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_A 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 0.000 176.375 176.300 0.124 0.000 1.140 1 M CA 0.000 55.382 55.300 0.136 0.000 0.988 1 M CB 0.000 32.648 32.600 0.080 0.000 1.302 2 L N 2.329 123.641 121.223 0.147 0.000 2.513 2 L HA 0.455 4.798 4.340 0.005 0.000 0.272 2 L C -0.923 176.039 176.870 0.152 0.000 1.187 2 L CA 1.516 56.389 54.840 0.055 0.000 0.895 2 L CB 0.089 42.014 42.059 -0.225 0.000 1.147 2 L HN 0.734 nan 8.230 nan 0.000 0.483 3 D N 3.774 124.261 120.400 0.145 0.000 2.527 3 D HA 0.044 4.687 4.640 0.005 0.000 0.242 3 D C 0.251 176.680 176.300 0.216 0.000 1.285 3 D CA -0.362 53.743 54.000 0.175 0.000 0.886 3 D CB 0.033 40.895 40.800 0.102 0.000 1.402 3 D HN 0.415 nan 8.370 nan 0.000 0.528 4 F N 1.972 121.972 119.950 0.083 0.000 2.234 4 F HA -0.002 4.528 4.527 0.005 0.000 0.299 4 F C 0.599 176.565 175.800 0.277 0.000 1.087 4 F CA 1.190 59.263 58.000 0.122 0.000 1.340 4 F CB 0.120 39.159 39.000 0.065 0.000 1.031 4 F HN 0.327 nan 8.300 nan 0.000 0.500 5 Y N 0.515 120.760 120.300 -0.092 0.000 2.571 5 Y HA 0.539 5.092 4.550 0.005 0.000 0.275 5 Y C 1.219 177.015 175.900 -0.174 0.000 1.179 5 Y CA -0.792 57.181 58.100 -0.213 0.000 1.242 5 Y CB -0.865 37.508 38.460 -0.146 0.000 1.126 5 Y HN 0.107 nan 8.280 nan 0.000 0.524 6 A N 0.049 122.872 122.820 0.005 0.000 2.511 6 A HA -0.235 4.088 4.320 0.005 0.000 0.297 6 A C 1.054 178.595 177.584 -0.072 0.000 1.476 6 A CA 0.552 52.567 52.037 -0.038 0.000 0.757 6 A CB -1.824 17.128 19.000 -0.079 0.000 1.072 6 A HN 0.294 nan 8.150 nan 0.000 0.413 7 L N -0.257 120.926 121.223 -0.066 0.000 2.465 7 L HA -0.053 4.290 4.340 0.005 0.000 0.224 7 L C 2.168 178.980 176.870 -0.098 0.000 1.145 7 L CA 2.058 56.803 54.840 -0.157 0.000 0.834 7 L CB -1.075 40.890 42.059 -0.156 0.000 0.944 7 L HN 0.721 nan 8.230 nan 0.000 0.451 8 E N -0.499 119.680 120.200 -0.034 0.000 2.268 8 E HA -0.200 4.153 4.350 0.005 0.000 0.195 8 E C 1.232 177.827 176.600 -0.009 0.000 0.995 8 E CA 0.737 57.136 56.400 -0.000 0.000 0.836 8 E CB 0.092 29.799 29.700 0.012 0.000 0.763 8 E HN 0.453 nan 8.360 nan 0.000 0.491 9 D N 0.377 120.752 120.400 -0.042 0.000 2.263 9 D HA -0.104 4.539 4.640 0.005 0.000 0.208 9 D C 1.375 177.655 176.300 -0.033 0.000 0.971 9 D CA 0.794 54.770 54.000 -0.039 0.000 0.867 9 D CB 0.102 40.863 40.800 -0.065 0.000 0.929 9 D HN 0.225 nan 8.370 nan 0.000 0.492 10 L N 0.033 121.217 121.223 -0.065 0.000 2.611 10 L HA 0.192 4.535 4.340 0.005 0.000 0.229 10 L C 0.424 177.374 176.870 0.133 0.000 1.137 10 L CA -0.050 54.777 54.840 -0.023 0.000 0.901 10 L CB 0.083 41.972 42.059 -0.282 0.000 1.098 10 L HN -0.150 nan 8.230 nan 0.000 0.456 11 L N -0.516 120.768 121.223 0.103 0.000 2.334 11 L HA 0.399 4.742 4.340 0.005 0.000 0.272 11 L C 0.828 177.756 176.870 0.097 0.000 1.020 11 L CA -0.619 54.303 54.840 0.137 0.000 0.812 11 L CB 1.809 43.937 42.059 0.115 0.000 1.264 11 L HN 0.065 nan 8.230 nan 0.000 0.439 12 T N -1.813 112.798 114.554 0.095 0.000 2.788 12 T HA 0.213 4.566 4.350 0.005 0.000 0.287 12 T C -2.017 172.716 174.700 0.056 0.000 1.007 12 T CA -1.403 60.739 62.100 0.069 0.000 1.005 12 T CB 1.036 69.942 68.868 0.063 0.000 1.012 12 T HN 0.335 nan 8.240 nan 0.000 0.530 13 P HA -0.034 nan 4.420 nan 0.000 0.217 13 P C 1.555 178.881 177.300 0.042 0.000 1.150 13 P CA 0.774 63.898 63.100 0.041 0.000 0.832 13 P CB 0.080 31.801 31.700 0.035 0.000 0.787 14 E N 0.353 120.578 120.200 0.042 0.000 2.051 14 E HA -0.231 4.122 4.350 0.005 0.000 0.192 14 E C 1.725 178.351 176.600 0.044 0.000 0.991 14 E CA 1.252 57.677 56.400 0.041 0.000 0.799 14 E CB -0.187 29.536 29.700 0.038 0.000 0.748 14 E HN 0.296 nan 8.360 nan 0.000 0.449 15 E N 0.419 120.645 120.200 0.043 0.000 2.077 15 E HA -0.178 4.175 4.350 0.005 0.000 0.193 15 E C 2.162 178.784 176.600 0.036 0.000 0.989 15 E CA 1.027 57.448 56.400 0.035 0.000 0.800 15 E CB -0.010 29.715 29.700 0.043 0.000 0.746 15 E HN 0.174 nan 8.360 nan 0.000 0.452 16 K N 0.567 120.994 120.400 0.045 0.000 2.211 16 K HA -0.104 4.219 4.320 0.005 0.000 0.203 16 K C 2.016 178.647 176.600 0.052 0.000 1.050 16 K CA 0.678 56.992 56.287 0.045 0.000 0.945 16 K CB 0.111 32.637 32.500 0.044 0.000 0.732 16 K HN 0.033 nan 8.250 nan 0.000 0.451 17 E N 0.842 121.075 120.200 0.055 0.000 2.385 17 E HA -0.079 4.274 4.350 0.005 0.000 0.194 17 E C 1.870 178.521 176.600 0.085 0.000 1.013 17 E CA 0.513 56.953 56.400 0.066 0.000 0.866 17 E CB 0.401 30.136 29.700 0.058 0.000 0.832 17 E HN 0.187 nan 8.360 nan 0.000 0.500 18 V N -0.424 119.540 119.914 0.083 0.000 2.667 18 V HA -0.130 3.993 4.120 0.005 0.000 0.252 18 V C 2.255 178.429 176.094 0.133 0.000 1.065 18 V CA 1.417 63.789 62.300 0.120 0.000 1.083 18 V CB -0.138 31.750 31.823 0.108 0.000 0.692 18 V HN 0.085 nan 8.190 nan 0.000 0.468 19 Q N 0.708 120.561 119.800 0.088 0.000 2.049 19 Q HA -0.161 4.182 4.340 0.005 0.000 0.198 19 Q C 2.279 178.354 176.000 0.124 0.000 0.971 19 Q CA 1.738 57.595 55.803 0.090 0.000 0.833 19 Q CB -0.132 28.633 28.738 0.045 0.000 0.896 19 Q HN 0.642 nan 8.270 nan 0.000 0.434 20 K N 0.361 120.826 120.400 0.108 0.000 2.057 20 K HA -0.079 4.244 4.320 0.005 0.000 0.207 20 K C 2.052 178.737 176.600 0.142 0.000 1.049 20 K CA 1.199 57.553 56.287 0.112 0.000 0.931 20 K CB -0.429 32.124 32.500 0.088 0.000 0.714 20 K HN 0.239 nan 8.250 nan 0.000 0.440 21 A N 1.675 124.589 122.820 0.156 0.000 1.898 21 A HA -0.009 4.314 4.320 0.005 0.000 0.216 21 A C 2.475 180.230 177.584 0.285 0.000 1.181 21 A CA 1.769 53.916 52.037 0.184 0.000 0.620 21 A CB -0.570 18.522 19.000 0.153 0.000 0.819 21 A HN 0.297 nan 8.150 nan 0.000 0.442 22 A N 0.033 123.061 122.820 0.347 0.000 1.883 22 A HA -0.212 4.111 4.320 0.005 0.000 0.217 22 A C 2.255 180.079 177.584 0.401 0.000 1.186 22 A CA 1.971 54.333 52.037 0.541 0.000 0.624 22 A CB -0.513 18.742 19.000 0.426 0.000 0.822 22 A HN 0.570 nan 8.150 nan 0.000 0.444 23 R N -0.709 119.942 120.500 0.252 0.000 2.092 23 R HA -0.077 4.266 4.340 0.005 0.000 0.231 23 R C 2.407 178.799 176.300 0.153 0.000 1.119 23 R CA 1.376 57.581 56.100 0.174 0.000 0.970 23 R CB -0.248 30.140 30.300 0.147 0.000 0.864 23 R HN 0.508 nan 8.270 nan 0.000 0.440 24 R N -0.448 120.158 120.500 0.178 0.000 2.073 24 R HA -0.161 4.182 4.340 0.005 0.000 0.234 24 R C 2.221 178.637 176.300 0.194 0.000 1.134 24 R CA 1.802 57.996 56.100 0.157 0.000 0.952 24 R CB -0.534 29.858 30.300 0.154 0.000 0.850 24 R HN 0.255 nan 8.270 nan 0.000 0.433 25 F N 1.637 121.665 119.950 0.129 0.000 2.046 25 F HA -0.178 4.351 4.527 0.003 0.000 0.297 25 F C 1.829 177.729 175.800 0.167 0.000 1.123 25 F CA 1.503 59.583 58.000 0.132 0.000 1.199 25 F CB -0.664 38.410 39.000 0.123 0.000 0.972 25 F HN -0.100 nan 8.300 nan 0.000 0.474 26 L N 0.090 121.050 121.223 -0.438 0.000 2.191 26 L HA -0.184 4.159 4.340 0.005 0.000 0.212 26 L C 2.456 179.208 176.870 -0.198 0.000 1.103 26 L CA 1.778 56.340 54.840 -0.464 0.000 0.769 26 L CB -0.729 41.253 42.059 -0.129 0.000 0.908 26 L HN 0.281 nan 8.230 nan 0.000 0.438 27 E N 0.443 120.595 120.200 -0.081 0.000 2.216 27 E HA -0.210 4.143 4.350 0.005 0.000 0.192 27 E C 2.080 178.658 176.600 -0.036 0.000 0.988 27 E CA 0.858 57.235 56.400 -0.038 0.000 0.834 27 E CB 0.259 29.964 29.700 0.008 0.000 0.772 27 E HN 0.440 nan 8.360 nan 0.000 0.479 28 K N -0.450 119.942 120.400 -0.014 0.000 2.335 28 K HA 0.088 4.411 4.320 0.005 0.000 0.195 28 K C 1.519 178.145 176.600 0.044 0.000 1.058 28 K CA 0.647 56.945 56.287 0.019 0.000 0.988 28 K CB 0.363 32.901 32.500 0.063 0.000 0.880 28 K HN -0.055 nan 8.250 nan 0.000 0.513 29 E N -0.527 119.677 120.200 0.007 0.000 2.389 29 E HA 0.165 4.518 4.350 0.005 0.000 0.199 29 E C 1.159 177.850 176.600 0.152 0.000 0.978 29 E CA 0.508 56.964 56.400 0.093 0.000 0.912 29 E CB 0.905 30.668 29.700 0.104 0.000 0.907 29 E HN 0.455 nan 8.360 nan 0.000 0.494 30 A N 0.279 123.106 122.820 0.011 0.000 1.975 30 A HA 0.147 4.470 4.320 0.005 0.000 0.197 30 A C 1.743 179.299 177.584 -0.047 0.000 1.537 30 A CA -0.233 51.865 52.037 0.102 0.000 0.972 30 A CB -0.327 18.740 19.000 0.111 0.000 1.019 30 A HN 0.144 nan 8.150 nan 0.000 0.488 31 L N 0.666 121.836 121.223 -0.088 0.000 2.079 31 L HA -0.042 4.301 4.340 0.005 0.000 0.210 31 L C -1.028 175.708 176.870 -0.224 0.000 1.081 31 L CA 1.814 56.577 54.840 -0.128 0.000 0.752 31 L CB -0.587 41.409 42.059 -0.105 0.000 0.896 31 L HN 0.205 nan 8.230 nan 0.000 0.433 32 P HA -0.134 nan 4.420 nan 0.000 0.223 32 P C 0.551 177.348 177.300 -0.838 0.000 1.144 32 P CA 1.426 64.192 63.100 -0.556 0.000 0.783 32 P CB -0.039 31.270 31.700 -0.653 0.000 0.771 33 H N -3.130 115.636 119.070 -0.507 0.000 3.058 33 H HA 0.188 4.748 4.556 0.006 0.000 0.258 33 H C 1.743 176.533 175.328 -0.897 0.000 1.015 33 H CA -0.343 55.169 56.048 -0.893 0.000 1.210 33 H CB -0.266 28.519 29.762 -1.628 0.000 1.481 33 H HN 0.009 nan 8.280 nan 0.000 0.492 34 I N 2.406 122.718 120.570 -0.429 0.000 2.229 34 I HA -0.327 3.846 4.170 0.005 0.000 0.250 34 I C 2.416 178.574 176.117 0.069 0.000 1.096 34 I CA 1.363 62.636 61.300 -0.046 0.000 1.358 34 I CB -0.159 37.861 38.000 0.033 0.000 1.047 34 I HN -0.036 nan 8.210 nan 0.000 0.422 35 R N 0.738 121.232 120.500 -0.009 0.000 2.127 35 R HA -0.199 4.144 4.340 0.005 0.000 0.228 35 R C 2.052 178.431 176.300 0.132 0.000 1.125 35 R CA 2.328 58.461 56.100 0.056 0.000 0.904 35 R CB -0.829 29.453 30.300 -0.031 0.000 0.831 35 R HN 0.404 nan 8.270 nan 0.000 0.431 36 D N -0.649 119.764 120.400 0.021 0.000 2.157 36 D HA -0.246 4.397 4.640 0.005 0.000 0.191 36 D C 1.830 178.281 176.300 0.251 0.000 1.004 36 D CA 1.226 55.276 54.000 0.083 0.000 0.854 36 D CB -0.406 40.389 40.800 -0.007 0.000 0.936 36 D HN 0.340 nan 8.370 nan 0.000 0.446 37 W N 0.110 121.501 121.300 0.153 0.000 2.358 37 W HA -0.092 4.569 4.660 0.001 0.000 0.303 37 W C 2.418 179.025 176.519 0.146 0.000 1.208 37 W CA -0.322 57.097 57.345 0.123 0.000 1.274 37 W CB -1.612 27.911 29.460 0.105 0.000 1.138 37 W HN 0.186 nan 8.180 nan 0.000 0.515 38 W N 1.232 122.697 121.300 0.274 0.000 2.355 38 W HA -0.189 4.473 4.660 0.004 0.000 0.309 38 W C 2.497 179.099 176.519 0.139 0.000 1.206 38 W CA 2.544 59.996 57.345 0.179 0.000 1.284 38 W CB -0.565 28.965 29.460 0.117 0.000 1.145 38 W HN -0.056 nan 8.180 nan 0.000 0.502 39 E N -0.073 120.382 120.200 0.425 0.000 2.049 39 E HA -0.294 4.059 4.350 0.005 0.000 0.198 39 E C 1.979 178.633 176.600 0.091 0.000 1.007 39 E CA 2.018 58.583 56.400 0.275 0.000 0.809 39 E CB -0.349 29.500 29.700 0.249 0.000 0.749 39 E HN 0.481 nan 8.360 nan 0.000 0.450 40 E N -0.525 119.745 120.200 0.118 0.000 2.494 40 E HA 0.034 4.387 4.350 0.005 0.000 0.193 40 E C 0.707 177.320 176.600 0.022 0.000 1.074 40 E CA 0.527 56.971 56.400 0.073 0.000 0.867 40 E CB 0.257 30.023 29.700 0.110 0.000 0.924 40 E HN 0.310 nan 8.360 nan 0.000 0.502 41 G N 1.247 110.025 108.800 -0.037 0.000 2.338 41 G HA2 -0.270 3.693 3.960 0.005 0.000 0.296 41 G HA3 -0.270 3.693 3.960 0.005 0.000 0.296 41 G C -0.229 174.671 174.900 -0.000 0.000 1.040 41 G CA 0.579 45.621 45.100 -0.095 0.000 1.004 41 G HN 0.377 nan 8.290 nan 0.000 0.509 42 V N -0.172 119.775 119.914 0.055 0.000 2.823 42 V HA 0.851 4.974 4.120 0.005 0.000 0.312 42 V C -0.368 175.743 176.094 0.028 0.000 1.072 42 V CA -1.540 60.782 62.300 0.038 0.000 0.937 42 V CB 1.902 33.717 31.823 -0.013 0.000 1.013 42 V HN 0.662 nan 8.190 nan 0.000 0.430 43 F N 8.320 128.212 119.950 -0.098 0.000 2.408 43 F HA 0.708 5.239 4.527 0.006 0.000 0.344 43 F C -1.914 173.700 175.800 -0.311 0.000 1.112 43 F CA -2.387 55.536 58.000 -0.128 0.000 1.096 43 F CB 1.899 40.879 39.000 -0.034 0.000 1.129 43 F HN 0.391 nan 8.300 nan 0.000 0.486 44 P HA 0.052 nan 4.420 nan 0.000 0.252 44 P C 0.675 177.522 177.300 -0.754 0.000 1.727 44 P CA 0.040 62.481 63.100 -1.098 0.000 1.134 44 P CB 0.120 30.804 31.700 -1.693 0.000 1.876 45 T N -0.107 114.293 114.554 -0.257 0.000 2.759 45 T HA -0.262 4.091 4.350 0.005 0.000 0.269 45 T C 1.579 176.171 174.700 -0.180 0.000 1.042 45 T CA 1.753 63.797 62.100 -0.092 0.000 1.140 45 T CB -1.564 67.318 68.868 0.024 0.000 0.864 45 T HN 0.547 nan 8.240 nan 0.000 0.455 46 H N -0.242 118.656 119.070 -0.287 0.000 2.568 46 H HA 0.238 4.798 4.556 0.007 0.000 0.281 46 H C 1.724 176.891 175.328 -0.269 0.000 1.028 46 H CA 0.252 56.167 56.048 -0.221 0.000 1.199 46 H CB -0.277 29.378 29.762 -0.177 0.000 1.352 46 H HN 0.257 nan 8.280 nan 0.000 0.605 47 L N 0.298 120.979 121.223 -0.904 0.000 2.554 47 L HA 0.196 4.539 4.340 0.005 0.000 0.225 47 L C 1.877 178.127 176.870 -1.032 0.000 1.104 47 L CA 0.413 54.690 54.840 -0.938 0.000 0.866 47 L CB -0.165 41.294 42.059 -1.001 0.000 1.047 47 L HN 0.406 nan 8.230 nan 0.000 0.468 48 I N 0.870 121.001 120.570 -0.732 0.000 2.179 48 I HA -0.201 3.972 4.170 0.005 0.000 0.242 48 I C -0.399 175.596 176.117 -0.204 0.000 1.088 48 I CA 1.262 62.282 61.300 -0.467 0.000 1.357 48 I CB -1.383 36.466 38.000 -0.253 0.000 1.051 48 I HN 0.204 nan 8.210 nan 0.000 0.409 49 P HA -0.127 nan 4.420 nan 0.000 0.218 49 P C 1.373 178.584 177.300 -0.148 0.000 1.149 49 P CA 1.277 64.322 63.100 -0.093 0.000 0.817 49 P CB -0.175 31.484 31.700 -0.069 0.000 0.785 50 R N -0.923 119.422 120.500 -0.257 0.000 2.075 50 R HA -0.034 4.309 4.340 0.005 0.000 0.232 50 R C 2.252 178.323 176.300 -0.381 0.000 1.126 50 R CA 1.058 56.952 56.100 -0.343 0.000 0.963 50 R CB -1.531 28.587 30.300 -0.304 0.000 0.858 50 R HN 0.233 nan 8.270 nan 0.000 0.435 51 F N 0.976 120.785 119.950 -0.235 0.000 2.134 51 F HA -0.047 4.485 4.527 0.008 0.000 0.299 51 F C 2.537 178.237 175.800 -0.167 0.000 1.097 51 F CA 0.485 58.363 58.000 -0.203 0.000 1.264 51 F CB -1.390 37.795 39.000 0.309 0.000 1.001 51 F HN 0.044 nan 8.300 nan 0.000 0.479 52 A N 0.032 122.938 122.820 0.143 0.000 1.883 52 A HA -0.225 4.098 4.320 0.005 0.000 0.217 52 A C 2.157 179.730 177.584 -0.019 0.000 1.186 52 A CA 1.861 53.957 52.037 0.098 0.000 0.624 52 A CB -0.952 18.102 19.000 0.090 0.000 0.822 52 A HN 0.386 nan 8.150 nan 0.000 0.444 53 E N -0.855 119.281 120.200 -0.105 0.000 2.204 53 E HA -0.135 4.218 4.350 0.005 0.000 0.195 53 E C 1.374 177.852 176.600 -0.204 0.000 0.990 53 E CA 0.975 57.288 56.400 -0.144 0.000 0.821 53 E CB -0.146 29.450 29.700 -0.174 0.000 0.750 53 E HN 0.498 nan 8.360 nan 0.000 0.477 54 L N -1.067 119.940 121.223 -0.360 0.000 2.558 54 L HA 0.195 4.538 4.340 0.005 0.000 0.225 54 L C 1.335 178.089 176.870 -0.193 0.000 1.128 54 L CA 0.773 55.351 54.840 -0.437 0.000 0.868 54 L CB 0.318 41.768 42.059 -1.015 0.000 1.006 54 L HN 0.208 nan 8.230 nan 0.000 0.454 55 G N -1.617 107.145 108.800 -0.063 0.000 2.147 55 G HA2 -0.314 3.649 3.960 0.005 0.000 0.244 55 G HA3 -0.314 3.649 3.960 0.005 0.000 0.244 55 G C 0.760 175.833 174.900 0.289 0.000 1.005 55 G CA 0.136 45.295 45.100 0.098 0.000 0.713 55 G HN 0.164 nan 8.290 nan 0.000 0.515 56 F N -0.561 119.449 119.950 0.101 0.000 2.502 56 F HA 0.275 4.806 4.527 0.006 0.000 0.298 56 F C 1.447 177.322 175.800 0.124 0.000 1.111 56 F CA -0.210 57.854 58.000 0.108 0.000 1.445 56 F CB -0.136 38.915 39.000 0.084 0.000 1.081 56 F HN 0.104 nan 8.300 nan 0.000 0.558 57 L N -0.016 121.404 121.223 0.329 0.000 2.259 57 L HA 0.435 4.778 4.340 0.005 0.000 0.288 57 L C 0.957 177.881 176.870 0.090 0.000 1.051 57 L CA -0.560 54.413 54.840 0.221 0.000 0.824 57 L CB 0.281 42.492 42.059 0.252 0.000 1.206 57 L HN 0.292 nan 8.230 nan 0.000 0.429 58 G N 4.809 113.603 108.800 -0.009 0.000 2.333 58 G HA2 -0.206 3.757 3.960 0.005 0.000 0.296 58 G HA3 -0.206 3.757 3.960 0.005 0.000 0.296 58 G C -1.187 173.637 174.900 -0.127 0.000 1.059 58 G CA -0.012 45.011 45.100 -0.129 0.000 1.050 58 G HN 0.536 nan 8.290 nan 0.000 0.508 59 P HA -0.188 nan 4.420 nan 0.000 0.217 59 P C 1.925 179.171 177.300 -0.091 0.000 1.148 59 P CA 2.233 65.305 63.100 -0.047 0.000 0.828 59 P CB -0.201 31.524 31.700 0.042 0.000 0.783 60 T N -3.635 110.802 114.554 -0.194 0.000 3.088 60 T HA 0.101 4.454 4.350 0.005 0.000 0.259 60 T C 1.074 175.661 174.700 -0.188 0.000 1.122 60 T CA -0.102 61.897 62.100 -0.168 0.000 1.095 60 T CB -0.766 67.979 68.868 -0.205 0.000 0.930 60 T HN -0.050 nan 8.240 nan 0.000 0.508 61 L N 1.914 123.003 121.223 -0.224 0.000 2.467 61 L HA 0.297 4.640 4.340 0.005 0.000 0.270 61 L C -2.245 174.554 176.870 -0.119 0.000 1.205 61 L CA -2.197 52.475 54.840 -0.279 0.000 0.828 61 L CB -0.027 41.864 42.059 -0.281 0.000 1.101 61 L HN -0.014 nan 8.230 nan 0.000 0.479 62 P HA 0.037 nan 4.420 nan 0.000 0.264 62 P C -2.065 175.276 177.300 0.069 0.000 1.193 62 P CA -0.864 62.273 63.100 0.061 0.000 0.763 62 P CB 0.199 32.020 31.700 0.201 0.000 0.810 63 P HA -0.209 nan 4.420 nan 0.000 0.220 63 P C 1.015 178.302 177.300 -0.021 0.000 1.144 63 P CA 1.430 64.535 63.100 0.007 0.000 0.800 63 P CB -0.178 31.520 31.700 -0.004 0.000 0.772 64 E N -1.516 118.642 120.200 -0.070 0.000 2.118 64 E HA -0.205 4.148 4.350 0.005 0.000 0.195 64 E C 0.869 177.280 176.600 -0.315 0.000 0.992 64 E CA 1.201 57.457 56.400 -0.240 0.000 0.804 64 E CB -0.613 28.835 29.700 -0.420 0.000 0.741 64 E HN 0.445 nan 8.360 nan 0.000 0.458 65 Y N -0.522 119.798 120.300 0.034 0.000 2.493 65 Y HA 0.289 4.842 4.550 0.005 0.000 0.275 65 Y C 1.378 177.293 175.900 0.025 0.000 1.183 65 Y CA 0.298 58.422 58.100 0.041 0.000 1.258 65 Y CB 0.995 39.503 38.460 0.080 0.000 1.108 65 Y HN 0.134 nan 8.280 nan 0.000 0.521 66 G N -0.408 108.454 108.800 0.102 0.000 2.141 66 G HA2 -0.198 3.765 3.960 0.005 0.000 0.231 66 G HA3 -0.198 3.765 3.960 0.005 0.000 0.231 66 G C 0.577 175.515 174.900 0.064 0.000 0.984 66 G CA -0.169 44.974 45.100 0.071 0.000 0.660 66 G HN 0.717 nan 8.290 nan 0.000 0.525 67 G N -1.046 107.791 108.800 0.062 0.000 2.476 67 G HA2 0.702 4.665 3.960 0.005 0.000 0.286 67 G HA3 0.702 4.665 3.960 0.005 0.000 0.286 67 G C 1.081 175.990 174.900 0.016 0.000 1.177 67 G CA 0.378 45.494 45.100 0.026 0.000 0.870 67 G HN 1.237 nan 8.290 nan 0.000 0.528 68 A N -0.020 122.807 122.820 0.012 0.000 2.119 68 A HA 0.387 4.710 4.320 0.005 0.000 0.216 68 A C 2.153 179.741 177.584 0.006 0.000 1.152 68 A CA 1.404 53.452 52.037 0.018 0.000 0.708 68 A CB -0.667 18.357 19.000 0.040 0.000 0.805 68 A HN 2.344 nan 8.150 nan 0.000 0.460 69 G N -0.335 108.456 108.800 -0.015 0.000 2.283 69 G HA2 -0.177 3.786 3.960 0.005 0.000 0.280 69 G HA3 -0.177 3.786 3.960 0.005 0.000 0.280 69 G C 0.485 175.377 174.900 -0.013 0.000 1.029 69 G CA 0.893 45.980 45.100 -0.021 0.000 0.840 69 G HN 1.668 nan 8.290 nan 0.000 0.505 70 V N -2.374 117.535 119.914 -0.009 0.000 3.369 70 V HA 0.911 5.034 4.120 0.005 0.000 0.309 70 V C 1.139 177.228 176.094 -0.008 0.000 1.069 70 V CA 0.033 62.336 62.300 0.004 0.000 1.042 70 V CB 1.211 33.049 31.823 0.026 0.000 1.192 70 V HN 1.347 nan 8.190 nan 0.000 0.447 71 S N 0.219 115.922 115.700 0.004 0.000 2.608 71 S HA 0.198 4.671 4.470 0.005 0.000 0.261 71 S C 1.109 175.716 174.600 0.011 0.000 1.314 71 S CA 0.351 58.550 58.200 -0.002 0.000 0.992 71 S CB 0.834 64.041 63.200 0.012 0.000 0.935 71 S HN 0.883 nan 8.310 nan 0.000 0.564 72 S N 0.961 116.659 115.700 -0.002 0.000 2.383 72 S HA -0.005 4.468 4.470 0.005 0.000 0.227 72 S C 2.280 176.971 174.600 0.151 0.000 1.026 72 S CA 0.932 59.160 58.200 0.045 0.000 0.981 72 S CB -1.069 62.013 63.200 -0.197 0.000 0.818 72 S HN 0.882 nan 8.310 nan 0.000 0.472 73 A N 1.734 124.592 122.820 0.064 0.000 1.908 73 A HA -0.001 4.322 4.320 0.005 0.000 0.218 73 A C 2.354 179.744 177.584 -0.323 0.000 1.181 73 A CA 1.832 53.814 52.037 -0.091 0.000 0.627 73 A CB -1.121 17.919 19.000 0.067 0.000 0.818 73 A HN 0.523 nan 8.150 nan 0.000 0.445 74 A N -1.508 121.241 122.820 -0.119 0.000 1.933 74 A HA -0.108 4.215 4.320 0.005 0.000 0.218 74 A C 2.154 179.677 177.584 -0.101 0.000 1.175 74 A CA 1.768 53.748 52.037 -0.096 0.000 0.628 74 A CB -0.776 18.224 19.000 -0.001 0.000 0.814 74 A HN 0.771 nan 8.150 nan 0.000 0.444 75 Y N 0.946 121.137 120.300 -0.181 0.000 2.163 75 Y HA -0.032 4.521 4.550 0.005 0.000 0.288 75 Y C 2.426 178.129 175.900 -0.329 0.000 1.136 75 Y CA 1.229 59.235 58.100 -0.157 0.000 1.147 75 Y CB -1.057 37.390 38.460 -0.022 0.000 0.987 75 Y HN 0.192 nan 8.280 nan 0.000 0.509 76 G N 0.614 108.964 108.800 -0.750 0.000 2.440 76 G HA2 -0.251 3.712 3.960 0.005 0.000 0.218 76 G HA3 -0.251 3.712 3.960 0.005 0.000 0.218 76 G C 1.777 176.017 174.900 -1.101 0.000 1.154 76 G CA 1.224 45.324 45.100 -1.667 0.000 0.767 76 G HN 0.472 nan 8.290 nan 0.000 0.552 77 L N 0.439 121.128 121.223 -0.890 0.000 2.141 77 L HA -0.015 4.328 4.340 0.005 0.000 0.209 77 L C 2.769 179.536 176.870 -0.172 0.000 1.094 77 L CA 0.991 55.596 54.840 -0.392 0.000 0.763 77 L CB -0.356 41.532 42.059 -0.285 0.000 0.908 77 L HN 0.473 nan 8.230 nan 0.000 0.437 78 I N -3.824 116.594 120.570 -0.255 0.000 2.500 78 I HA -0.149 4.024 4.170 0.005 0.000 0.252 78 I C 2.453 178.368 176.117 -0.338 0.000 1.142 78 I CA 1.085 62.181 61.300 -0.341 0.000 1.451 78 I CB -0.714 36.945 38.000 -0.568 0.000 1.093 78 I HN 0.050 nan 8.210 nan 0.000 0.430 79 C N 0.488 119.598 119.300 -0.316 0.000 2.429 79 C HA -0.161 4.302 4.460 0.005 0.000 0.277 79 C C 2.694 177.639 174.990 -0.075 0.000 1.262 79 C CA 1.125 59.998 59.018 -0.240 0.000 1.733 79 C CB -1.344 26.188 27.740 -0.346 0.000 2.010 79 C HN 0.685 nan 8.230 nan 0.000 0.483 80 Y N 2.086 122.326 120.300 -0.101 0.000 2.053 80 Y HA -0.233 4.320 4.550 0.005 0.000 0.277 80 Y C 2.527 178.431 175.900 0.007 0.000 1.159 80 Y CA 2.079 60.193 58.100 0.024 0.000 1.125 80 Y CB -0.273 38.258 38.460 0.119 0.000 0.969 80 Y HN 0.266 nan 8.280 nan 0.000 0.492 81 E N 0.321 120.635 120.200 0.190 0.000 2.110 81 E HA -0.182 4.171 4.350 0.005 0.000 0.193 81 E C 2.371 178.980 176.600 0.015 0.000 0.988 81 E CA 1.243 57.715 56.400 0.119 0.000 0.804 81 E CB -0.541 29.249 29.700 0.151 0.000 0.745 81 E HN 0.556 nan 8.360 nan 0.000 0.458 82 L N 0.494 121.687 121.223 -0.050 0.000 1.976 82 L HA -0.214 4.129 4.340 0.005 0.000 0.209 82 L C 2.620 179.503 176.870 0.022 0.000 1.071 82 L CA 1.553 56.372 54.840 -0.035 0.000 0.746 82 L CB -0.326 41.657 42.059 -0.127 0.000 0.890 82 L HN 0.103 nan 8.230 nan 0.000 0.432 83 E N 0.080 120.276 120.200 -0.007 0.000 2.153 83 E HA -0.273 4.080 4.350 0.005 0.000 0.194 83 E C 2.264 178.881 176.600 0.028 0.000 0.988 83 E CA 0.975 57.391 56.400 0.026 0.000 0.811 83 E CB -0.015 29.670 29.700 -0.025 0.000 0.746 83 E HN 0.172 nan 8.360 nan 0.000 0.466 84 R N -0.350 120.099 120.500 -0.085 0.000 2.159 84 R HA -0.136 4.207 4.340 0.005 0.000 0.237 84 R C 1.686 178.011 176.300 0.041 0.000 1.131 84 R CA 1.357 57.389 56.100 -0.114 0.000 0.982 84 R CB 0.059 30.265 30.300 -0.156 0.000 0.868 84 R HN 0.137 nan 8.270 nan 0.000 0.453 85 V N -0.559 119.393 119.914 0.062 0.000 2.341 85 V HA 0.023 4.146 4.120 0.005 0.000 0.240 85 V C 0.341 176.474 176.094 0.065 0.000 1.035 85 V CA 1.474 63.797 62.300 0.039 0.000 1.033 85 V CB -0.141 31.707 31.823 0.043 0.000 0.678 85 V HN 0.379 nan 8.190 nan 0.000 0.464 86 D N -2.737 117.739 120.400 0.127 0.000 2.836 86 D HA 0.262 4.905 4.640 0.005 0.000 0.215 86 D C 0.501 176.921 176.300 0.200 0.000 1.255 86 D CA 0.004 54.077 54.000 0.122 0.000 0.822 86 D CB 1.806 42.701 40.800 0.159 0.000 1.656 86 D HN -0.080 nan 8.370 nan 0.000 0.511 87 S N 1.334 117.160 115.700 0.210 0.000 2.419 87 S HA -0.045 4.428 4.470 0.005 0.000 0.235 87 S C 1.948 176.718 174.600 0.284 0.000 1.019 87 S CA 1.093 59.427 58.200 0.222 0.000 0.982 87 S CB -0.122 63.198 63.200 0.200 0.000 0.789 87 S HN 0.644 nan 8.310 nan 0.000 0.490 88 G N 1.662 110.663 108.800 0.335 0.000 2.408 88 G HA2 -0.091 3.872 3.960 0.005 0.000 0.217 88 G HA3 -0.091 3.872 3.960 0.005 0.000 0.217 88 G C 1.276 176.494 174.900 0.531 0.000 1.150 88 G CA 0.419 45.771 45.100 0.420 0.000 0.776 88 G HN 0.456 nan 8.290 nan 0.000 0.542 89 L N -0.296 121.211 121.223 0.474 0.000 2.093 89 L HA 0.035 4.378 4.340 0.005 0.000 0.208 89 L C 2.946 180.057 176.870 0.402 0.000 1.085 89 L CA 0.678 55.838 54.840 0.533 0.000 0.755 89 L CB -0.377 41.920 42.059 0.397 0.000 0.904 89 L HN 0.111 nan 8.230 nan 0.000 0.435 90 R N 0.224 120.880 120.500 0.259 0.000 2.090 90 R HA -0.078 4.265 4.340 0.005 0.000 0.228 90 R C 2.269 178.685 176.300 0.194 0.000 1.110 90 R CA 1.407 57.596 56.100 0.148 0.000 0.973 90 R CB -0.212 30.143 30.300 0.093 0.000 0.869 90 R HN 0.244 nan 8.270 nan 0.000 0.440 91 S N 0.788 116.647 115.700 0.265 0.000 2.359 91 S HA -0.166 4.307 4.470 0.005 0.000 0.224 91 S C 1.560 176.272 174.600 0.185 0.000 1.035 91 S CA 1.498 59.834 58.200 0.228 0.000 1.018 91 S CB -0.478 62.900 63.200 0.296 0.000 0.876 91 S HN 0.420 nan 8.310 nan 0.000 0.448 92 F N 2.475 122.523 119.950 0.162 0.000 2.095 92 F HA -0.170 4.361 4.527 0.007 0.000 0.298 92 F C 2.126 178.026 175.800 0.166 0.000 1.104 92 F CA 1.292 59.363 58.000 0.119 0.000 1.232 92 F CB -0.471 38.667 39.000 0.230 0.000 0.987 92 F HN -0.030 nan 8.300 nan 0.000 0.475 93 V N -0.450 119.645 119.914 0.302 0.000 2.490 93 V HA -0.273 3.850 4.120 0.005 0.000 0.250 93 V C 2.402 178.549 176.094 0.088 0.000 1.061 93 V CA 1.953 64.362 62.300 0.182 0.000 1.064 93 V CB -0.928 30.987 31.823 0.152 0.000 0.670 93 V HN 0.367 nan 8.190 nan 0.000 0.461 94 S N -0.010 115.737 115.700 0.078 0.000 2.356 94 S HA -0.156 4.317 4.470 0.005 0.000 0.223 94 S C 2.046 176.628 174.600 -0.031 0.000 1.032 94 S CA 1.506 59.747 58.200 0.068 0.000 1.005 94 S CB -0.225 62.985 63.200 0.016 0.000 0.867 94 S HN 0.392 nan 8.310 nan 0.000 0.449 95 V N 1.786 121.636 119.914 -0.106 0.000 2.237 95 V HA -0.234 3.889 4.120 0.005 0.000 0.245 95 V C 2.613 178.624 176.094 -0.140 0.000 1.046 95 V CA 2.166 64.379 62.300 -0.143 0.000 1.007 95 V CB -0.818 30.905 31.823 -0.166 0.000 0.638 95 V HN 0.389 nan 8.190 nan 0.000 0.445 96 Q N 0.190 119.837 119.800 -0.255 0.000 2.096 96 Q HA -0.172 4.171 4.340 0.005 0.000 0.204 96 Q C 2.268 178.228 176.000 -0.068 0.000 0.982 96 Q CA 2.495 58.174 55.803 -0.207 0.000 0.850 96 Q CB -0.259 28.282 28.738 -0.328 0.000 0.901 96 Q HN 0.666 nan 8.270 nan 0.000 0.422 97 S N -0.942 114.729 115.700 -0.048 0.000 2.341 97 S HA 0.017 4.490 4.470 0.005 0.000 0.216 97 S C 1.904 176.481 174.600 -0.039 0.000 1.034 97 S CA 1.032 59.196 58.200 -0.061 0.000 0.964 97 S CB -0.096 63.032 63.200 -0.120 0.000 0.882 97 S HN 0.338 nan 8.310 nan 0.000 0.469 98 S N 0.908 116.600 115.700 -0.014 0.000 2.503 98 S HA 0.337 4.810 4.470 0.005 0.000 0.215 98 S C 1.323 175.931 174.600 0.013 0.000 1.003 98 S CA 0.163 58.357 58.200 -0.010 0.000 0.910 98 S CB 0.053 63.239 63.200 -0.024 0.000 0.790 98 S HN 0.278 nan 8.310 nan 0.000 0.514 99 L N 0.231 121.434 121.223 -0.034 0.000 2.664 99 L HA 0.301 4.644 4.340 0.005 0.000 0.233 99 L C 1.064 178.081 176.870 0.245 0.000 1.113 99 L CA 0.149 54.941 54.840 -0.080 0.000 0.896 99 L CB 0.323 42.158 42.059 -0.373 0.000 1.163 99 L HN 0.162 nan 8.230 nan 0.000 0.497 100 V N -1.608 118.398 119.914 0.154 0.000 3.442 100 V HA 0.044 4.167 4.120 0.005 0.000 0.205 100 V C 1.948 178.101 176.094 0.099 0.000 1.320 100 V CA 0.214 62.595 62.300 0.135 0.000 1.306 100 V CB 0.331 32.185 31.823 0.052 0.000 1.267 100 V HN 0.111 nan 8.190 nan 0.000 0.538 101 M N -0.473 119.166 119.600 0.064 0.000 2.159 101 M HA -0.195 4.288 4.480 0.005 0.000 0.263 101 M C 2.204 178.537 176.300 0.055 0.000 1.063 101 M CA 2.334 57.660 55.300 0.044 0.000 1.110 101 M CB -0.368 32.236 32.600 0.006 0.000 1.374 101 M HN 0.568 nan 8.290 nan 0.000 0.411 102 Y N 1.696 121.985 120.300 -0.018 0.000 2.163 102 Y HA -0.107 4.446 4.550 0.005 0.000 0.288 102 Y C -0.746 175.185 175.900 0.052 0.000 1.136 102 Y CA 1.572 59.667 58.100 -0.009 0.000 1.147 102 Y CB -1.540 36.896 38.460 -0.039 0.000 0.987 102 Y HN 0.105 nan 8.280 nan 0.000 0.509 103 P HA -0.219 nan 4.420 nan 0.000 0.215 103 P C 1.706 178.994 177.300 -0.021 0.000 1.153 103 P CA 2.038 65.208 63.100 0.117 0.000 0.853 103 P CB -0.116 31.822 31.700 0.396 0.000 0.788 104 I N -1.925 118.639 120.570 -0.011 0.000 2.252 104 I HA -0.245 3.928 4.170 0.005 0.000 0.245 104 I C 2.786 178.834 176.117 -0.114 0.000 1.102 104 I CA 1.384 62.673 61.300 -0.018 0.000 1.385 104 I CB -0.655 37.368 38.000 0.038 0.000 1.064 104 I HN -0.135 nan 8.210 nan 0.000 0.414 105 Y N 1.255 121.367 120.300 -0.312 0.000 2.242 105 Y HA -0.164 4.389 4.550 0.005 0.000 0.291 105 Y C 2.384 177.998 175.900 -0.478 0.000 1.137 105 Y CA 1.493 59.347 58.100 -0.411 0.000 1.181 105 Y CB -0.090 38.143 38.460 -0.378 0.000 0.989 105 Y HN 0.093 nan 8.280 nan 0.000 0.527 106 A N -1.620 120.809 122.820 -0.651 0.000 2.030 106 A HA 0.009 4.332 4.320 0.005 0.000 0.215 106 A C 0.952 178.046 177.584 -0.816 0.000 1.164 106 A CA 1.046 52.530 52.037 -0.921 0.000 0.697 106 A CB -0.564 17.578 19.000 -1.429 0.000 0.827 106 A HN 0.572 nan 8.150 nan 0.000 0.457 107 Y N -0.838 119.334 120.300 -0.214 0.000 2.527 107 Y HA 0.375 4.928 4.550 0.005 0.000 0.247 107 Y C 1.452 177.273 175.900 -0.131 0.000 1.138 107 Y CA -0.838 57.181 58.100 -0.136 0.000 1.228 107 Y CB -0.380 38.043 38.460 -0.061 0.000 1.252 107 Y HN 0.215 nan 8.280 nan 0.000 0.531 108 G N 0.643 109.415 108.800 -0.048 0.000 2.562 108 G HA2 0.392 4.355 3.960 0.005 0.000 0.275 108 G HA3 0.392 4.355 3.960 0.005 0.000 0.275 108 G C 0.111 174.974 174.900 -0.062 0.000 1.196 108 G CA -0.259 44.817 45.100 -0.040 0.000 0.908 108 G HN 0.202 nan 8.290 nan 0.000 0.524 109 S N -0.774 114.908 115.700 -0.030 0.000 2.645 109 S HA 0.181 4.654 4.470 0.005 0.000 0.266 109 S C 1.103 175.681 174.600 -0.036 0.000 1.258 109 S CA -0.027 58.157 58.200 -0.028 0.000 0.990 109 S CB 1.675 64.871 63.200 -0.006 0.000 0.967 109 S HN 0.589 nan 8.310 nan 0.000 0.556 110 E N 0.467 120.653 120.200 -0.023 0.000 2.204 110 E HA -0.161 4.192 4.350 0.005 0.000 0.195 110 E C 1.809 178.416 176.600 0.012 0.000 0.990 110 E CA 1.662 58.065 56.400 0.005 0.000 0.821 110 E CB -0.264 29.447 29.700 0.018 0.000 0.750 110 E HN 0.835 nan 8.360 nan 0.000 0.477 111 E N -0.203 119.989 120.200 -0.014 0.000 2.072 111 E HA -0.212 4.141 4.350 0.005 0.000 0.190 111 E C 1.937 178.483 176.600 -0.090 0.000 0.982 111 E CA 1.034 57.407 56.400 -0.043 0.000 0.803 111 E CB -0.000 29.676 29.700 -0.039 0.000 0.755 111 E HN 0.382 nan 8.360 nan 0.000 0.453 112 Q N 0.212 119.987 119.800 -0.042 0.000 2.167 112 Q HA -0.126 4.217 4.340 0.005 0.000 0.202 112 Q C 2.136 178.150 176.000 0.024 0.000 0.970 112 Q CA 1.177 56.985 55.803 0.009 0.000 0.855 112 Q CB 0.041 28.875 28.738 0.160 0.000 0.911 112 Q HN 0.153 nan 8.270 nan 0.000 0.438 113 K N 0.564 120.960 120.400 -0.007 0.000 2.025 113 K HA -0.065 4.258 4.320 0.005 0.000 0.207 113 K C 2.118 178.777 176.600 0.099 0.000 1.049 113 K CA 0.930 57.194 56.287 -0.038 0.000 0.933 113 K CB -0.032 32.330 32.500 -0.231 0.000 0.714 113 K HN 0.111 nan 8.250 nan 0.000 0.438 114 R N 0.822 121.399 120.500 0.129 0.000 2.115 114 R HA -0.121 4.222 4.340 0.005 0.000 0.230 114 R C 2.270 178.559 176.300 -0.019 0.000 1.111 114 R CA 1.081 57.254 56.100 0.123 0.000 0.976 114 R CB -0.075 30.260 30.300 0.057 0.000 0.870 114 R HN 0.368 nan 8.270 nan 0.000 0.445 115 E N -0.049 120.042 120.200 -0.182 0.000 2.072 115 E HA -0.125 4.228 4.350 0.005 0.000 0.190 115 E C 1.104 177.450 176.600 -0.423 0.000 0.982 115 E CA 1.047 57.196 56.400 -0.419 0.000 0.803 115 E CB 0.161 29.398 29.700 -0.771 0.000 0.755 115 E HN 0.168 nan 8.360 nan 0.000 0.453 116 F N 0.222 120.188 119.950 0.027 0.000 2.419 116 F HA 0.148 4.678 4.527 0.004 0.000 0.283 116 F C 2.107 177.929 175.800 0.038 0.000 1.044 116 F CA 0.090 58.103 58.000 0.021 0.000 1.376 116 F CB -0.644 38.359 39.000 0.006 0.000 1.131 116 F HN -0.051 nan 8.300 nan 0.000 0.585 117 L N 0.504 121.863 121.223 0.227 0.000 2.064 117 L HA -0.225 4.118 4.340 0.005 0.000 0.216 117 L C -0.513 176.450 176.870 0.156 0.000 1.077 117 L CA 1.883 56.823 54.840 0.167 0.000 0.766 117 L CB -2.008 40.134 42.059 0.138 0.000 0.890 117 L HN 0.114 nan 8.230 nan 0.000 0.435 118 P HA -0.124 nan 4.420 nan 0.000 0.217 118 P C 1.340 178.696 177.300 0.093 0.000 1.151 118 P CA 1.228 64.394 63.100 0.110 0.000 0.828 118 P CB 0.058 31.808 31.700 0.083 0.000 0.788 119 K N -0.649 119.811 120.400 0.100 0.000 2.103 119 K HA -0.006 4.317 4.320 0.005 0.000 0.204 119 K C 2.001 178.666 176.600 0.108 0.000 1.052 119 K CA 1.012 57.352 56.287 0.089 0.000 0.945 119 K CB -0.573 31.981 32.500 0.090 0.000 0.722 119 K HN 0.170 nan 8.250 nan 0.000 0.443 120 L N 0.499 121.801 121.223 0.131 0.000 2.072 120 L HA -0.115 4.228 4.340 0.005 0.000 0.205 120 L C 2.591 179.540 176.870 0.131 0.000 1.079 120 L CA 0.989 55.907 54.840 0.130 0.000 0.752 120 L CB -0.568 41.559 42.059 0.114 0.000 0.906 120 L HN 0.164 nan 8.230 nan 0.000 0.436 121 A N 0.188 123.077 122.820 0.114 0.000 1.972 121 A HA -0.165 4.158 4.320 0.005 0.000 0.219 121 A C 2.155 179.806 177.584 0.113 0.000 1.169 121 A CA 1.321 53.422 52.037 0.107 0.000 0.635 121 A CB -0.404 18.650 19.000 0.090 0.000 0.810 121 A HN 0.372 nan 8.150 nan 0.000 0.446 122 R N -1.030 119.531 120.500 0.101 0.000 2.356 122 R HA 0.230 4.573 4.340 0.005 0.000 0.234 122 R C 1.058 177.420 176.300 0.105 0.000 0.929 122 R CA 0.383 56.533 56.100 0.084 0.000 1.084 122 R CB -0.202 30.133 30.300 0.058 0.000 1.105 122 R HN 0.576 nan 8.270 nan 0.000 0.515 123 G N 2.200 111.094 108.800 0.158 0.000 2.321 123 G HA2 -0.351 3.612 3.960 0.005 0.000 0.287 123 G HA3 -0.351 3.612 3.960 0.005 0.000 0.287 123 G C 0.542 175.535 174.900 0.154 0.000 1.018 123 G CA 1.002 46.226 45.100 0.206 0.000 0.855 123 G HN 0.568 nan 8.290 nan 0.000 0.507 124 E N -1.176 119.091 120.200 0.113 0.000 2.340 124 E HA 0.301 4.654 4.350 0.005 0.000 0.194 124 E C 1.190 177.803 176.600 0.021 0.000 0.996 124 E CA 0.229 56.666 56.400 0.063 0.000 0.869 124 E CB 0.083 29.805 29.700 0.036 0.000 0.835 124 E HN 0.624 nan 8.360 nan 0.000 0.493 125 M N 1.754 121.395 119.600 0.069 0.000 2.182 125 M HA 0.241 4.724 4.480 0.005 0.000 0.266 125 M C -1.770 174.692 176.300 0.270 0.000 0.989 125 M CA -0.622 54.690 55.300 0.019 0.000 1.003 125 M CB 1.995 34.538 32.600 -0.094 0.000 1.812 125 M HN -0.102 nan 8.290 nan 0.000 0.472 126 V N 5.045 125.259 119.914 0.500 0.000 2.607 126 V HA 0.967 5.090 4.120 0.005 0.000 0.289 126 V C 0.075 176.270 176.094 0.169 0.000 1.053 126 V CA 0.439 62.922 62.300 0.305 0.000 0.996 126 V CB 1.312 33.331 31.823 0.327 0.000 0.995 126 V HN 0.988 nan 8.190 nan 0.000 0.476 127 G N 4.153 112.980 108.800 0.045 0.000 2.644 127 G HA2 0.741 4.704 3.960 0.005 0.000 0.307 127 G HA3 0.741 4.704 3.960 0.005 0.000 0.307 127 G C -0.640 174.253 174.900 -0.011 0.000 1.250 127 G CA -0.194 44.906 45.100 0.000 0.000 0.996 127 G HN 1.580 nan 8.290 nan 0.000 0.489 128 C N -2.373 116.945 119.300 0.030 0.000 3.236 128 C HA 0.865 5.328 4.460 0.005 0.000 0.312 128 C C -1.211 173.896 174.990 0.195 0.000 1.374 128 C CA -1.427 57.645 59.018 0.091 0.000 1.455 128 C CB 0.980 28.774 27.740 0.090 0.000 1.834 128 C HN 0.720 nan 8.230 nan 0.000 0.460 129 F N 1.280 121.270 119.950 0.066 0.000 2.496 129 F HA 0.653 5.183 4.527 0.005 0.000 0.341 129 F C 0.299 176.202 175.800 0.172 0.000 1.134 129 F CA -0.133 57.952 58.000 0.141 0.000 0.968 129 F CB 1.301 40.392 39.000 0.151 0.000 1.205 129 F HN 1.075 nan 8.300 nan 0.000 0.436 130 G N 6.669 115.440 108.800 -0.048 0.000 2.741 130 G HA2 0.421 4.383 3.960 0.005 0.000 0.336 130 G HA3 0.421 4.383 3.960 0.005 0.000 0.336 130 G C -0.398 174.505 174.900 0.004 0.000 1.022 130 G CA -0.241 44.866 45.100 0.012 0.000 1.193 130 G HN 0.736 nan 8.290 nan 0.000 0.455 131 L N 2.249 123.505 121.223 0.054 0.000 2.588 131 L HA 0.391 4.734 4.340 0.005 0.000 0.194 131 L C 1.452 178.385 176.870 0.104 0.000 1.070 131 L CA 0.855 55.738 54.840 0.072 0.000 0.852 131 L CB -0.084 42.017 42.059 0.069 0.000 1.199 131 L HN 0.274 nan 8.230 nan 0.000 0.486 132 T N 1.903 116.550 114.554 0.155 0.000 2.928 132 T HA 0.162 4.515 4.350 0.005 0.000 0.305 132 T C -0.143 174.621 174.700 0.107 0.000 1.035 132 T CA 0.249 62.440 62.100 0.151 0.000 1.145 132 T CB 0.265 69.273 68.868 0.234 0.000 0.963 132 T HN 0.252 nan 8.240 nan 0.000 0.545 133 E N 2.723 122.972 120.200 0.082 0.000 2.359 133 E HA 0.257 4.610 4.350 0.005 0.000 0.266 133 E C -1.759 174.868 176.600 0.045 0.000 0.920 133 E CA -2.384 54.037 56.400 0.035 0.000 0.788 133 E CB 1.522 31.227 29.700 0.008 0.000 1.279 133 E HN 0.208 nan 8.360 nan 0.000 0.438 134 P HA -0.175 nan 4.420 nan 0.000 0.218 134 P C 0.089 177.413 177.300 0.041 0.000 1.146 134 P CA 1.279 64.382 63.100 0.005 0.000 0.820 134 P CB 0.209 31.886 31.700 -0.039 0.000 0.778 135 D N -1.661 118.757 120.400 0.031 0.000 2.355 135 D HA 0.227 4.870 4.640 0.005 0.000 0.218 135 D C 0.926 177.255 176.300 0.049 0.000 1.004 135 D CA 0.789 54.809 54.000 0.033 0.000 0.880 135 D CB -0.023 40.783 40.800 0.012 0.000 0.911 135 D HN 0.115 nan 8.370 nan 0.000 0.528 136 G N -0.742 108.099 108.800 0.070 0.000 2.693 136 G HA2 0.200 4.163 3.960 0.005 0.000 0.290 136 G HA3 0.200 4.163 3.960 0.005 0.000 0.290 136 G C 0.690 175.633 174.900 0.072 0.000 1.378 136 G CA -0.376 44.768 45.100 0.074 0.000 1.120 136 G HN 0.078 nan 8.290 nan 0.000 0.609 137 G N 0.363 109.221 108.800 0.095 0.000 2.679 137 G HA2 0.177 4.140 3.960 0.005 0.000 0.212 137 G HA3 0.177 4.140 3.960 0.005 0.000 0.212 137 G C 1.632 176.563 174.900 0.052 0.000 1.137 137 G CA 1.565 46.719 45.100 0.089 0.000 0.787 137 G HN 0.863 nan 8.290 nan 0.000 0.534 138 S N -0.120 115.603 115.700 0.039 0.000 2.461 138 S HA -0.003 4.470 4.470 0.005 0.000 0.228 138 S C 0.677 175.291 174.600 0.024 0.000 1.005 138 S CA 0.395 58.610 58.200 0.025 0.000 0.942 138 S CB 0.136 63.354 63.200 0.030 0.000 0.776 138 S HN 0.371 nan 8.310 nan 0.000 0.514 139 D N 1.204 121.619 120.400 0.026 0.000 2.460 139 D HA 0.242 4.885 4.640 0.005 0.000 0.268 139 D C -1.919 174.391 176.300 0.016 0.000 1.153 139 D CA -2.270 51.739 54.000 0.015 0.000 0.929 139 D CB 1.145 41.963 40.800 0.030 0.000 1.015 139 D HN 0.070 nan 8.370 nan 0.000 0.502 140 P HA -0.098 nan 4.420 nan 0.000 0.236 140 P C 0.992 178.309 177.300 0.029 0.000 1.177 140 P CA 0.354 63.463 63.100 0.014 0.000 0.773 140 P CB 0.240 31.940 31.700 -0.001 0.000 0.878 141 Y N 1.240 121.502 120.300 -0.064 0.000 2.301 141 Y HA 0.248 4.801 4.550 0.005 0.000 0.295 141 Y C 2.552 178.434 175.900 -0.029 0.000 1.119 141 Y CA 1.661 59.729 58.100 -0.053 0.000 1.162 141 Y CB -0.855 37.562 38.460 -0.072 0.000 1.046 141 Y HN -0.120 nan 8.280 nan 0.000 0.538 142 G N 0.257 109.057 108.800 0.000 0.000 2.432 142 G HA2 -0.245 3.718 3.960 0.005 0.000 0.219 142 G HA3 -0.245 3.718 3.960 0.005 0.000 0.219 142 G C 1.230 176.070 174.900 -0.100 0.000 1.135 142 G CA 0.979 46.044 45.100 -0.057 0.000 0.767 142 G HN 0.374 nan 8.290 nan 0.000 0.550 143 N N -0.131 118.529 118.700 -0.068 0.000 2.230 143 N HA 0.125 4.868 4.740 0.005 0.000 0.202 143 N C 0.565 176.036 175.510 -0.065 0.000 1.119 143 N CA -0.180 52.840 53.050 -0.051 0.000 0.851 143 N CB 0.319 38.801 38.487 -0.008 0.000 0.990 143 N HN 0.313 nan 8.380 nan 0.000 0.497 144 M N 1.389 120.920 119.600 -0.114 0.000 2.618 144 M HA 0.083 4.566 4.480 0.005 0.000 0.322 144 M C -0.220 176.018 176.300 -0.103 0.000 1.471 144 M CA 0.184 55.428 55.300 -0.094 0.000 1.450 144 M CB -0.032 32.501 32.600 -0.112 0.000 1.444 144 M HN -0.224 nan 8.290 nan 0.000 0.471 145 K N 1.553 121.914 120.400 -0.066 0.000 2.397 145 K HA 0.169 4.492 4.320 0.005 0.000 0.202 145 K C -0.082 176.493 176.600 -0.042 0.000 1.022 145 K CA 0.019 56.270 56.287 -0.059 0.000 1.141 145 K CB 0.400 32.870 32.500 -0.050 0.000 0.857 145 K HN 0.482 nan 8.250 nan 0.000 0.514 146 T N 2.349 116.884 114.554 -0.032 0.000 2.814 146 T HA 0.186 4.539 4.350 0.005 0.000 0.297 146 T C 0.154 174.847 174.700 -0.011 0.000 0.956 146 T CA -0.237 61.848 62.100 -0.026 0.000 1.123 146 T CB 0.525 69.382 68.868 -0.018 0.000 0.902 146 T HN 0.002 nan 8.240 nan 0.000 0.528 147 R N 1.571 122.062 120.500 -0.014 0.000 2.643 147 R HA 0.799 5.142 4.340 0.005 0.000 0.272 147 R C -0.620 175.687 176.300 0.011 0.000 0.995 147 R CA -0.876 55.232 56.100 0.013 0.000 1.032 147 R CB 1.757 32.066 30.300 0.014 0.000 1.126 147 R HN 0.671 nan 8.270 nan 0.000 0.505 148 A N 2.458 125.329 122.820 0.086 0.000 2.385 148 A HA 0.586 4.909 4.320 0.005 0.000 0.290 148 A C -0.732 177.069 177.584 0.362 0.000 1.094 148 A CA -0.739 51.388 52.037 0.148 0.000 0.729 148 A CB 1.161 20.222 19.000 0.101 0.000 1.194 148 A HN 0.596 nan 8.150 nan 0.000 0.442 149 R N 1.398 122.069 120.500 0.285 0.000 2.480 149 R HA 0.532 4.875 4.340 0.005 0.000 0.306 149 R C -0.001 176.276 176.300 -0.038 0.000 0.958 149 R CA -0.784 55.407 56.100 0.151 0.000 0.861 149 R CB 2.452 32.779 30.300 0.045 0.000 1.171 149 R HN 0.866 nan 8.270 nan 0.000 0.445 154 T N -2.812 111.666 114.554 -0.126 0.000 2.903 154 T HA 0.722 5.075 4.350 0.005 0.000 0.299 154 T C -1.005 173.624 174.700 -0.117 0.000 1.093 154 T CA -0.679 61.415 62.100 -0.010 0.000 1.002 154 T CB 1.738 70.613 68.868 0.012 0.000 1.127 154 T HN -0.043 nan 8.240 nan 0.000 0.488 155 W N 0.797 122.082 121.300 -0.025 0.000 2.606 155 W HA 0.658 5.321 4.660 0.005 0.000 0.332 155 W C -0.644 175.787 176.519 -0.147 0.000 1.052 155 W CA -0.973 56.325 57.345 -0.079 0.000 1.223 155 W CB 1.839 31.229 29.460 -0.118 0.000 1.383 155 W HN 0.645 nan 8.180 nan 0.000 0.524 156 V N 5.381 125.348 119.914 0.089 0.000 2.357 156 V HA 0.525 4.648 4.120 0.005 0.000 0.284 156 V C -1.119 174.953 176.094 -0.037 0.000 1.018 156 V CA -0.780 61.522 62.300 0.003 0.000 0.841 156 V CB 0.578 32.397 31.823 -0.006 0.000 0.991 156 V HN 0.373 nan 8.190 nan 0.000 0.437 157 L N 6.897 128.057 121.223 -0.105 0.000 2.317 157 L HA 0.656 4.999 4.340 0.005 0.000 0.281 157 L C 0.061 176.884 176.870 -0.079 0.000 1.024 157 L CA -0.015 54.739 54.840 -0.143 0.000 0.810 157 L CB 1.693 43.595 42.059 -0.263 0.000 1.240 157 L HN 0.598 nan 8.230 nan 0.000 0.427 158 N N 1.856 120.516 118.700 -0.067 0.000 2.454 158 N HA 0.793 5.536 4.740 0.005 0.000 0.291 158 N C -0.488 174.987 175.510 -0.058 0.000 1.079 158 N CA -0.257 52.760 53.050 -0.055 0.000 0.893 158 N CB 2.628 41.091 38.487 -0.040 0.000 1.512 158 N HN 0.777 nan 8.380 nan 0.000 0.497 159 G N 0.107 108.865 108.800 -0.071 0.000 2.315 159 G HA2 0.355 4.318 3.960 0.005 0.000 0.294 159 G HA3 0.355 4.318 3.960 0.005 0.000 0.294 159 G C -1.695 173.148 174.900 -0.095 0.000 1.300 159 G CA -0.393 44.665 45.100 -0.070 0.000 0.843 159 G HN 0.302 nan 8.290 nan 0.000 0.527 160 T N 0.803 115.305 114.554 -0.088 0.000 2.909 160 T HA 0.702 5.055 4.350 0.005 0.000 0.299 160 T C -1.059 173.587 174.700 -0.089 0.000 1.073 160 T CA -0.740 61.293 62.100 -0.112 0.000 0.999 160 T CB 1.951 70.753 68.868 -0.110 0.000 1.098 160 T HN 0.447 nan 8.240 nan 0.000 0.477 161 K N 2.225 122.561 120.400 -0.106 0.000 2.378 161 K HA 0.625 4.948 4.320 0.005 0.000 0.252 161 K C -0.987 175.554 176.600 -0.099 0.000 0.931 161 K CA -0.912 55.339 56.287 -0.061 0.000 0.794 161 K CB 2.175 34.658 32.500 -0.028 0.000 1.181 161 K HN 0.375 nan 8.250 nan 0.000 0.425 162 M N 0.975 120.526 119.600 -0.081 0.000 2.528 162 M HA 0.297 4.779 4.480 0.005 0.000 0.321 162 M C -0.891 175.377 176.300 -0.054 0.000 1.153 162 M CA -0.734 54.414 55.300 -0.253 0.000 0.951 162 M CB 0.698 33.047 32.600 -0.419 0.000 1.705 162 M HN 0.660 nan 8.290 nan 0.000 0.451 163 W N 2.990 124.323 121.300 0.055 0.000 5.563 163 W HA -0.187 4.476 4.660 0.004 0.000 0.396 163 W C -0.590 175.990 176.519 0.101 0.000 1.519 163 W CA -0.385 57.010 57.345 0.083 0.000 0.953 163 W CB -1.794 27.729 29.460 0.105 0.000 2.691 163 W HN 0.295 nan 8.180 nan 0.000 1.444 164 I N 0.927 121.624 120.570 0.211 0.000 2.304 164 I HA 0.166 4.339 4.170 0.005 0.000 0.291 164 I C 1.281 177.498 176.117 0.167 0.000 1.018 164 I CA -0.513 60.901 61.300 0.189 0.000 1.260 164 I CB 0.221 38.299 38.000 0.131 0.000 1.390 164 I HN -0.137 nan 8.210 nan 0.000 0.475 165 T N 6.785 121.440 114.554 0.168 0.000 2.930 165 T HA 0.052 4.405 4.350 0.005 0.000 0.306 165 T C 0.984 175.728 174.700 0.073 0.000 1.045 165 T CA 0.175 62.348 62.100 0.121 0.000 1.134 165 T CB 0.080 69.006 68.868 0.098 0.000 0.961 165 T HN 0.599 nan 8.240 nan 0.000 0.545 166 N N 0.514 119.238 118.700 0.040 0.000 2.778 166 N HA -0.178 4.565 4.740 0.005 0.000 0.249 166 N C 1.403 176.937 175.510 0.040 0.000 1.069 166 N CA 1.123 54.187 53.050 0.022 0.000 0.831 166 N CB -1.453 37.034 38.487 -0.000 0.000 1.142 166 N HN 0.853 nan 8.380 nan 0.000 0.573 167 G N 0.087 108.924 108.800 0.061 0.000 2.513 167 G HA2 -0.302 3.661 3.960 0.005 0.000 0.219 167 G HA3 -0.302 3.661 3.960 0.005 0.000 0.219 167 G C 1.310 176.246 174.900 0.061 0.000 1.160 167 G CA 1.438 46.581 45.100 0.071 0.000 0.767 167 G HN 0.501 nan 8.290 nan 0.000 0.571 168 N N -0.459 118.262 118.700 0.036 0.000 2.336 168 N HA 0.258 5.001 4.740 0.005 0.000 0.189 168 N C 1.730 177.234 175.510 -0.010 0.000 1.113 168 N CA 0.020 53.083 53.050 0.021 0.000 0.858 168 N CB 0.367 38.867 38.487 0.020 0.000 0.970 168 N HN 0.302 nan 8.380 nan 0.000 0.471 169 L N -0.784 120.427 121.223 -0.020 0.000 2.470 169 L HA 0.405 4.748 4.340 0.005 0.000 0.219 169 L C 0.749 177.509 176.870 -0.183 0.000 1.071 169 L CA -0.242 54.566 54.840 -0.052 0.000 0.850 169 L CB -0.088 41.990 42.059 0.031 0.000 1.040 169 L HN 0.023 nan 8.230 nan 0.000 0.475 170 A N -0.383 122.363 122.820 -0.124 0.000 2.462 170 A HA 0.120 4.443 4.320 0.005 0.000 0.243 170 A C 0.302 177.720 177.584 -0.277 0.000 1.076 170 A CA 0.077 52.021 52.037 -0.155 0.000 0.773 170 A CB -0.004 18.976 19.000 -0.034 0.000 1.010 170 A HN 0.358 nan 8.150 nan 0.000 0.493 171 H N 0.778 119.830 119.070 -0.029 0.000 2.604 171 H HA 0.327 4.886 4.556 0.004 0.000 0.273 171 H C -0.266 174.971 175.328 -0.151 0.000 0.971 171 H CA 0.146 56.156 56.048 -0.064 0.000 1.249 171 H CB 0.277 30.025 29.762 -0.022 0.000 1.449 171 H HN 0.407 nan 8.280 nan 0.000 0.512 172 L N 1.011 122.211 121.223 -0.038 0.000 2.362 172 L HA 0.730 5.073 4.340 0.005 0.000 0.275 172 L C -0.975 175.796 176.870 -0.165 0.000 0.998 172 L CA -0.912 53.814 54.840 -0.190 0.000 0.820 172 L CB 1.464 43.338 42.059 -0.308 0.000 1.270 172 L HN 0.084 nan 8.230 nan 0.000 0.415 173 A N 4.708 127.404 122.820 -0.208 0.000 2.332 173 A HA 0.640 4.963 4.320 0.005 0.000 0.300 173 A C -1.049 176.449 177.584 -0.143 0.000 1.153 173 A CA -0.552 51.421 52.037 -0.106 0.000 0.764 173 A CB 1.057 20.053 19.000 -0.007 0.000 1.174 173 A HN 0.420 nan 8.150 nan 0.000 0.467 174 V N 4.366 124.198 119.914 -0.136 0.000 2.381 174 V HA 0.114 4.237 4.120 0.005 0.000 0.257 174 V C -0.177 175.645 176.094 -0.453 0.000 1.057 174 V CA 0.335 62.459 62.300 -0.294 0.000 1.013 174 V CB -0.445 31.290 31.823 -0.147 0.000 1.069 174 V HN 0.672 nan 8.190 nan 0.000 0.484 175 I N 4.739 125.043 120.570 -0.443 0.000 2.392 175 I HA 0.456 4.629 4.170 0.005 0.000 0.295 175 I C -0.399 175.385 176.117 -0.555 0.000 0.985 175 I CA -0.334 60.758 61.300 -0.348 0.000 1.221 175 I CB 1.539 39.487 38.000 -0.086 0.000 1.366 175 I HN 0.512 nan 8.210 nan 0.000 0.467 176 W N 6.435 127.674 121.300 -0.103 0.000 2.376 176 W HA 0.781 5.444 4.660 0.005 0.000 0.312 176 W C -0.052 176.457 176.519 -0.018 0.000 1.060 176 W CA -0.366 56.928 57.345 -0.086 0.000 1.221 176 W CB 1.346 30.701 29.460 -0.175 0.000 1.281 176 W HN 0.585 nan 8.180 nan 0.000 0.456 177 A N 2.738 125.689 122.820 0.218 0.000 2.524 177 A HA 0.882 5.205 4.320 0.005 0.000 0.286 177 A C -1.023 176.648 177.584 0.145 0.000 1.203 177 A CA -1.086 51.039 52.037 0.147 0.000 0.736 177 A CB 1.799 20.860 19.000 0.103 0.000 1.322 177 A HN 0.542 nan 8.150 nan 0.000 0.424 178 K N -0.081 120.374 120.400 0.091 0.000 2.295 178 K HA 0.536 4.859 4.320 0.005 0.000 0.239 178 K C -1.378 175.295 176.600 0.122 0.000 0.991 178 K CA -0.678 55.662 56.287 0.088 0.000 0.845 178 K CB 1.645 34.153 32.500 0.014 0.000 1.197 178 K HN 0.861 nan 8.250 nan 0.000 0.441 184 V N 5.320 125.324 119.914 0.151 0.000 2.488 184 V HA 0.466 4.589 4.120 0.005 0.000 0.277 184 V C 0.266 176.396 176.094 0.060 0.000 1.046 184 V CA -0.135 62.246 62.300 0.135 0.000 0.986 184 V CB 0.372 32.287 31.823 0.154 0.000 0.989 184 V HN 0.629 nan 8.190 nan 0.000 0.475 185 L N 3.479 124.710 121.223 0.014 0.000 2.309 185 L HA 0.903 5.246 4.340 0.005 0.000 0.261 185 L C 0.361 176.980 176.870 -0.419 0.000 1.021 185 L CA -0.638 54.036 54.840 -0.276 0.000 0.823 185 L CB 2.403 44.121 42.059 -0.567 0.000 1.366 185 L HN 0.735 nan 8.230 nan 0.000 0.423 186 G N 0.644 108.921 108.800 -0.871 0.000 2.609 186 G HA2 0.699 4.662 3.960 0.005 0.000 0.308 186 G HA3 0.699 4.662 3.960 0.005 0.000 0.308 186 G C -1.516 172.639 174.900 -1.243 0.000 1.369 186 G CA -0.202 44.131 45.100 -1.278 0.000 0.958 186 G HN 0.211 nan 8.290 nan 0.000 0.499 187 F N 0.863 120.410 119.950 -0.673 0.000 2.522 187 F HA 0.506 5.035 4.527 0.005 0.000 0.324 187 F C 0.341 175.896 175.800 -0.409 0.000 1.077 187 F CA -1.057 56.666 58.000 -0.462 0.000 0.944 187 F CB 2.284 41.055 39.000 -0.382 0.000 1.175 187 F HN 0.101 nan 8.300 nan 0.000 0.468 188 L N 3.987 125.133 121.223 -0.129 0.000 2.315 188 L HA 0.400 4.743 4.340 0.005 0.000 0.278 188 L C -0.833 175.940 176.870 -0.161 0.000 1.088 188 L CA -0.634 54.082 54.840 -0.205 0.000 0.899 188 L CB 0.378 42.300 42.059 -0.228 0.000 1.277 188 L HN 0.337 nan 8.230 nan 0.000 0.431 189 V N 4.626 124.426 119.914 -0.189 0.000 2.368 189 V HA 0.253 4.376 4.120 0.005 0.000 0.266 189 V C -1.974 173.909 176.094 -0.352 0.000 1.045 189 V CA -1.702 60.463 62.300 -0.225 0.000 0.899 189 V CB 1.070 32.768 31.823 -0.209 0.000 1.006 189 V HN 0.488 nan 8.190 nan 0.000 0.470 190 P HA 0.096 nan 4.420 nan 0.000 0.269 190 P C 1.074 178.071 177.300 -0.505 0.000 1.209 190 P CA 0.051 62.988 63.100 -0.272 0.000 0.776 190 P CB 0.546 32.169 31.700 -0.127 0.000 0.876 191 T N -2.505 111.762 114.554 -0.479 0.000 3.113 191 T HA -0.068 4.285 4.350 0.005 0.000 0.256 191 T C 0.785 175.318 174.700 -0.278 0.000 1.131 191 T CA 0.745 62.431 62.100 -0.690 0.000 1.074 191 T CB -0.575 68.097 68.868 -0.327 0.000 0.944 191 T HN 0.382 nan 8.240 nan 0.000 0.516 192 D N 1.278 121.587 120.400 -0.152 0.000 2.369 192 D HA 0.026 4.669 4.640 0.005 0.000 0.211 192 D C 0.985 177.273 176.300 -0.021 0.000 1.077 192 D CA -0.013 53.966 54.000 -0.034 0.000 0.842 192 D CB -0.759 40.040 40.800 -0.002 0.000 0.947 192 D HN 0.441 nan 8.370 nan 0.000 0.509 193 T N 1.001 115.515 114.554 -0.067 0.000 2.902 193 T HA 0.186 4.539 4.350 0.005 0.000 0.301 193 T C -2.137 172.584 174.700 0.035 0.000 1.012 193 T CA -1.307 60.779 62.100 -0.023 0.000 1.151 193 T CB 0.631 69.469 68.868 -0.050 0.000 0.946 193 T HN -0.087 nan 8.240 nan 0.000 0.542 194 P HA 0.180 nan 4.420 nan 0.000 0.264 194 P C 1.079 178.418 177.300 0.065 0.000 1.179 194 P CA 1.019 64.147 63.100 0.047 0.000 0.763 194 P CB 0.123 31.838 31.700 0.026 0.000 0.806 195 G N 1.368 110.207 108.800 0.065 0.000 2.175 195 G HA2 -0.261 3.702 3.960 0.005 0.000 0.244 195 G HA3 -0.261 3.702 3.960 0.005 0.000 0.244 195 G C -0.284 174.663 174.900 0.078 0.000 0.982 195 G CA -0.229 44.901 45.100 0.050 0.000 0.641 195 G HN 0.552 nan 8.290 nan 0.000 0.527 196 F N 2.613 122.540 119.950 -0.038 0.000 2.388 196 F HA 0.696 5.225 4.527 0.005 0.000 0.358 196 F C -0.054 175.724 175.800 -0.038 0.000 1.122 196 F CA -0.783 57.191 58.000 -0.043 0.000 1.056 196 F CB 1.122 40.095 39.000 -0.045 0.000 1.155 196 F HN 0.020 nan 8.300 nan 0.000 0.461 197 Q N 4.990 124.600 119.800 -0.317 0.000 2.353 197 Q HA 0.676 5.019 4.340 0.005 0.000 0.268 197 Q C -1.229 174.588 176.000 -0.304 0.000 1.045 197 Q CA -0.940 54.754 55.803 -0.181 0.000 0.811 197 Q CB 2.157 30.816 28.738 -0.132 0.000 1.305 197 Q HN 0.745 nan 8.270 nan 0.000 0.447 198 A N 3.104 125.859 122.820 -0.108 0.000 2.332 198 A HA 0.711 5.034 4.320 0.005 0.000 0.300 198 A C -0.595 176.958 177.584 -0.052 0.000 1.153 198 A CA -0.685 51.301 52.037 -0.084 0.000 0.764 198 A CB 0.921 19.953 19.000 0.053 0.000 1.174 198 A HN 0.600 nan 8.150 nan 0.000 0.467 199 R N 2.254 122.708 120.500 -0.077 0.000 2.534 199 R HA 0.391 4.734 4.340 0.005 0.000 0.301 199 R C -0.796 175.473 176.300 -0.051 0.000 0.961 199 R CA -0.621 55.444 56.100 -0.058 0.000 0.871 199 R CB 2.266 32.521 30.300 -0.075 0.000 1.170 199 R HN 0.812 nan 8.270 nan 0.000 0.446 200 E N 1.363 121.548 120.200 -0.025 0.000 2.390 200 E HA 0.116 4.469 4.350 0.005 0.000 0.261 200 E C -0.366 176.224 176.600 -0.018 0.000 1.076 200 E CA -0.312 56.083 56.400 -0.007 0.000 0.905 200 E CB 1.185 30.892 29.700 0.011 0.000 0.984 200 E HN 0.145 nan 8.360 nan 0.000 0.427 201 V N 3.872 123.790 119.914 0.006 0.000 2.465 201 V HA 0.137 4.260 4.120 0.005 0.000 0.279 201 V C 0.246 176.372 176.094 0.053 0.000 1.045 201 V CA -0.365 61.943 62.300 0.014 0.000 0.938 201 V CB 0.870 32.738 31.823 0.076 0.000 0.986 201 V HN 0.516 nan 8.190 nan 0.000 0.467 202 K N 3.836 124.260 120.400 0.040 0.000 2.258 202 K HA 0.629 4.952 4.320 0.005 0.000 0.236 202 K C 0.210 176.844 176.600 0.058 0.000 1.008 202 K CA -0.930 55.380 56.287 0.039 0.000 0.869 202 K CB 0.857 33.368 32.500 0.019 0.000 1.171 202 K HN 0.464 nan 8.250 nan 0.000 0.447 203 R N -0.463 120.060 120.500 0.038 0.000 3.532 203 R HA -0.151 4.192 4.340 0.005 0.000 0.284 203 R C -0.813 175.519 176.300 0.053 0.000 1.140 203 R CA 0.497 56.621 56.100 0.041 0.000 0.768 203 R CB -2.419 27.913 30.300 0.053 0.000 1.252 203 R HN 0.603 nan 8.270 nan 0.000 0.454 204 K N 0.432 120.851 120.400 0.031 0.000 2.258 204 K HA 0.264 4.587 4.320 0.005 0.000 0.284 204 K C 1.182 177.761 176.600 -0.035 0.000 1.051 204 K CA -0.331 55.972 56.287 0.027 0.000 0.923 204 K CB 0.524 33.039 32.500 0.025 0.000 1.046 204 K HN -0.138 nan 8.250 nan 0.000 0.474 205 M N 1.148 120.759 119.600 0.018 0.000 2.371 205 M HA 0.114 4.597 4.480 0.005 0.000 0.246 205 M C -0.078 176.321 176.300 0.165 0.000 1.103 205 M CA 0.304 55.642 55.300 0.063 0.000 1.010 205 M CB 0.035 32.696 32.600 0.102 0.000 1.457 205 M HN 0.391 nan 8.290 nan 0.000 0.486 206 S N -0.469 115.295 115.700 0.107 0.000 2.546 206 S HA 0.577 5.050 4.470 0.005 0.000 0.274 206 S C -0.209 174.475 174.600 0.141 0.000 1.121 206 S CA -0.588 57.732 58.200 0.199 0.000 0.887 206 S CB 0.861 64.128 63.200 0.111 0.000 1.094 206 S HN 0.231 nan 8.310 nan 0.000 0.474 207 L N 3.108 124.491 121.223 0.267 0.000 3.660 207 L HA -0.161 4.182 4.340 0.005 0.000 0.440 207 L C 1.140 178.061 176.870 0.085 0.000 1.262 207 L CA 0.868 55.844 54.840 0.228 0.000 0.837 207 L CB -0.822 41.340 42.059 0.172 0.000 1.689 207 L HN 0.855 nan 8.230 nan 0.000 0.890 208 R N 0.009 120.393 120.500 -0.194 0.000 2.148 208 R HA 0.181 4.524 4.340 0.005 0.000 0.223 208 R C 1.284 177.501 176.300 -0.140 0.000 1.088 208 R CA 0.938 56.789 56.100 -0.415 0.000 0.985 208 R CB 0.043 29.662 30.300 -1.134 0.000 0.880 208 R HN 0.632 nan 8.270 nan 0.000 0.451 209 A N 1.344 124.204 122.820 0.066 0.000 3.091 209 A HA 0.298 4.621 4.320 0.005 0.000 0.264 209 A C -0.332 177.513 177.584 0.434 0.000 1.673 209 A CA 0.047 52.250 52.037 0.276 0.000 1.362 209 A CB 0.061 19.307 19.000 0.410 0.000 1.137 209 A HN 0.116 nan 8.150 nan 0.000 0.617 210 S N -0.046 115.867 115.700 0.354 0.000 2.680 210 S HA 0.353 4.826 4.470 0.005 0.000 0.284 210 S C -1.177 173.525 174.600 0.169 0.000 1.055 210 S CA 0.086 58.478 58.200 0.319 0.000 0.849 210 S CB 0.760 64.126 63.200 0.277 0.000 1.068 210 S HN 1.634 nan 8.310 nan 0.000 0.453 211 V N 2.580 122.539 119.914 0.075 0.000 2.394 211 V HA 0.922 5.045 4.120 0.005 0.000 0.282 211 V C -0.554 175.595 176.094 0.092 0.000 1.031 211 V CA 0.176 62.521 62.300 0.074 0.000 0.881 211 V CB 1.074 32.925 31.823 0.046 0.000 0.982 211 V HN 0.928 nan 8.190 nan 0.000 0.451 212 T N 5.213 119.838 114.554 0.119 0.000 2.824 212 T HA 0.704 5.057 4.350 0.005 0.000 0.282 212 T C -0.240 174.524 174.700 0.106 0.000 0.993 212 T CA -0.435 61.763 62.100 0.163 0.000 0.967 212 T CB 1.534 70.561 68.868 0.265 0.000 0.960 212 T HN 0.905 nan 8.240 nan 0.000 0.441 213 S N 1.560 117.305 115.700 0.075 0.000 2.704 213 S HA 0.617 5.090 4.470 0.005 0.000 0.296 213 S C -1.002 173.559 174.600 -0.065 0.000 1.138 213 S CA -1.087 57.113 58.200 0.001 0.000 0.875 213 S CB 2.162 65.366 63.200 0.008 0.000 1.151 213 S HN 0.795 nan 8.310 nan 0.000 0.500 214 E N 1.121 121.249 120.200 -0.121 0.000 2.176 214 E HA 0.493 4.846 4.350 0.005 0.000 0.267 214 E C -1.555 174.939 176.600 -0.178 0.000 0.893 214 E CA -0.505 55.787 56.400 -0.180 0.000 0.761 214 E CB 0.710 30.277 29.700 -0.220 0.000 1.133 214 E HN 0.476 nan 8.360 nan 0.000 0.409 215 L N 3.995 125.100 121.223 -0.198 0.000 2.295 215 L HA 0.514 4.857 4.340 0.005 0.000 0.285 215 L C -0.691 175.971 176.870 -0.347 0.000 1.035 215 L CA -1.080 53.563 54.840 -0.328 0.000 0.806 215 L CB 1.677 43.557 42.059 -0.298 0.000 1.214 215 L HN 0.330 nan 8.230 nan 0.000 0.426 216 V N 4.834 124.481 119.914 -0.445 0.000 2.443 216 V HA 0.378 4.501 4.120 0.005 0.000 0.293 216 V C -0.361 175.499 176.094 -0.389 0.000 1.021 216 V CA -0.401 61.706 62.300 -0.323 0.000 0.848 216 V CB 1.968 33.656 31.823 -0.224 0.000 0.998 216 V HN 0.447 nan 8.190 nan 0.000 0.424 217 L N 4.575 125.636 121.223 -0.271 0.000 2.276 217 L HA 0.538 4.881 4.340 0.005 0.000 0.286 217 L C 0.125 176.937 176.870 -0.098 0.000 1.024 217 L CA 0.189 54.925 54.840 -0.173 0.000 0.826 217 L CB 1.380 43.379 42.059 -0.099 0.000 1.211 217 L HN 0.629 nan 8.230 nan 0.000 0.422 218 E N 2.661 122.822 120.200 -0.065 0.000 2.149 218 E HA 0.243 4.596 4.350 0.005 0.000 0.255 218 E C -0.447 176.140 176.600 -0.023 0.000 0.888 218 E CA -0.454 55.919 56.400 -0.046 0.000 0.742 218 E CB 0.647 30.319 29.700 -0.046 0.000 1.164 218 E HN 0.475 nan 8.360 nan 0.000 0.422 219 E N 1.348 121.533 120.200 -0.025 0.000 2.297 219 E HA -0.168 4.185 4.350 0.005 0.000 0.228 219 E C -1.313 175.282 176.600 -0.008 0.000 1.213 219 E CA 0.292 56.681 56.400 -0.018 0.000 0.712 219 E CB -1.010 28.682 29.700 -0.015 0.000 1.202 219 E HN 0.235 nan 8.360 nan 0.000 0.376 220 V N 2.309 122.219 119.914 -0.007 0.000 2.470 220 V HA 0.162 4.285 4.120 0.005 0.000 0.276 220 V C 0.990 177.074 176.094 -0.017 0.000 1.040 220 V CA 0.189 62.496 62.300 0.011 0.000 1.008 220 V CB 0.908 32.766 31.823 0.059 0.000 0.990 220 V HN 0.179 nan 8.190 nan 0.000 0.477 221 R N 4.354 124.852 120.500 -0.004 0.000 2.349 221 R HA 0.727 5.070 4.340 0.005 0.000 0.299 221 R C -1.294 175.008 176.300 0.004 0.000 1.027 221 R CA -0.583 55.518 56.100 0.001 0.000 0.958 221 R CB 1.473 31.779 30.300 0.009 0.000 1.047 221 R HN 0.436 nan 8.270 nan 0.000 0.468 222 V N 3.288 123.221 119.914 0.033 0.000 2.623 222 V HA 0.307 4.430 4.120 0.005 0.000 0.304 222 V C -2.095 174.108 176.094 0.182 0.000 1.054 222 V CA -2.135 60.202 62.300 0.061 0.000 0.882 222 V CB 2.195 34.009 31.823 -0.015 0.000 1.002 222 V HN 0.723 nan 8.190 nan 0.000 0.424 223 P HA 0.087 nan 4.420 nan 0.000 0.271 223 P C 0.348 177.830 177.300 0.304 0.000 1.233 223 P CA 0.095 63.307 63.100 0.187 0.000 0.789 223 P CB 1.464 33.234 31.700 0.116 0.000 0.951 224 E N 1.545 121.938 120.200 0.321 0.000 2.268 224 E HA -0.142 4.211 4.350 0.005 0.000 0.195 224 E C 1.724 178.451 176.600 0.211 0.000 0.995 224 E CA 1.627 58.263 56.400 0.394 0.000 0.836 224 E CB -0.877 29.017 29.700 0.325 0.000 0.763 224 E HN 0.407 nan 8.360 nan 0.000 0.491 225 S N -0.764 115.025 115.700 0.149 0.000 2.555 225 S HA -0.054 4.419 4.470 0.005 0.000 0.230 225 S C 1.292 175.952 174.600 0.100 0.000 0.978 225 S CA 0.424 58.683 58.200 0.098 0.000 0.934 225 S CB -0.046 63.199 63.200 0.074 0.000 0.766 225 S HN 0.244 nan 8.310 nan 0.000 0.533 226 L N 0.879 122.175 121.223 0.122 0.000 2.808 226 L HA 0.487 4.830 4.340 0.005 0.000 0.246 226 L C 0.698 177.596 176.870 0.047 0.000 1.153 226 L CA 0.038 54.944 54.840 0.109 0.000 0.956 226 L CB -0.082 42.047 42.059 0.116 0.000 1.270 226 L HN 0.276 nan 8.230 nan 0.000 0.528 227 R N 0.069 120.568 120.500 -0.001 0.000 2.368 227 R HA 0.330 4.673 4.340 0.005 0.000 0.302 227 R C -0.728 175.423 176.300 -0.249 0.000 1.002 227 R CA -0.857 55.086 56.100 -0.262 0.000 0.929 227 R CB 0.843 30.904 30.300 -0.398 0.000 1.073 227 R HN -0.135 nan 8.270 nan 0.000 0.464 228 L N 8.338 129.346 121.223 -0.357 0.000 2.565 228 L HA 0.117 4.460 4.340 0.005 0.000 0.275 228 L C -1.328 175.437 176.870 -0.175 0.000 1.137 228 L CA -1.683 53.032 54.840 -0.208 0.000 0.915 228 L CB 0.922 42.857 42.059 -0.207 0.000 1.232 228 L HN 0.675 nan 8.230 nan 0.000 0.473 229 P HA -0.240 nan 4.420 nan 0.000 0.214 229 P C 0.963 178.238 177.300 -0.042 0.000 1.169 229 P CA 1.632 64.701 63.100 -0.053 0.000 0.908 229 P CB 0.373 32.062 31.700 -0.019 0.000 0.791 230 K N -0.295 120.112 120.400 0.011 0.000 2.432 230 K HA 0.154 4.477 4.320 0.005 0.000 0.196 230 K C 1.149 177.715 176.600 -0.056 0.000 1.038 230 K CA 0.327 56.645 56.287 0.052 0.000 0.986 230 K CB -0.568 32.040 32.500 0.179 0.000 0.782 230 K HN 0.107 nan 8.250 nan 0.000 0.485 231 A N 1.461 124.185 122.820 -0.160 0.000 2.541 231 A HA 0.255 4.578 4.320 0.005 0.000 0.293 231 A C -0.876 176.565 177.584 -0.237 0.000 1.307 231 A CA 0.084 51.897 52.037 -0.373 0.000 0.978 231 A CB -0.374 18.498 19.000 -0.213 0.000 1.111 231 A HN 0.060 nan 8.150 nan 0.000 0.535 232 L N 2.230 123.309 121.223 -0.241 0.000 2.404 232 L HA 0.759 5.102 4.340 0.005 0.000 0.272 232 L C 0.555 177.353 176.870 -0.120 0.000 0.980 232 L CA 0.719 55.480 54.840 -0.133 0.000 0.836 232 L CB 0.897 42.902 42.059 -0.090 0.000 1.238 232 L HN 1.316 nan 8.230 nan 0.000 0.408 233 G N 1.874 110.631 108.800 -0.073 0.000 2.746 233 G HA2 -0.191 3.772 3.960 0.005 0.000 0.685 233 G HA3 -0.191 3.772 3.960 0.005 0.000 0.685 233 G C 0.639 175.474 174.900 -0.109 0.000 1.350 233 G CA -0.237 44.819 45.100 -0.074 0.000 0.837 233 G HN 0.642 nan 8.290 nan 0.000 0.564 234 L N 0.482 121.640 121.223 -0.107 0.000 2.127 234 L HA -0.122 4.221 4.340 0.005 0.000 0.211 234 L C 3.093 179.850 176.870 -0.188 0.000 1.089 234 L CA 2.700 57.458 54.840 -0.136 0.000 0.757 234 L CB -0.359 41.625 42.059 -0.124 0.000 0.899 234 L HN 0.886 nan 8.230 nan 0.000 0.434 235 K N -0.429 119.880 120.400 -0.152 0.000 2.152 235 K HA -0.180 4.143 4.320 0.005 0.000 0.206 235 K C 1.880 178.409 176.600 -0.118 0.000 1.048 235 K CA 1.363 57.583 56.287 -0.112 0.000 0.933 235 K CB -0.453 32.004 32.500 -0.071 0.000 0.721 235 K HN 0.277 nan 8.250 nan 0.000 0.447 236 A N 2.883 125.553 122.820 -0.250 0.000 1.841 236 A HA -0.053 4.270 4.320 0.005 0.000 0.214 236 A C -0.067 177.348 177.584 -0.282 0.000 1.195 236 A CA 1.111 52.932 52.037 -0.361 0.000 0.611 236 A CB -1.416 17.246 19.000 -0.564 0.000 0.835 236 A HN 0.375 nan 8.150 nan 0.000 0.443 237 P HA -0.117 nan 4.420 nan 0.000 0.218 237 P C 1.543 178.739 177.300 -0.174 0.000 1.149 237 P CA 0.930 63.569 63.100 -0.768 0.000 0.817 237 P CB -0.183 30.642 31.700 -1.458 0.000 0.785 238 L N 0.511 121.634 121.223 -0.168 0.000 2.056 238 L HA -0.133 4.210 4.340 0.005 0.000 0.207 238 L C 2.897 179.762 176.870 -0.009 0.000 1.078 238 L CA 2.088 56.884 54.840 -0.073 0.000 0.749 238 L CB -1.271 40.739 42.059 -0.081 0.000 0.901 238 L HN 0.114 nan 8.230 nan 0.000 0.433 239 S N -1.196 114.543 115.700 0.065 0.000 2.399 239 S HA -0.196 4.277 4.470 0.005 0.000 0.231 239 S C 2.060 176.689 174.600 0.048 0.000 1.022 239 S CA 1.195 59.470 58.200 0.124 0.000 0.983 239 S CB -0.992 62.412 63.200 0.339 0.000 0.803 239 S HN 0.424 nan 8.310 nan 0.000 0.480 240 C N 1.394 120.781 119.300 0.145 0.000 2.466 240 C HA 0.203 4.666 4.460 0.005 0.000 0.278 240 C C 2.695 177.586 174.990 -0.166 0.000 1.288 240 C CA 0.338 59.389 59.018 0.055 0.000 1.722 240 C CB -1.532 26.343 27.740 0.226 0.000 2.017 240 C HN 0.586 nan 8.230 nan 0.000 0.488 241 L N 0.383 121.520 121.223 -0.143 0.000 2.046 241 L HA -0.148 4.195 4.340 0.005 0.000 0.208 241 L C 2.686 179.506 176.870 -0.083 0.000 1.077 241 L CA 1.673 56.424 54.840 -0.148 0.000 0.747 241 L CB -1.326 40.685 42.059 -0.080 0.000 0.896 241 L HN 0.349 nan 8.230 nan 0.000 0.432 242 T N -0.909 113.608 114.554 -0.062 0.000 2.720 242 T HA -0.215 4.138 4.350 0.005 0.000 0.268 242 T C 1.949 176.620 174.700 -0.048 0.000 1.037 242 T CA 1.198 63.277 62.100 -0.036 0.000 1.144 242 T CB -0.146 68.697 68.868 -0.041 0.000 0.864 242 T HN 0.316 nan 8.240 nan 0.000 0.444 243 Q N 0.802 120.498 119.800 -0.174 0.000 2.020 243 Q HA -0.029 4.314 4.340 0.005 0.000 0.202 243 Q C 2.814 178.840 176.000 0.045 0.000 0.982 243 Q CA 1.704 57.398 55.803 -0.183 0.000 0.838 243 Q CB -0.819 27.599 28.738 -0.534 0.000 0.899 243 Q HN 0.588 nan 8.270 nan 0.000 0.423 244 A N 1.370 124.167 122.820 -0.039 0.000 1.908 244 A HA -0.211 4.112 4.320 0.005 0.000 0.218 244 A C 2.178 179.778 177.584 0.027 0.000 1.181 244 A CA 1.576 53.608 52.037 -0.008 0.000 0.627 244 A CB -0.529 18.383 19.000 -0.147 0.000 0.818 244 A HN 0.279 nan 8.150 nan 0.000 0.445 245 R N -1.917 118.597 120.500 0.022 0.000 2.127 245 R HA -0.133 4.210 4.340 0.005 0.000 0.238 245 R C 1.929 178.264 176.300 0.060 0.000 1.134 245 R CA 1.498 57.617 56.100 0.031 0.000 0.975 245 R CB -0.501 29.813 30.300 0.024 0.000 0.865 245 R HN 0.646 nan 8.270 nan 0.000 0.447 246 F N 0.687 120.634 119.950 -0.005 0.000 2.075 246 F HA -0.094 4.436 4.527 0.005 0.000 0.297 246 F C 2.178 178.032 175.800 0.090 0.000 1.113 246 F CA 1.892 59.922 58.000 0.050 0.000 1.218 246 F CB -0.734 38.306 39.000 0.067 0.000 0.984 246 F HN -0.025 nan 8.300 nan 0.000 0.472 247 G N 0.567 109.277 108.800 -0.152 0.000 2.422 247 G HA2 -0.190 3.773 3.960 0.005 0.000 0.218 247 G HA3 -0.190 3.773 3.960 0.005 0.000 0.218 247 G C 1.792 176.560 174.900 -0.219 0.000 1.140 247 G CA 1.049 45.866 45.100 -0.472 0.000 0.775 247 G HN 0.497 nan 8.290 nan 0.000 0.545 248 I N 1.265 121.778 120.570 -0.096 0.000 2.315 248 I HA -0.130 4.043 4.170 0.005 0.000 0.248 248 I C 3.210 179.299 176.117 -0.047 0.000 1.117 248 I CA 0.800 62.087 61.300 -0.023 0.000 1.404 248 I CB -0.115 37.913 38.000 0.048 0.000 1.071 248 I HN 0.232 nan 8.210 nan 0.000 0.419 249 A N 0.055 122.809 122.820 -0.108 0.000 2.019 249 A HA -0.214 4.109 4.320 0.005 0.000 0.219 249 A C 1.927 179.383 177.584 -0.213 0.000 1.164 249 A CA 1.296 53.226 52.037 -0.179 0.000 0.644 249 A CB -0.821 18.030 19.000 -0.247 0.000 0.805 249 A HN 0.524 nan 8.150 nan 0.000 0.449 250 W N -0.511 120.606 121.300 -0.304 0.000 2.444 250 W HA 0.139 4.802 4.660 0.005 0.000 0.308 250 W C 2.596 179.060 176.519 -0.092 0.000 1.183 250 W CA 1.114 58.335 57.345 -0.206 0.000 1.340 250 W CB -0.800 28.460 29.460 -0.332 0.000 1.138 250 W HN 0.322 nan 8.180 nan 0.000 0.510 251 G N 0.347 109.208 108.800 0.101 0.000 2.469 251 G HA2 -0.286 3.677 3.960 0.005 0.000 0.220 251 G HA3 -0.286 3.677 3.960 0.005 0.000 0.220 251 G C 1.631 176.481 174.900 -0.084 0.000 1.136 251 G CA 1.546 46.636 45.100 -0.015 0.000 0.759 251 G HN 0.320 nan 8.290 nan 0.000 0.562 252 A N 0.392 123.182 122.820 -0.050 0.000 1.948 252 A HA -0.086 4.237 4.320 0.005 0.000 0.220 252 A C 2.367 179.886 177.584 -0.109 0.000 1.177 252 A CA 2.191 54.188 52.037 -0.066 0.000 0.636 252 A CB -0.322 18.647 19.000 -0.053 0.000 0.815 252 A HN 0.315 nan 8.150 nan 0.000 0.449 253 M N -0.516 119.020 119.600 -0.108 0.000 2.296 253 M HA -0.023 4.460 4.480 0.005 0.000 0.265 253 M C 2.179 178.343 176.300 -0.226 0.000 1.064 253 M CA 0.936 56.190 55.300 -0.077 0.000 1.109 253 M CB -1.835 30.760 32.600 -0.009 0.000 1.396 253 M HN 0.452 nan 8.290 nan 0.000 0.430 254 G N -0.538 107.827 108.800 -0.724 0.000 2.394 254 G HA2 0.009 3.972 3.960 0.005 0.000 0.215 254 G HA3 0.009 3.972 3.960 0.005 0.000 0.215 254 G C 1.604 176.211 174.900 -0.487 0.000 1.165 254 G CA 0.830 45.249 45.100 -1.135 0.000 0.784 254 G HN 0.527 nan 8.290 nan 0.000 0.535 255 A N 0.224 122.832 122.820 -0.353 0.000 2.015 255 A HA 0.203 4.526 4.320 0.005 0.000 0.219 255 A C 2.289 179.648 177.584 -0.374 0.000 1.163 255 A CA 1.052 52.823 52.037 -0.444 0.000 0.646 255 A CB -0.280 18.552 19.000 -0.281 0.000 0.806 255 A HN 0.378 nan 8.150 nan 0.000 0.448 256 L N -0.591 120.523 121.223 -0.182 0.000 2.072 256 L HA -0.151 4.192 4.340 0.005 0.000 0.205 256 L C 2.571 179.430 176.870 -0.018 0.000 1.079 256 L CA 1.990 56.802 54.840 -0.047 0.000 0.752 256 L CB -0.265 41.840 42.059 0.075 0.000 0.906 256 L HN 0.667 nan 8.230 nan 0.000 0.436 257 E N -0.016 120.166 120.200 -0.029 0.000 2.110 257 E HA -0.255 4.098 4.350 0.005 0.000 0.193 257 E C 2.015 178.612 176.600 -0.004 0.000 0.988 257 E CA 1.167 57.545 56.400 -0.037 0.000 0.804 257 E CB -0.060 29.653 29.700 0.021 0.000 0.745 257 E HN 0.576 nan 8.360 nan 0.000 0.458 258 A N 1.108 123.855 122.820 -0.122 0.000 1.858 258 A HA -0.162 4.161 4.320 0.005 0.000 0.216 258 A C 2.486 180.029 177.584 -0.068 0.000 1.190 258 A CA 2.055 54.013 52.037 -0.132 0.000 0.617 258 A CB -1.044 17.774 19.000 -0.303 0.000 0.827 258 A HN 0.360 nan 8.150 nan 0.000 0.443 259 V N -3.080 116.769 119.914 -0.109 0.000 2.548 259 V HA -0.189 3.934 4.120 0.005 0.000 0.249 259 V C 2.303 178.416 176.094 0.031 0.000 1.055 259 V CA 1.969 64.257 62.300 -0.019 0.000 1.065 259 V CB -1.316 30.483 31.823 -0.039 0.000 0.681 259 V HN 0.566 nan 8.190 nan 0.000 0.462 260 Y N 1.879 122.132 120.300 -0.079 0.000 2.133 260 Y HA -0.089 4.463 4.550 0.005 0.000 0.287 260 Y C 2.564 178.432 175.900 -0.053 0.000 1.134 260 Y CA 2.313 60.369 58.100 -0.074 0.000 1.133 260 Y CB -0.344 38.052 38.460 -0.107 0.000 0.987 260 Y HN 0.316 nan 8.280 nan 0.000 0.502 261 E N 0.742 120.919 120.200 -0.039 0.000 2.097 261 E HA -0.269 4.084 4.350 0.005 0.000 0.196 261 E C 2.185 178.718 176.600 -0.111 0.000 1.000 261 E CA 1.848 58.176 56.400 -0.120 0.000 0.804 261 E CB -0.364 29.352 29.700 0.026 0.000 0.740 261 E HN 0.745 nan 8.360 nan 0.000 0.454 262 E N -0.709 119.477 120.200 -0.024 0.000 2.150 262 E HA -0.143 4.210 4.350 0.005 0.000 0.193 262 E C 1.882 178.507 176.600 0.042 0.000 0.985 262 E CA 0.950 57.381 56.400 0.051 0.000 0.814 262 E CB -0.142 29.631 29.700 0.121 0.000 0.752 262 E HN 0.255 nan 8.360 nan 0.000 0.466 263 A N 1.247 124.036 122.820 -0.051 0.000 1.898 263 A HA -0.116 4.207 4.320 0.005 0.000 0.216 263 A C 2.471 180.019 177.584 -0.060 0.000 1.181 263 A CA 1.584 53.587 52.037 -0.056 0.000 0.620 263 A CB -0.966 17.974 19.000 -0.100 0.000 0.819 263 A HN 0.356 nan 8.150 nan 0.000 0.442 264 V N -1.948 117.829 119.914 -0.227 0.000 2.427 264 V HA -0.015 4.108 4.120 0.005 0.000 0.248 264 V C 2.446 178.485 176.094 -0.092 0.000 1.051 264 V CA 1.978 64.150 62.300 -0.213 0.000 1.048 264 V CB -1.148 30.444 31.823 -0.385 0.000 0.666 264 V HN 0.527 nan 8.190 nan 0.000 0.456 265 A N -0.030 122.757 122.820 -0.054 0.000 1.877 265 A HA -0.138 4.185 4.320 0.005 0.000 0.216 265 A C 2.128 179.745 177.584 0.055 0.000 1.186 265 A CA 2.052 54.090 52.037 0.002 0.000 0.620 265 A CB -1.005 18.015 19.000 0.032 0.000 0.822 265 A HN 0.727 nan 8.150 nan 0.000 0.443 266 F N 0.898 120.829 119.950 -0.031 0.000 2.102 266 F HA -0.063 4.467 4.527 0.005 0.000 0.298 266 F C 2.551 178.318 175.800 -0.055 0.000 1.105 266 F CA 1.296 59.283 58.000 -0.020 0.000 1.239 266 F CB -0.397 38.581 39.000 -0.037 0.000 0.991 266 F HN 0.247 nan 8.300 nan 0.000 0.474 267 A N 0.078 122.946 122.820 0.080 0.000 1.940 267 A HA -0.226 4.097 4.320 0.005 0.000 0.219 267 A C 2.198 179.720 177.584 -0.102 0.000 1.176 267 A CA 1.980 54.005 52.037 -0.020 0.000 0.631 267 A CB -0.662 18.338 19.000 -0.001 0.000 0.814 267 A HN 0.480 nan 8.150 nan 0.000 0.446 268 K N 0.126 120.470 120.400 -0.093 0.000 2.155 268 K HA -0.068 4.255 4.320 0.005 0.000 0.203 268 K C 2.147 178.675 176.600 -0.119 0.000 1.052 268 K CA 1.409 57.641 56.287 -0.092 0.000 0.948 268 K CB -0.085 32.373 32.500 -0.071 0.000 0.728 268 K HN 0.640 nan 8.250 nan 0.000 0.448 269 S N 0.097 115.698 115.700 -0.165 0.000 2.528 269 S HA 0.091 4.564 4.470 0.005 0.000 0.219 269 S C 0.778 175.225 174.600 -0.255 0.000 0.985 269 S CA -0.259 57.831 58.200 -0.183 0.000 0.914 269 S CB 0.170 63.274 63.200 -0.159 0.000 0.776 269 S HN 0.006 nan 8.310 nan 0.000 0.526 270 R N 0.845 121.136 120.500 -0.349 0.000 2.668 270 R HA 0.744 5.087 4.340 0.005 0.000 0.279 270 R C -0.929 175.247 176.300 -0.207 0.000 0.976 270 R CA -0.163 55.725 56.100 -0.354 0.000 0.978 270 R CB 1.821 31.754 30.300 -0.611 0.000 1.133 270 R HN 0.167 nan 8.270 nan 0.000 0.484 271 S N 0.211 115.816 115.700 -0.159 0.000 2.564 271 S HA 0.725 5.198 4.470 0.005 0.000 0.274 271 S C -1.634 172.906 174.600 -0.101 0.000 1.124 271 S CA -0.390 57.747 58.200 -0.105 0.000 0.869 271 S CB 1.779 64.924 63.200 -0.093 0.000 1.105 271 S HN 0.536 nan 8.310 nan 0.000 0.472 272 T N 2.515 117.030 114.554 -0.066 0.000 3.579 272 T HA 0.469 4.822 4.350 0.005 0.000 0.360 272 T C -1.315 173.396 174.700 0.018 0.000 1.285 272 T CA -0.386 61.639 62.100 -0.126 0.000 1.127 272 T CB 0.050 68.853 68.868 -0.108 0.000 1.244 272 T HN 0.758 nan 8.240 nan 0.000 0.476 273 F N 1.701 121.632 119.950 -0.031 0.000 3.058 273 F HA -0.199 4.331 4.527 0.005 0.000 0.295 273 F C 1.417 177.200 175.800 -0.028 0.000 0.875 273 F CA 1.059 59.043 58.000 -0.026 0.000 1.150 273 F CB -1.642 37.344 39.000 -0.024 0.000 1.175 273 F HN 1.120 nan 8.300 nan 0.000 0.599 274 G N 0.313 109.147 108.800 0.057 0.000 2.258 274 G HA2 -0.230 3.733 3.960 0.005 0.000 0.274 274 G HA3 -0.230 3.733 3.960 0.005 0.000 0.274 274 G C 0.089 174.999 174.900 0.017 0.000 1.021 274 G CA 0.875 45.988 45.100 0.022 0.000 0.798 274 G HN 0.816 nan 8.290 nan 0.000 0.507 275 E N -1.570 118.643 120.200 0.020 0.000 2.446 275 E HA 0.647 5.000 4.350 0.005 0.000 0.276 275 E C -3.263 173.329 176.600 -0.014 0.000 0.969 275 E CA -2.756 53.645 56.400 0.002 0.000 0.800 275 E CB 1.469 31.174 29.700 0.010 0.000 1.341 275 E HN 0.083 nan 8.360 nan 0.000 0.460 276 P HA 0.025 nan 4.420 nan 0.000 0.274 276 P C 0.479 177.754 177.300 -0.041 0.000 1.237 276 P CA -0.549 62.520 63.100 -0.051 0.000 0.793 276 P CB 0.520 32.186 31.700 -0.057 0.000 0.977 277 L N 2.373 123.559 121.223 -0.061 0.000 2.127 277 L HA -0.149 4.194 4.340 0.005 0.000 0.211 277 L C 2.048 178.899 176.870 -0.031 0.000 1.089 277 L CA 1.820 56.638 54.840 -0.038 0.000 0.757 277 L CB -1.951 40.074 42.059 -0.057 0.000 0.899 277 L HN 0.410 nan 8.230 nan 0.000 0.434 278 A N -1.605 121.187 122.820 -0.047 0.000 2.172 278 A HA -0.184 4.139 4.320 0.005 0.000 0.216 278 A C 2.310 179.872 177.584 -0.038 0.000 1.154 278 A CA 1.214 53.224 52.037 -0.045 0.000 0.701 278 A CB -0.442 18.524 19.000 -0.056 0.000 0.789 278 A HN 0.417 nan 8.150 nan 0.000 0.465 279 K N -0.396 119.986 120.400 -0.030 0.000 2.374 279 K HA 0.048 4.371 4.320 0.005 0.000 0.196 279 K C -0.260 176.328 176.600 -0.020 0.000 1.023 279 K CA -0.039 56.233 56.287 -0.024 0.000 1.103 279 K CB 0.148 32.636 32.500 -0.019 0.000 0.848 279 K HN 0.091 nan 8.250 nan 0.000 0.528 280 K N 1.452 121.841 120.400 -0.018 0.000 2.249 280 K HA 0.054 4.377 4.320 0.005 0.000 0.280 280 K C 0.777 177.361 176.600 -0.026 0.000 1.033 280 K CA 0.130 56.407 56.287 -0.016 0.000 0.946 280 K CB 1.243 33.739 32.500 -0.006 0.000 1.005 280 K HN 0.157 nan 8.250 nan 0.000 0.469 281 Q N 1.359 121.141 119.800 -0.030 0.000 2.135 281 Q HA -0.138 4.205 4.340 0.005 0.000 0.204 281 Q C 1.693 177.669 176.000 -0.040 0.000 0.981 281 Q CA 1.398 57.180 55.803 -0.036 0.000 0.856 281 Q CB -0.033 28.684 28.738 -0.035 0.000 0.902 281 Q HN 0.477 nan 8.270 nan 0.000 0.425 282 L N 0.063 121.264 121.223 -0.036 0.000 2.217 282 L HA -0.106 4.237 4.340 0.005 0.000 0.211 282 L C 2.403 179.248 176.870 -0.042 0.000 1.107 282 L CA 0.588 55.404 54.840 -0.039 0.000 0.783 282 L CB -0.339 41.701 42.059 -0.032 0.000 0.919 282 L HN 0.179 nan 8.230 nan 0.000 0.442 283 V N -2.891 117.002 119.914 -0.035 0.000 2.725 283 V HA -0.100 4.023 4.120 0.005 0.000 0.247 283 V C 2.077 178.140 176.094 -0.052 0.000 1.058 283 V CA 0.768 63.045 62.300 -0.038 0.000 1.080 283 V CB -0.208 31.603 31.823 -0.020 0.000 0.713 283 V HN 0.427 nan 8.190 nan 0.000 0.465 284 Q N 1.000 120.770 119.800 -0.051 0.000 2.170 284 Q HA -0.089 4.254 4.340 0.005 0.000 0.203 284 Q C 2.474 178.428 176.000 -0.078 0.000 0.976 284 Q CA 1.834 57.601 55.803 -0.060 0.000 0.858 284 Q CB -0.435 28.272 28.738 -0.052 0.000 0.907 284 Q HN 0.793 nan 8.270 nan 0.000 0.433 285 A N 1.650 124.421 122.820 -0.081 0.000 1.933 285 A HA -0.214 4.109 4.320 0.005 0.000 0.218 285 A C 1.945 179.441 177.584 -0.147 0.000 1.175 285 A CA 1.465 53.437 52.037 -0.107 0.000 0.628 285 A CB -0.235 18.710 19.000 -0.092 0.000 0.814 285 A HN 0.199 nan 8.150 nan 0.000 0.444 286 K N -0.381 119.944 120.400 -0.124 0.000 2.025 286 K HA 0.024 4.347 4.320 0.005 0.000 0.207 286 K C 1.835 178.351 176.600 -0.140 0.000 1.049 286 K CA 1.302 57.503 56.287 -0.144 0.000 0.933 286 K CB -0.362 32.082 32.500 -0.094 0.000 0.714 286 K HN 0.460 nan 8.250 nan 0.000 0.438 287 L N 0.603 121.776 121.223 -0.084 0.000 2.083 287 L HA -0.160 4.183 4.340 0.005 0.000 0.209 287 L C 2.612 179.464 176.870 -0.031 0.000 1.083 287 L CA 1.062 55.897 54.840 -0.007 0.000 0.752 287 L CB -0.651 41.385 42.059 -0.038 0.000 0.899 287 L HN 0.203 nan 8.230 nan 0.000 0.433 288 A N 0.001 122.746 122.820 -0.126 0.000 1.933 288 A HA -0.254 4.069 4.320 0.005 0.000 0.218 288 A C 2.204 179.597 177.584 -0.319 0.000 1.175 288 A CA 1.944 53.865 52.037 -0.194 0.000 0.628 288 A CB -0.422 18.476 19.000 -0.169 0.000 0.814 288 A HN 0.386 nan 8.150 nan 0.000 0.444 289 E N -0.224 119.722 120.200 -0.424 0.000 2.072 289 E HA -0.133 4.220 4.350 0.005 0.000 0.191 289 E C 2.025 178.095 176.600 -0.884 0.000 0.985 289 E CA 1.572 57.490 56.400 -0.805 0.000 0.801 289 E CB -0.342 28.782 29.700 -0.959 0.000 0.750 289 E HN 0.625 nan 8.360 nan 0.000 0.452 290 M N -0.394 118.919 119.600 -0.480 0.000 2.108 290 M HA -0.169 4.314 4.480 0.005 0.000 0.261 290 M C 2.194 178.334 176.300 -0.268 0.000 1.066 290 M CA 1.203 56.387 55.300 -0.193 0.000 1.107 290 M CB -0.319 32.326 32.600 0.074 0.000 1.356 290 M HN 0.221 nan 8.290 nan 0.000 0.406 291 L N 0.477 121.465 121.223 -0.391 0.000 2.056 291 L HA -0.048 4.295 4.340 0.005 0.000 0.207 291 L C 2.568 179.256 176.870 -0.304 0.000 1.078 291 L CA 1.953 56.489 54.840 -0.507 0.000 0.749 291 L CB -0.799 40.942 42.059 -0.531 0.000 0.901 291 L HN 0.193 nan 8.230 nan 0.000 0.433 292 A N -0.945 121.695 122.820 -0.301 0.000 1.883 292 A HA -0.228 4.095 4.320 0.005 0.000 0.217 292 A C 2.059 179.617 177.584 -0.042 0.000 1.186 292 A CA 1.872 53.786 52.037 -0.206 0.000 0.624 292 A CB -1.226 17.614 19.000 -0.266 0.000 0.822 292 A HN 0.642 nan 8.150 nan 0.000 0.444 293 W N -0.378 120.847 121.300 -0.126 0.000 2.338 293 W HA -0.141 4.522 4.660 0.005 0.000 0.304 293 W C 2.379 178.828 176.519 -0.116 0.000 1.212 293 W CA 1.165 58.442 57.345 -0.114 0.000 1.264 293 W CB -1.399 27.992 29.460 -0.114 0.000 1.142 293 W HN 0.660 nan 8.180 nan 0.000 0.512 294 H N -0.148 118.939 119.070 0.029 0.000 2.352 294 H HA -0.126 4.433 4.556 0.005 0.000 0.299 294 H C 1.675 176.953 175.328 -0.084 0.000 1.097 294 H CA 2.436 58.449 56.048 -0.059 0.000 1.311 294 H CB -0.171 29.494 29.762 -0.161 0.000 1.377 294 H HN -0.030 nan 8.280 nan 0.000 0.504 295 T N 0.761 115.301 114.554 -0.023 0.000 2.777 295 T HA -0.112 4.241 4.350 0.005 0.000 0.266 295 T C 1.864 176.439 174.700 -0.209 0.000 1.040 295 T CA 1.456 63.466 62.100 -0.149 0.000 1.141 295 T CB -0.105 68.590 68.868 -0.289 0.000 0.868 295 T HN 0.493 nan 8.240 nan 0.000 0.444 296 E N 0.490 120.608 120.200 -0.138 0.000 2.077 296 E HA -0.057 4.296 4.350 0.005 0.000 0.193 296 E C 2.563 179.090 176.600 -0.123 0.000 0.989 296 E CA 0.904 57.248 56.400 -0.094 0.000 0.800 296 E CB -0.360 29.340 29.700 -0.002 0.000 0.746 296 E HN 0.529 nan 8.360 nan 0.000 0.452 297 G N 1.244 109.948 108.800 -0.160 0.000 2.421 297 G HA2 -0.230 3.733 3.960 0.005 0.000 0.216 297 G HA3 -0.230 3.733 3.960 0.005 0.000 0.216 297 G C 1.575 176.275 174.900 -0.333 0.000 1.171 297 G CA 0.338 45.299 45.100 -0.232 0.000 0.775 297 G HN 0.085 nan 8.290 nan 0.000 0.543 298 L N -0.167 120.831 121.223 -0.374 0.000 2.046 298 L HA -0.029 4.314 4.340 0.005 0.000 0.208 298 L C 2.951 179.665 176.870 -0.260 0.000 1.077 298 L CA 0.664 55.262 54.840 -0.402 0.000 0.747 298 L CB -0.339 41.534 42.059 -0.309 0.000 0.896 298 L HN 0.220 nan 8.230 nan 0.000 0.432 299 L N -0.672 120.472 121.223 -0.131 0.000 2.046 299 L HA -0.259 4.084 4.340 0.005 0.000 0.208 299 L C 2.532 179.455 176.870 0.088 0.000 1.077 299 L CA 1.186 56.052 54.840 0.043 0.000 0.747 299 L CB -0.332 41.743 42.059 0.027 0.000 0.896 299 L HN 0.272 nan 8.230 nan 0.000 0.432 300 L N -0.678 120.507 121.223 -0.063 0.000 2.012 300 L HA -0.237 4.106 4.340 0.005 0.000 0.210 300 L C 2.877 179.647 176.870 -0.166 0.000 1.073 300 L CA 1.356 56.146 54.840 -0.084 0.000 0.748 300 L CB -0.795 41.187 42.059 -0.128 0.000 0.891 300 L HN 0.268 nan 8.230 nan 0.000 0.431 301 A N -0.474 122.096 122.820 -0.416 0.000 1.883 301 A HA -0.286 4.037 4.320 0.005 0.000 0.217 301 A C 2.000 179.330 177.584 -0.422 0.000 1.186 301 A CA 1.808 53.342 52.037 -0.839 0.000 0.624 301 A CB -1.121 16.751 19.000 -1.881 0.000 0.822 301 A HN 0.657 nan 8.150 nan 0.000 0.444 302 W N 0.850 121.910 121.300 -0.399 0.000 2.355 302 W HA -0.218 4.444 4.660 0.005 0.000 0.309 302 W C 2.210 178.810 176.519 0.134 0.000 1.206 302 W CA 2.247 59.625 57.345 0.055 0.000 1.284 302 W CB -0.251 29.214 29.460 0.008 0.000 1.145 302 W HN 0.261 nan 8.180 nan 0.000 0.502 303 R N 0.647 121.014 120.500 -0.221 0.000 2.091 303 R HA -0.175 4.168 4.340 0.005 0.000 0.238 303 R C 2.027 178.138 176.300 -0.315 0.000 1.136 303 R CA 2.055 57.839 56.100 -0.526 0.000 0.959 303 R CB -1.342 28.920 30.300 -0.063 0.000 0.856 303 R HN 0.349 nan 8.270 nan 0.000 0.437 304 L N 0.075 121.252 121.223 -0.075 0.000 2.141 304 L HA 0.095 4.438 4.340 0.005 0.000 0.209 304 L C 2.187 179.162 176.870 0.175 0.000 1.094 304 L CA 1.894 56.781 54.840 0.078 0.000 0.763 304 L CB -0.861 41.319 42.059 0.202 0.000 0.908 304 L HN 0.321 nan 8.230 nan 0.000 0.437 305 A N -0.931 122.081 122.820 0.320 0.000 1.898 305 A HA -0.161 4.162 4.320 0.005 0.000 0.216 305 A C 2.337 179.901 177.584 -0.033 0.000 1.181 305 A CA 1.188 53.428 52.037 0.338 0.000 0.620 305 A CB -0.329 19.008 19.000 0.562 0.000 0.819 305 A HN 0.269 nan 8.150 nan 0.000 0.442 306 R N -0.253 120.115 120.500 -0.220 0.000 2.066 306 R HA 0.037 4.380 4.340 0.005 0.000 0.232 306 R C 2.107 178.305 176.300 -0.170 0.000 1.131 306 R CA 1.107 57.062 56.100 -0.241 0.000 0.955 306 R CB -1.284 28.759 30.300 -0.429 0.000 0.851 306 R HN 0.571 nan 8.270 nan 0.000 0.432 307 L N 1.007 122.126 121.223 -0.172 0.000 2.079 307 L HA -0.195 4.148 4.340 0.005 0.000 0.210 307 L C 2.705 179.510 176.870 -0.108 0.000 1.081 307 L CA 1.486 56.257 54.840 -0.115 0.000 0.752 307 L CB -0.420 41.584 42.059 -0.092 0.000 0.896 307 L HN 0.210 nan 8.230 nan 0.000 0.433 308 K N -0.012 120.303 120.400 -0.141 0.000 2.026 308 K HA -0.209 4.114 4.320 0.005 0.000 0.208 308 K C 1.631 178.137 176.600 -0.157 0.000 1.048 308 K CA 1.807 57.975 56.287 -0.198 0.000 0.929 308 K CB 0.002 32.262 32.500 -0.401 0.000 0.713 308 K HN 0.263 nan 8.250 nan 0.000 0.439 309 D N 0.647 120.966 120.400 -0.135 0.000 2.269 309 D HA -0.129 4.514 4.640 0.005 0.000 0.208 309 D C 1.198 177.461 176.300 -0.062 0.000 0.963 309 D CA 1.001 54.946 54.000 -0.092 0.000 0.864 309 D CB 0.099 40.857 40.800 -0.070 0.000 0.936 309 D HN 0.578 nan 8.370 nan 0.000 0.505 310 E N -0.179 119.983 120.200 -0.063 0.000 2.465 310 E HA 0.208 4.561 4.350 0.005 0.000 0.191 310 E C 1.022 177.600 176.600 -0.037 0.000 1.053 310 E CA 0.382 56.756 56.400 -0.042 0.000 0.869 310 E CB -0.029 29.647 29.700 -0.040 0.000 0.977 310 E HN 0.049 nan 8.360 nan 0.000 0.483 311 G N 2.175 110.947 108.800 -0.046 0.000 2.198 311 G HA2 -0.318 3.645 3.960 0.005 0.000 0.260 311 G HA3 -0.318 3.645 3.960 0.005 0.000 0.260 311 G C 0.553 175.434 174.900 -0.032 0.000 1.025 311 G CA 0.695 45.774 45.100 -0.035 0.000 0.769 311 G HN 0.364 nan 8.290 nan 0.000 0.507 312 K N -1.064 119.311 120.400 -0.041 0.000 2.414 312 K HA 0.317 4.640 4.320 0.005 0.000 0.204 312 K C 0.560 177.139 176.600 -0.035 0.000 1.026 312 K CA -0.593 55.675 56.287 -0.032 0.000 1.108 312 K CB 0.839 33.321 32.500 -0.031 0.000 0.855 312 K HN 0.304 nan 8.250 nan 0.000 0.517 313 L N 2.533 123.727 121.223 -0.048 0.000 2.367 313 L HA 0.123 4.466 4.340 0.005 0.000 0.275 313 L C 0.149 177.003 176.870 -0.027 0.000 1.129 313 L CA 0.458 55.272 54.840 -0.044 0.000 0.839 313 L CB 0.836 42.851 42.059 -0.074 0.000 1.133 313 L HN 0.134 nan 8.230 nan 0.000 0.453 314 T N 1.975 116.521 114.554 -0.013 0.000 2.945 314 T HA 0.579 4.932 4.350 0.005 0.000 0.286 314 T C -2.049 172.653 174.700 0.003 0.000 1.025 314 T CA -1.808 60.290 62.100 -0.004 0.000 1.039 314 T CB 1.599 70.468 68.868 0.001 0.000 1.068 314 T HN 0.460 nan 8.240 nan 0.000 0.497 315 P HA 0.034 nan 4.420 nan 0.000 0.217 315 P C 1.649 178.968 177.300 0.030 0.000 1.150 315 P CA 1.337 64.449 63.100 0.019 0.000 0.832 315 P CB -0.233 31.478 31.700 0.018 0.000 0.787 316 A N -0.206 122.631 122.820 0.028 0.000 1.933 316 A HA -0.273 4.050 4.320 0.005 0.000 0.218 316 A C 2.225 179.817 177.584 0.014 0.000 1.175 316 A CA 1.634 53.690 52.037 0.032 0.000 0.628 316 A CB -1.291 17.725 19.000 0.026 0.000 0.814 316 A HN 0.209 nan 8.150 nan 0.000 0.444 317 Q N -0.570 119.234 119.800 0.008 0.000 2.084 317 Q HA -0.116 4.227 4.340 0.005 0.000 0.202 317 Q C 2.146 178.143 176.000 -0.005 0.000 0.978 317 Q CA 1.642 57.445 55.803 -0.000 0.000 0.844 317 Q CB -0.380 28.359 28.738 0.002 0.000 0.898 317 Q HN 0.497 nan 8.270 nan 0.000 0.426 318 V N 0.387 120.307 119.914 0.010 0.000 2.343 318 V HA -0.249 3.874 4.120 0.005 0.000 0.247 318 V C 2.228 178.285 176.094 -0.061 0.000 1.051 318 V CA 1.802 64.109 62.300 0.012 0.000 1.036 318 V CB -0.498 31.352 31.823 0.046 0.000 0.654 318 V HN 0.288 nan 8.190 nan 0.000 0.451 319 S N -0.078 115.595 115.700 -0.045 0.000 2.370 319 S HA -0.203 4.270 4.470 0.005 0.000 0.226 319 S C 1.883 176.355 174.600 -0.212 0.000 1.033 319 S CA 1.894 60.022 58.200 -0.121 0.000 1.011 319 S CB -0.413 62.863 63.200 0.127 0.000 0.852 319 S HN 0.467 nan 8.310 nan 0.000 0.457 320 L N 1.864 123.025 121.223 -0.105 0.000 1.989 320 L HA -0.050 4.293 4.340 0.005 0.000 0.211 320 L C 2.322 179.116 176.870 -0.128 0.000 1.071 320 L CA 2.174 56.954 54.840 -0.100 0.000 0.749 320 L CB -1.113 40.913 42.059 -0.054 0.000 0.890 320 L HN 0.236 nan 8.230 nan 0.000 0.431 321 A N -0.721 122.027 122.820 -0.120 0.000 1.902 321 A HA -0.206 4.117 4.320 0.005 0.000 0.217 321 A C 2.430 179.915 177.584 -0.165 0.000 1.181 321 A CA 1.812 53.768 52.037 -0.135 0.000 0.623 321 A CB -0.649 18.277 19.000 -0.123 0.000 0.818 321 A HN 0.441 nan 8.150 nan 0.000 0.443 322 K N -0.010 120.262 120.400 -0.213 0.000 2.025 322 K HA -0.151 4.172 4.320 0.005 0.000 0.207 322 K C 2.294 178.770 176.600 -0.208 0.000 1.049 322 K CA 1.443 57.593 56.287 -0.228 0.000 0.933 322 K CB -0.409 31.885 32.500 -0.343 0.000 0.714 322 K HN 0.469 nan 8.250 nan 0.000 0.438 323 R N 0.512 120.818 120.500 -0.323 0.000 2.082 323 R HA -0.161 4.182 4.340 0.005 0.000 0.234 323 R C 2.145 178.426 176.300 -0.031 0.000 1.136 323 R CA 1.635 57.602 56.100 -0.222 0.000 0.935 323 R CB -0.147 29.961 30.300 -0.320 0.000 0.842 323 R HN 0.254 nan 8.270 nan 0.000 0.430 324 Q N 0.541 120.308 119.800 -0.055 0.000 2.020 324 Q HA -0.121 4.222 4.340 0.005 0.000 0.202 324 Q C 1.918 177.905 176.000 -0.022 0.000 0.982 324 Q CA 1.867 57.671 55.803 0.002 0.000 0.838 324 Q CB -0.678 28.032 28.738 -0.046 0.000 0.899 324 Q HN 0.569 nan 8.270 nan 0.000 0.423 325 N N -0.180 118.477 118.700 -0.072 0.000 2.120 325 N HA -0.116 4.627 4.740 0.005 0.000 0.188 325 N C 1.918 177.399 175.510 -0.048 0.000 1.024 325 N CA 1.189 54.179 53.050 -0.099 0.000 0.852 325 N CB 0.080 38.484 38.487 -0.137 0.000 1.003 325 N HN -0.014 nan 8.380 nan 0.000 0.424 326 V N 0.841 120.777 119.914 0.036 0.000 2.358 326 V HA -0.216 3.907 4.120 0.005 0.000 0.246 326 V C 1.880 178.085 176.094 0.185 0.000 1.047 326 V CA 1.339 63.707 62.300 0.113 0.000 1.035 326 V CB -0.711 31.224 31.823 0.188 0.000 0.658 326 V HN 0.544 nan 8.190 nan 0.000 0.452 327 W N 1.309 122.608 121.300 -0.001 0.000 2.335 327 W HA -0.253 4.410 4.660 0.005 0.000 0.311 327 W C 2.476 178.789 176.519 -0.344 0.000 1.213 327 W CA 1.748 59.034 57.345 -0.099 0.000 1.274 327 W CB 0.012 29.490 29.460 0.030 0.000 1.148 327 W HN 0.201 nan 8.180 nan 0.000 0.498 328 K N 0.069 120.208 120.400 -0.436 0.000 2.057 328 K HA -0.168 4.155 4.320 0.005 0.000 0.207 328 K C 2.267 178.567 176.600 -0.500 0.000 1.049 328 K CA 1.635 57.379 56.287 -0.905 0.000 0.931 328 K CB -0.597 31.427 32.500 -0.794 0.000 0.714 328 K HN 0.138 nan 8.250 nan 0.000 0.440 329 A N 1.232 123.908 122.820 -0.241 0.000 1.930 329 A HA -0.135 4.188 4.320 0.005 0.000 0.217 329 A C 2.080 179.572 177.584 -0.153 0.000 1.175 329 A CA 1.068 53.027 52.037 -0.130 0.000 0.627 329 A CB -0.430 18.522 19.000 -0.080 0.000 0.815 329 A HN 0.229 nan 8.150 nan 0.000 0.443 330 L N -0.123 120.979 121.223 -0.201 0.000 2.027 330 L HA -0.166 4.177 4.340 0.005 0.000 0.206 330 L C 2.442 179.113 176.870 -0.332 0.000 1.074 330 L CA 2.274 56.979 54.840 -0.225 0.000 0.745 330 L CB -0.780 41.130 42.059 -0.248 0.000 0.898 330 L HN 0.499 nan 8.230 nan 0.000 0.433 331 Q N -0.609 118.843 119.800 -0.579 0.000 2.084 331 Q HA -0.163 4.180 4.340 0.005 0.000 0.202 331 Q C 2.228 178.144 176.000 -0.139 0.000 0.978 331 Q CA 1.656 57.141 55.803 -0.529 0.000 0.844 331 Q CB -0.403 27.802 28.738 -0.889 0.000 0.898 331 Q HN 0.685 nan 8.270 nan 0.000 0.426 332 A N 0.903 123.708 122.820 -0.025 0.000 1.969 332 A HA -0.042 4.280 4.320 0.005 0.000 0.218 332 A C 2.253 179.840 177.584 0.005 0.000 1.169 332 A CA 1.366 53.468 52.037 0.108 0.000 0.635 332 A CB -0.597 18.507 19.000 0.173 0.000 0.810 332 A HN 0.385 nan 8.150 nan 0.000 0.445 333 A N 0.089 122.882 122.820 -0.046 0.000 1.898 333 A HA -0.124 4.199 4.320 0.005 0.000 0.216 333 A C 2.232 179.782 177.584 -0.055 0.000 1.181 333 A CA 1.408 53.419 52.037 -0.042 0.000 0.620 333 A CB -0.397 18.582 19.000 -0.035 0.000 0.819 333 A HN 0.554 nan 8.150 nan 0.000 0.442 334 R N -1.153 119.301 120.500 -0.078 0.000 2.075 334 R HA 0.003 4.346 4.340 0.005 0.000 0.232 334 R C 2.271 178.530 176.300 -0.069 0.000 1.126 334 R CA 1.597 57.649 56.100 -0.079 0.000 0.963 334 R CB -0.385 29.855 30.300 -0.102 0.000 0.858 334 R HN 0.496 nan 8.270 nan 0.000 0.435 335 M N 0.162 119.729 119.600 -0.054 0.000 2.117 335 M HA -0.157 4.326 4.480 0.005 0.000 0.262 335 M C 2.428 178.690 176.300 -0.063 0.000 1.065 335 M CA 1.755 57.027 55.300 -0.048 0.000 1.114 335 M CB -0.205 32.381 32.600 -0.024 0.000 1.361 335 M HN 0.297 nan 8.290 nan 0.000 0.408 336 A N -0.198 122.585 122.820 -0.061 0.000 1.898 336 A HA -0.157 4.166 4.320 0.005 0.000 0.216 336 A C 2.161 179.657 177.584 -0.147 0.000 1.181 336 A CA 1.314 53.298 52.037 -0.088 0.000 0.620 336 A CB -0.584 18.380 19.000 -0.059 0.000 0.819 336 A HN 0.317 nan 8.150 nan 0.000 0.442 337 R N 0.386 120.810 120.500 -0.127 0.000 2.081 337 R HA -0.168 4.175 4.340 0.005 0.000 0.235 337 R C 1.746 177.946 176.300 -0.166 0.000 1.131 337 R CA 2.035 58.040 56.100 -0.159 0.000 0.960 337 R CB -0.839 29.394 30.300 -0.111 0.000 0.856 337 R HN 0.586 nan 8.270 nan 0.000 0.436 338 D N 0.189 120.518 120.400 -0.118 0.000 2.123 338 D HA -0.129 4.514 4.640 0.005 0.000 0.196 338 D C 2.037 178.274 176.300 -0.105 0.000 0.992 338 D CA 1.270 55.213 54.000 -0.095 0.000 0.833 338 D CB -0.155 40.604 40.800 -0.067 0.000 0.954 338 D HN 0.318 nan 8.370 nan 0.000 0.455 339 I N -0.044 120.455 120.570 -0.118 0.000 2.394 339 I HA -0.188 3.985 4.170 0.005 0.000 0.251 339 I C 2.201 178.206 176.117 -0.187 0.000 1.136 339 I CA 0.514 61.758 61.300 -0.093 0.000 1.425 339 I CB -0.100 37.859 38.000 -0.070 0.000 1.079 339 I HN 0.090 nan 8.210 nan 0.000 0.425 340 L N 0.306 121.258 121.223 -0.453 0.000 2.376 340 L HA 0.063 4.406 4.340 0.005 0.000 0.219 340 L C 1.596 178.144 176.870 -0.538 0.000 1.133 340 L CA 0.520 54.775 54.840 -0.976 0.000 0.816 340 L CB -1.060 40.374 42.059 -1.043 0.000 0.933 340 L HN 0.494 nan 8.230 nan 0.000 0.449 341 G N 0.288 108.935 108.800 -0.254 0.000 2.566 341 G HA2 -0.357 3.606 3.960 0.005 0.000 0.280 341 G HA3 -0.357 3.606 3.960 0.005 0.000 0.280 341 G C 0.880 175.688 174.900 -0.152 0.000 1.225 341 G CA -0.030 44.992 45.100 -0.130 0.000 0.966 341 G HN 0.318 nan 8.290 nan 0.000 0.560 342 G N -0.773 107.973 108.800 -0.090 0.000 2.442 342 G HA2 -0.008 3.955 3.960 0.005 0.000 0.219 342 G HA3 -0.008 3.955 3.960 0.005 0.000 0.219 342 G C 2.118 176.947 174.900 -0.119 0.000 1.141 342 G CA 2.148 47.201 45.100 -0.078 0.000 0.763 342 G HN 1.385 nan 8.290 nan 0.000 0.554 343 S N 0.546 116.137 115.700 -0.182 0.000 2.440 343 S HA -0.042 4.431 4.470 0.005 0.000 0.238 343 S C 2.294 176.659 174.600 -0.391 0.000 1.010 343 S CA 0.955 58.990 58.200 -0.274 0.000 0.972 343 S CB -0.226 62.709 63.200 -0.441 0.000 0.774 343 S HN 0.541 nan 8.310 nan 0.000 0.501 344 G N 1.578 110.137 108.800 -0.401 0.000 2.813 344 G HA2 0.069 4.032 3.960 0.005 0.000 0.209 344 G HA3 0.069 4.032 3.960 0.005 0.000 0.209 344 G C 1.109 175.915 174.900 -0.155 0.000 1.150 344 G CA 0.146 45.054 45.100 -0.320 0.000 0.785 344 G HN 0.685 nan 8.290 nan 0.000 0.535 345 I N -2.153 118.351 120.570 -0.110 0.000 3.684 345 I HA 0.325 4.498 4.170 0.005 0.000 0.304 345 I C 0.071 176.169 176.117 -0.031 0.000 1.278 345 I CA 0.066 61.330 61.300 -0.060 0.000 1.272 345 I CB 0.292 38.268 38.000 -0.041 0.000 1.029 345 I HN -0.251 nan 8.210 nan 0.000 0.458 346 T N 1.434 115.973 114.554 -0.025 0.000 2.885 346 T HA 0.476 4.829 4.350 0.005 0.000 0.285 346 T C 0.727 175.416 174.700 -0.019 0.000 1.019 346 T CA -0.542 61.558 62.100 0.000 0.000 1.010 346 T CB 2.230 71.113 68.868 0.025 0.000 1.022 346 T HN 0.141 nan 8.240 nan 0.000 0.466 347 L N 1.943 123.143 121.223 -0.038 0.000 2.749 347 L HA 0.053 4.396 4.340 0.005 0.000 0.245 347 L C 2.284 179.066 176.870 -0.146 0.000 1.156 347 L CA 0.708 55.487 54.840 -0.101 0.000 0.890 347 L CB -0.332 41.699 42.059 -0.047 0.000 1.036 347 L HN 0.775 nan 8.230 nan 0.000 0.441 348 E N -0.121 120.019 120.200 -0.100 0.000 2.358 348 E HA -0.174 4.179 4.350 0.005 0.000 0.195 348 E C 1.000 177.331 176.600 -0.447 0.000 1.010 348 E CA 0.893 57.171 56.400 -0.203 0.000 0.856 348 E CB 0.262 29.923 29.700 -0.066 0.000 0.795 348 E HN 0.547 nan 8.360 nan 0.000 0.504 349 Y N -1.156 118.957 120.300 -0.311 0.000 2.500 349 Y HA 0.151 4.705 4.550 0.006 0.000 0.246 349 Y C 0.561 176.293 175.900 -0.280 0.000 1.146 349 Y CA 0.151 58.054 58.100 -0.329 0.000 1.230 349 Y CB 0.546 38.866 38.460 -0.234 0.000 1.214 349 Y HN 0.120 nan 8.280 nan 0.000 0.526 350 H N -2.136 116.897 119.070 -0.063 0.000 5.017 350 H HA -0.341 4.217 4.556 0.004 0.000 0.071 350 H C 2.089 177.402 175.328 -0.024 0.000 0.562 350 H CA 1.338 57.332 56.048 -0.090 0.000 1.051 350 H CB -1.754 28.024 29.762 0.026 0.000 0.480 350 H HN 0.360 nan 8.280 nan 0.000 0.749 351 A N 1.279 124.191 122.820 0.153 0.000 1.896 351 A HA -0.221 4.102 4.320 0.005 0.000 0.220 351 A C 2.616 180.199 177.584 -0.003 0.000 1.206 351 A CA 2.618 54.697 52.037 0.070 0.000 0.647 351 A CB -0.981 18.005 19.000 -0.022 0.000 0.828 351 A HN 0.535 nan 8.150 nan 0.000 0.455 352 I N -1.493 119.031 120.570 -0.077 0.000 2.617 352 I HA -0.140 4.033 4.170 0.005 0.000 0.256 352 I C 2.560 178.535 176.117 -0.236 0.000 1.167 352 I CA 1.183 62.408 61.300 -0.125 0.000 1.469 352 I CB -0.155 37.771 38.000 -0.122 0.000 1.098 352 I HN 0.433 nan 8.210 nan 0.000 0.436 353 R N -0.309 119.957 120.500 -0.390 0.000 2.073 353 R HA -0.183 4.160 4.340 0.005 0.000 0.229 353 R C 2.337 178.375 176.300 -0.435 0.000 1.120 353 R CA 1.353 56.990 56.100 -0.771 0.000 0.967 353 R CB -0.296 29.428 30.300 -0.960 0.000 0.862 353 R HN 0.431 nan 8.270 nan 0.000 0.436 354 H N 0.252 119.207 119.070 -0.191 0.000 2.357 354 H HA -0.133 4.426 4.556 0.005 0.000 0.301 354 H C 2.066 177.354 175.328 -0.067 0.000 1.082 354 H CA 1.759 57.750 56.048 -0.094 0.000 1.342 354 H CB -0.231 29.488 29.762 -0.071 0.000 1.389 354 H HN 0.290 nan 8.280 nan 0.000 0.511 355 M N 0.479 120.102 119.600 0.039 0.000 2.073 355 M HA -0.203 4.280 4.480 0.005 0.000 0.258 355 M C 2.174 178.482 176.300 0.013 0.000 1.070 355 M CA 1.621 56.921 55.300 0.000 0.000 1.103 355 M CB -0.190 32.392 32.600 -0.030 0.000 1.321 355 M HN 0.165 nan 8.290 nan 0.000 0.405 356 L N -0.216 121.019 121.223 0.020 0.000 2.017 356 L HA -0.265 4.078 4.340 0.005 0.000 0.208 356 L C 2.026 178.975 176.870 0.132 0.000 1.073 356 L CA 1.807 56.707 54.840 0.100 0.000 0.745 356 L CB -0.946 41.236 42.059 0.206 0.000 0.894 356 L HN 0.461 nan 8.230 nan 0.000 0.432 357 N N -0.001 118.788 118.700 0.149 0.000 2.061 357 N HA -0.218 4.525 4.740 0.005 0.000 0.193 357 N C 1.869 177.423 175.510 0.073 0.000 1.030 357 N CA 1.007 54.153 53.050 0.160 0.000 0.856 357 N CB -0.173 38.417 38.487 0.171 0.000 1.023 357 N HN 0.244 nan 8.380 nan 0.000 0.424 358 L N 0.719 121.982 121.223 0.067 0.000 2.353 358 L HA -0.143 4.200 4.340 0.005 0.000 0.220 358 L C 2.214 179.114 176.870 0.051 0.000 1.133 358 L CA 0.685 55.551 54.840 0.044 0.000 0.798 358 L CB -0.182 41.894 42.059 0.029 0.000 0.922 358 L HN 0.213 nan 8.230 nan 0.000 0.445 359 E N -0.253 119.974 120.200 0.045 0.000 2.106 359 E HA -0.160 4.193 4.350 0.005 0.000 0.192 359 E C 2.059 178.689 176.600 0.050 0.000 0.984 359 E CA 1.541 57.989 56.400 0.079 0.000 0.806 359 E CB 0.039 29.773 29.700 0.056 0.000 0.750 359 E HN 0.232 nan 8.360 nan 0.000 0.458 360 T N -0.486 114.025 114.554 -0.071 0.000 2.732 360 T HA -0.092 4.261 4.350 0.005 0.000 0.261 360 T C 1.836 176.213 174.700 -0.538 0.000 1.040 360 T CA 1.375 63.313 62.100 -0.270 0.000 1.145 360 T CB -0.265 68.435 68.868 -0.280 0.000 0.866 360 T HN 0.006 nan 8.240 nan 0.000 0.427 361 V N 0.793 120.413 119.914 -0.490 0.000 2.469 361 V HA -0.188 3.935 4.120 0.005 0.000 0.251 361 V C 2.061 178.121 176.094 -0.057 0.000 1.064 361 V CA 1.616 63.654 62.300 -0.437 0.000 1.066 361 V CB -0.822 30.961 31.823 -0.065 0.000 0.667 361 V HN 0.533 nan 8.190 nan 0.000 0.461 362 Y N 1.187 121.431 120.300 -0.093 0.000 2.421 362 Y HA -0.162 4.391 4.550 0.005 0.000 0.292 362 Y C 2.351 178.262 175.900 0.018 0.000 1.136 362 Y CA 1.868 59.981 58.100 0.022 0.000 1.255 362 Y CB -0.229 38.265 38.460 0.058 0.000 0.991 362 Y HN 0.246 nan 8.280 nan 0.000 0.552 363 T N -0.012 114.482 114.554 -0.099 0.000 2.988 363 T HA 0.022 4.375 4.350 0.005 0.000 0.240 363 T C -0.090 174.613 174.700 0.006 0.000 1.014 363 T CA 0.588 62.605 62.100 -0.138 0.000 1.155 363 T CB -0.466 68.320 68.868 -0.136 0.000 0.872 363 T HN 0.250 nan 8.240 nan 0.000 0.440 364 Y N 1.630 121.915 120.300 -0.025 0.000 2.281 364 Y HA 0.431 4.984 4.550 0.005 0.000 0.337 364 Y C 0.523 176.444 175.900 0.034 0.000 1.304 364 Y CA -1.939 56.162 58.100 0.001 0.000 1.465 364 Y CB -0.182 38.291 38.460 0.021 0.000 1.350 364 Y HN 0.231 nan 8.280 nan 0.000 0.575 365 E N -0.057 120.269 120.200 0.209 0.000 2.476 365 E HA -0.144 4.209 4.350 0.005 0.000 0.251 365 E C 0.329 177.046 176.600 0.196 0.000 1.130 365 E CA 1.284 57.748 56.400 0.106 0.000 0.736 365 E CB -1.881 27.860 29.700 0.067 0.000 1.298 365 E HN 1.575 nan 8.360 nan 0.000 0.400 366 G N 0.375 109.219 108.800 0.074 0.000 3.439 366 G HA2 -0.165 3.798 3.960 0.005 0.000 0.684 366 G HA3 -0.165 3.798 3.960 0.005 0.000 0.684 366 G C 0.341 175.158 174.900 -0.139 0.000 1.005 366 G CA 0.154 45.151 45.100 -0.173 0.000 0.837 366 G HN 0.618 nan 8.290 nan 0.000 0.470 367 T N 0.615 115.059 114.554 -0.184 0.000 2.748 367 T HA 0.291 4.644 4.350 0.005 0.000 0.304 367 T C 1.467 176.059 174.700 -0.181 0.000 1.041 367 T CA 0.569 62.551 62.100 -0.197 0.000 1.033 367 T CB 1.039 69.780 68.868 -0.212 0.000 0.995 367 T HN 0.806 nan 8.240 nan 0.000 0.536 368 H N 0.733 119.556 119.070 -0.411 0.000 2.319 368 H HA -0.140 4.418 4.556 0.005 0.000 0.297 368 H C 1.437 176.640 175.328 -0.208 0.000 1.097 368 H CA 2.545 58.406 56.048 -0.311 0.000 1.285 368 H CB -0.231 29.205 29.762 -0.542 0.000 1.368 368 H HN 0.682 nan 8.280 nan 0.000 0.495 369 D N 0.252 120.584 120.400 -0.112 0.000 2.144 369 D HA -0.125 4.518 4.640 0.005 0.000 0.200 369 D C 2.398 178.582 176.300 -0.193 0.000 0.978 369 D CA 1.377 55.300 54.000 -0.128 0.000 0.833 369 D CB -0.269 40.466 40.800 -0.109 0.000 0.961 369 D HN 0.455 nan 8.370 nan 0.000 0.470 370 V N -0.388 119.407 119.914 -0.199 0.000 2.427 370 V HA -0.193 3.930 4.120 0.005 0.000 0.248 370 V C 2.132 178.121 176.094 -0.174 0.000 1.051 370 V CA 1.491 63.703 62.300 -0.147 0.000 1.048 370 V CB -0.773 30.979 31.823 -0.118 0.000 0.666 370 V HN 0.168 nan 8.190 nan 0.000 0.456 371 H N 0.863 119.873 119.070 -0.101 0.000 2.389 371 H HA -0.056 4.503 4.556 0.005 0.000 0.299 371 H C 2.567 177.799 175.328 -0.160 0.000 1.081 371 H CA 2.060 58.040 56.048 -0.113 0.000 1.345 371 H CB -0.700 28.958 29.762 -0.174 0.000 1.393 371 H HN 0.485 nan 8.280 nan 0.000 0.520 372 T N 1.886 116.359 114.554 -0.135 0.000 2.720 372 T HA -0.099 4.254 4.350 0.005 0.000 0.268 372 T C 2.179 176.767 174.700 -0.186 0.000 1.037 372 T CA 0.637 62.638 62.100 -0.166 0.000 1.144 372 T CB -0.114 68.649 68.868 -0.175 0.000 0.864 372 T HN 0.073 nan 8.240 nan 0.000 0.444 373 L N 0.838 121.870 121.223 -0.318 0.000 2.141 373 L HA 0.018 4.361 4.340 0.005 0.000 0.209 373 L C 2.602 179.308 176.870 -0.273 0.000 1.094 373 L CA 1.121 55.611 54.840 -0.583 0.000 0.763 373 L CB -1.472 39.677 42.059 -1.518 0.000 0.908 373 L HN 0.179 nan 8.230 nan 0.000 0.437 374 V N 0.021 119.948 119.914 0.022 0.000 2.233 374 V HA -0.303 3.820 4.120 0.005 0.000 0.247 374 V C 2.626 178.769 176.094 0.081 0.000 1.050 374 V CA 1.544 63.968 62.300 0.206 0.000 1.010 374 V CB -0.364 31.576 31.823 0.196 0.000 0.637 374 V HN 0.305 nan 8.190 nan 0.000 0.444 375 L N 0.152 121.388 121.223 0.023 0.000 2.012 375 L HA -0.131 4.212 4.340 0.005 0.000 0.210 375 L C 2.675 179.537 176.870 -0.013 0.000 1.073 375 L CA 1.878 56.718 54.840 0.001 0.000 0.748 375 L CB -1.325 40.720 42.059 -0.022 0.000 0.891 375 L HN 0.492 nan 8.230 nan 0.000 0.431 376 G N -0.318 108.452 108.800 -0.050 0.000 2.446 376 G HA2 -0.314 3.649 3.960 0.005 0.000 0.217 376 G HA3 -0.314 3.649 3.960 0.005 0.000 0.217 376 G C 1.756 176.643 174.900 -0.022 0.000 1.168 376 G CA 0.761 45.827 45.100 -0.056 0.000 0.771 376 G HN 0.246 nan 8.290 nan 0.000 0.551 377 R N 0.350 120.854 120.500 0.006 0.000 2.120 377 R HA -0.058 4.285 4.340 0.005 0.000 0.234 377 R C 2.316 178.642 176.300 0.045 0.000 1.123 377 R CA 1.364 57.499 56.100 0.058 0.000 0.975 377 R CB -0.313 30.088 30.300 0.168 0.000 0.866 377 R HN 0.350 nan 8.270 nan 0.000 0.446 378 E N 0.623 120.846 120.200 0.039 0.000 2.047 378 E HA -0.158 4.195 4.350 0.005 0.000 0.191 378 E C 2.068 178.677 176.600 0.016 0.000 0.987 378 E CA 1.264 57.681 56.400 0.028 0.000 0.799 378 E CB -0.093 29.622 29.700 0.025 0.000 0.752 378 E HN 0.405 nan 8.360 nan 0.000 0.449 379 I N 0.494 121.070 120.570 0.009 0.000 2.286 379 I HA -0.220 3.953 4.170 0.005 0.000 0.245 379 I C 2.586 178.705 176.117 0.004 0.000 1.104 379 I CA 1.700 63.003 61.300 0.004 0.000 1.397 379 I CB -0.260 37.739 38.000 -0.002 0.000 1.072 379 I HN 0.149 nan 8.210 nan 0.000 0.417 380 T N -2.762 111.795 114.554 0.004 0.000 3.037 380 T HA 0.272 4.625 4.350 0.005 0.000 0.251 380 T C 1.653 176.358 174.700 0.009 0.000 1.079 380 T CA 0.544 62.646 62.100 0.004 0.000 1.067 380 T CB 0.591 69.459 68.868 -0.001 0.000 0.948 380 T HN 0.496 nan 8.240 nan 0.000 0.496 381 G N 1.361 110.170 108.800 0.015 0.000 2.179 381 G HA2 -0.196 3.767 3.960 0.005 0.000 0.260 381 G HA3 -0.196 3.767 3.960 0.005 0.000 0.260 381 G C -0.088 174.825 174.900 0.022 0.000 0.977 381 G CA 0.336 45.447 45.100 0.018 0.000 0.641 381 G HN 0.647 nan 8.290 nan 0.000 0.533 382 L N 0.271 121.508 121.223 0.024 0.000 2.317 382 L HA 0.442 4.785 4.340 0.005 0.000 0.281 382 L C 0.329 177.230 176.870 0.051 0.000 1.024 382 L CA -0.863 53.993 54.840 0.028 0.000 0.810 382 L CB 1.742 43.809 42.059 0.014 0.000 1.240 382 L HN 0.215 nan 8.230 nan 0.000 0.427 383 N N 1.455 120.199 118.700 0.073 0.000 2.408 383 N HA 0.371 5.114 4.740 0.005 0.000 0.257 383 N C 0.248 175.828 175.510 0.117 0.000 1.064 383 N CA -0.024 53.114 53.050 0.146 0.000 0.952 383 N CB 1.273 39.843 38.487 0.139 0.000 1.093 383 N HN 0.776 nan 8.380 nan 0.000 0.490 384 A N 3.847 126.714 122.820 0.078 0.000 2.470 384 A HA 0.253 4.576 4.320 0.005 0.000 0.251 384 A C -0.074 177.485 177.584 -0.042 0.000 1.245 384 A CA -0.480 51.546 52.037 -0.018 0.000 0.932 384 A CB -0.109 18.830 19.000 -0.101 0.000 1.037 384 A HN 0.580 nan 8.150 nan 0.000 0.522 385 F N 0.000 119.936 119.950 -0.023 0.000 2.286 385 F HA 0.000 4.530 4.527 0.005 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