0.440 364 Y N 1.554 121.841 120.300 -0.022 0.000 2.260 364 Y HA 0.447 4.997 4.550 -0.001 0.000 0.339 364 Y C 0.538 176.457 175.900 0.031 0.000 1.317 364 Y CA -1.989 56.112 58.100 0.002 0.000 1.514 364 Y CB -0.155 38.319 38.460 0.024 0.000 1.382 364 Y HN 0.198 nan 8.280 nan 0.000 0.581 365 E N -0.130 120.199 120.200 0.215 0.000 2.476 365 E HA -0.143 4.206 4.350 -0.001 0.000 0.251 365 E C 0.316 177.031 176.600 0.191 0.000 1.130 365 E CA 1.309 57.771 56.400 0.104 0.000 0.736 365 E CB -1.879 27.866 29.700 0.074 0.000 1.298 365 E HN 1.576 nan 8.360 nan 0.000 0.400 366 G N 0.316 109.156 108.800 0.066 0.000 3.409 366 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.686 366 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.686 366 G C 0.287 175.090 174.900 -0.162 0.000 1.017 366 G CA 0.079 45.063 45.100 -0.192 0.000 0.854 366 G HN 0.606 nan 8.290 nan 0.000 0.508 367 T N 0.702 115.131 114.554 -0.209 0.000 2.802 367 T HA 0.330 4.680 4.350 -0.001 0.000 0.305 367 T C 1.458 176.035 174.700 -0.206 0.000 1.053 367 T CA 0.525 62.496 62.100 -0.215 0.000 1.058 367 T CB 1.193 69.934 68.868 -0.212 0.000 0.988 367 T HN 0.821 nan 8.240 nan 0.000 0.539 368 H N 0.859 119.673 119.070 -0.427 0.000 2.321 368 H HA -0.152 4.404 4.556 -0.001 0.000 0.295 368 H C 1.385 176.586 175.328 -0.213 0.000 1.102 368 H CA 2.589 58.446 56.048 -0.318 0.000 1.266 368 H CB -0.204 29.227 29.762 -0.552 0.000 1.363 368 H HN 0.698 nan 8.280 nan 0.000 0.492 369 D N 0.185 120.515 120.400 -0.117 0.000 2.144 369 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 369 D C 2.411 178.592 176.300 -0.199 0.000 0.978 369 D CA 1.480 55.400 54.000 -0.133 0.000 0.833 369 D CB -0.308 40.423 40.800 -0.115 0.000 0.961 369 D HN 0.458 nan 8.370 nan 0.000 0.470 370 V N -0.516 119.275 119.914 -0.204 0.000 2.515 370 V HA -0.184 3.936 4.120 -0.001 0.000 0.250 370 V C 2.084 178.073 176.094 -0.174 0.000 1.058 370 V CA 1.507 63.717 62.300 -0.151 0.000 1.064 370 V CB -0.721 31.031 31.823 -0.118 0.000 0.675 370 V HN 0.181 nan 8.190 nan 0.000 0.461 371 H N 0.784 119.792 119.070 -0.105 0.000 2.395 371 H HA -0.019 4.537 4.556 -0.001 0.000 0.299 371 H C 2.553 177.783 175.328 -0.165 0.000 1.070 371 H CA 1.969 57.947 56.048 -0.116 0.000 1.356 371 H CB -0.587 29.070 29.762 -0.176 0.000 1.401 371 H HN 0.482 nan 8.280 nan 0.000 0.524 372 T N 1.985 116.455 114.554 -0.140 0.000 2.746 372 T HA -0.094 4.256 4.350 -0.001 0.000 0.267 372 T C 2.204 176.794 174.700 -0.184 0.000 1.039 372 T CA 0.568 62.568 62.100 -0.167 0.000 1.142 372 T CB -0.132 68.629 68.868 -0.178 0.000 0.866 372 T HN 0.065 nan 8.240 nan 0.000 0.444 373 L N 0.988 122.023 121.223 -0.313 0.000 2.083 373 L HA -0.023 4.317 4.340 -0.001 0.000 0.209 373 L C 2.635 179.345 176.870 -0.266 0.000 1.083 373 L CA 1.250 55.746 54.840 -0.574 0.000 0.752 373 L CB -1.504 39.656 42.059 -1.497 0.000 0.899 373 L HN 0.180 nan 8.230 nan 0.000 0.433 374 V N -0.130 119.802 119.914 0.030 0.000 2.295 374 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 374 V C 2.607 178.752 176.094 0.084 0.000 1.049 374 V CA 1.464 63.887 62.300 0.205 0.000 1.024 374 V CB -0.340 31.601 31.823 0.196 0.000 0.648 374 V HN 0.323 nan 8.190 nan 0.000 0.447 375 L N 0.072 121.309 121.223 0.023 0.000 2.056 375 L HA -0.066 4.274 4.340 -0.001 0.000 0.207 375 L C 2.666 179.529 176.870 -0.012 0.000 1.078 375 L CA 1.653 56.494 54.840 0.001 0.000 0.749 375 L CB -1.239 40.806 42.059 -0.023 0.000 0.901 375 L HN 0.474 nan 8.230 nan 0.000 0.433 376 G N -0.077 108.695 108.800 -0.046 0.000 2.459 376 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.217 376 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.217 376 G C 1.749 176.639 174.900 -0.017 0.000 1.183 376 G CA 0.769 45.837 45.100 -0.053 0.000 0.776 376 G HN 0.254 nan 8.290 nan 0.000 0.552 377 R N 0.329 120.838 120.500 0.016 0.000 2.120 377 R HA -0.044 4.295 4.340 -0.001 0.000 0.234 377 R C 2.290 178.618 176.300 0.047 0.000 1.123 377 R CA 1.371 57.509 56.100 0.064 0.000 0.975 377 R CB -0.296 30.107 30.300 0.172 0.000 0.866 377 R HN 0.329 nan 8.270 nan 0.000 0.446 378 E N 0.561 120.786 120.200 0.042 0.000 2.106 378 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 378 E C 2.033 178.643 176.600 0.016 0.000 0.984 378 E CA 1.032 57.449 56.400 0.029 0.000 0.806 378 E CB -0.008 29.708 29.700 0.028 0.000 0.750 378 E HN 0.430 nan 8.360 nan 0.000 0.458 379 I N 0.455 121.030 120.570 0.009 0.000 2.286 379 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 379 I C 2.569 178.688 176.117 0.004 0.000 1.104 379 I CA 1.655 62.957 61.300 0.004 0.000 1.397 379 I CB -0.243 37.755 38.000 -0.003 0.000 1.072 379 I HN 0.120 nan 8.210 nan 0.000 0.417 380 T N -2.719 111.837 114.554 0.004 0.000 3.037 380 T HA 0.263 4.613 4.350 -0.001 0.000 0.252 380 T C 1.656 176.362 174.700 0.009 0.000 1.073 380 T CA 0.570 62.673 62.100 0.004 0.000 1.091 380 T CB 0.577 69.445 68.868 -0.001 0.000 0.935 380 T HN 0.491 nan 8.240 nan 0.000 0.488 381 G N 1.356 110.165 108.800 0.015 0.000 2.179 381 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.260 381 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.260 381 G C -0.096 174.818 174.900 0.023 0.000 0.977 381 G CA 0.297 45.408 45.100 0.018 0.000 0.641 381 G HN 0.643 nan 8.290 nan 0.000 0.533 382 L N 0.202 121.440 121.223 0.025 0.000 2.317 382 L HA 0.453 4.792 4.340 -0.001 0.000 0.281 382 L C 0.319 177.221 176.870 0.054 0.000 1.024 382 L CA -0.878 53.980 54.840 0.029 0.000 0.810 382 L CB 1.766 43.834 42.059 0.016 0.000 1.240 382 L HN 0.212 nan 8.230 nan 0.000 0.427 383 N N 1.319 120.064 118.700 0.076 0.000 2.414 383 N HA 0.385 5.125 4.740 -0.001 0.000 0.256 383 N C 0.212 175.796 175.510 0.123 0.000 1.029 383 N CA -0.037 53.104 53.050 0.152 0.000 0.948 383 N CB 1.300 39.869 38.487 0.136 0.000 1.102 383 N HN 0.774 nan 8.380 nan 0.000 0.496 384 A N 3.809 126.683 122.820 0.089 0.000 2.470 384 A HA 0.256 4.576 4.320 -0.001 0.000 0.251 384 A C -0.109 177.452 177.584 -0.039 0.000 1.245 384 A CA -0.472 51.557 52.037 -0.014 0.000 0.932 384 A CB -0.103 18.839 19.000 -0.098 0.000 1.037 384 A HN 0.575 nan 8.150 nan 0.000 0.522 385 F N 0.000 119.936 119.950 -0.024 0.000 2.286 385 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 385 F CA 0.000 57.985 58.000 -0.026 0.000 1.383 385 F CB 0.000 38.983 39.000 -0.028 0.000 1.145 385 F HN 0.000 nan 8.300 nan 0.000 0.574