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 1iax_1_A DATA FIRST_RESID 11 DATA SEQUENCE ILSKLATNEX XXXXSPYFDG WKAYDSDPFH PLKNPNGVIQ MGLAENQLCL DATA SEQUENCE DLIEDWIKRN PKGSIXXXXX XSFKAIANFQ DYHGLPEFRK AIAKFMEKTR DATA SEQUENCE GGRVRFDPER VVMAGGATGA NETIIFCLAD PGDAFLVPSP YYPAFNRDLR DATA SEQUENCE WRTGVQLIPI HCESSNNFKI TSKAVKEAYE NAQKSNIKVK GLILTNPSNP DATA SEQUENCE LGTTLDKDTL KSVLSFTNQH NIHLVCDEIY AATVFDTPQF VSIAEILDEQ DATA SEQUENCE EMTYCNKDLV HIVYSLSKDM GLPGFRVGII YSFNDDVVNC ARKMSSFGLV DATA SEQUENCE STQTQYFLAA MLSDEKFVDN FLRESAMRLG KRHKHFTNGL EVVGIKCLKN DATA SEQUENCE NAGLFCWMDL RPLLRESTFD SEMSLWRVII NDVKLNVSPG SSFECQEPGW DATA SEQUENCE FRVCFANMDD GTVDIALARI RRFVGVEK 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.122 176.117 0.009 0.000 1.063 11 I CA 0.000 61.305 61.300 0.008 0.000 1.566 11 I CB 0.000 38.004 38.000 0.007 0.000 1.214 12 L N 2.829 124.059 121.223 0.013 0.000 2.474 12 L HA 0.318 4.658 4.340 -0.000 0.000 0.259 12 L C 1.257 178.135 176.870 0.015 0.000 1.232 12 L CA -0.079 54.770 54.840 0.014 0.000 0.821 12 L CB 0.606 42.679 42.059 0.023 0.000 1.108 12 L HN 0.711 nan 8.230 nan 0.000 0.495 13 S N -0.065 115.643 115.700 0.012 0.000 2.617 13 S HA 0.125 4.595 4.470 -0.000 0.000 0.259 13 S C 0.768 175.386 174.600 0.029 0.000 1.301 13 S CA -0.563 57.643 58.200 0.010 0.000 0.984 13 S CB 0.842 64.037 63.200 -0.009 0.000 0.954 13 S HN 0.550 nan 8.310 nan 0.000 0.572 14 K N -0.033 120.385 120.400 0.030 0.000 2.057 14 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 14 K C 2.004 178.659 176.600 0.092 0.000 1.049 14 K CA 1.389 57.706 56.287 0.050 0.000 0.931 14 K CB -0.658 31.867 32.500 0.043 0.000 0.714 14 K HN 0.495 nan 8.250 nan 0.000 0.440 15 L N 0.469 121.750 121.223 0.097 0.000 1.994 15 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 15 L C 2.628 179.656 176.870 0.263 0.000 1.071 15 L CA 1.271 56.239 54.840 0.213 0.000 0.745 15 L CB -0.693 41.375 42.059 0.016 0.000 0.892 15 L HN 0.196 nan 8.230 nan 0.000 0.431 16 A N -1.146 121.759 122.820 0.141 0.000 2.019 16 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 16 A C 2.404 180.054 177.584 0.109 0.000 1.164 16 A CA 2.361 54.478 52.037 0.132 0.000 0.644 16 A CB -0.708 18.330 19.000 0.063 0.000 0.805 16 A HN 0.409 nan 8.150 nan 0.000 0.449 17 T N -0.774 113.833 114.554 0.088 0.000 3.035 17 T HA -0.013 4.337 4.350 -0.000 0.000 0.259 17 T C 1.000 175.736 174.700 0.059 0.000 1.078 17 T CA 0.789 62.925 62.100 0.061 0.000 1.132 17 T CB -0.466 68.428 68.868 0.043 0.000 0.900 17 T HN 0.419 nan 8.240 nan 0.000 0.480 18 N N 2.459 121.209 118.700 0.084 0.000 2.586 18 N HA 0.145 4.885 4.740 -0.000 0.000 0.206 18 N C -0.105 175.418 175.510 0.021 0.000 1.377 18 N CA 0.385 53.471 53.050 0.059 0.000 0.871 18 N CB -0.019 38.520 38.487 0.087 0.000 1.107 18 N HN 0.667 nan 8.380 nan 0.000 0.462 26 P HA 0.143 nan 4.420 nan 0.000 0.214 26 P C 0.376 177.611 177.300 -0.108 0.000 1.152 26 P CA 0.748 63.772 63.100 -0.126 0.000 0.874 26 P CB -0.075 31.399 31.700 -0.376 0.000 0.782 27 Y N -1.182 118.999 120.300 -0.199 0.000 2.470 27 Y HA 0.209 4.759 4.550 -0.000 0.000 0.302 27 Y C 1.282 177.071 175.900 -0.185 0.000 1.194 27 Y CA -0.055 57.883 58.100 -0.270 0.000 1.271 27 Y CB -0.888 37.202 38.460 -0.617 0.000 1.092 27 Y HN -0.140 nan 8.280 nan 0.000 0.513 28 F N -0.851 119.328 119.950 0.383 0.000 2.695 28 F HA 0.096 4.623 4.527 -0.000 0.000 0.303 28 F C 1.475 177.487 175.800 0.353 0.000 1.091 28 F CA -0.461 57.751 58.000 0.352 0.000 1.300 28 F CB 0.026 39.148 39.000 0.203 0.000 1.071 28 F HN 0.029 nan 8.300 nan 0.000 0.578 29 D N 0.396 121.045 120.400 0.416 0.000 2.182 29 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 29 D C 2.430 178.796 176.300 0.111 0.000 0.986 29 D CA 1.509 55.615 54.000 0.177 0.000 0.847 29 D CB -0.497 40.301 40.800 -0.002 0.000 0.942 29 D HN 0.390 nan 8.370 nan 0.000 0.467 30 G N 0.577 109.487 108.800 0.183 0.000 2.434 30 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.214 30 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.214 30 G C 1.419 176.528 174.900 0.349 0.000 1.202 30 G CA 0.452 45.666 45.100 0.190 0.000 0.788 30 G HN 0.314 nan 8.290 nan 0.000 0.539 31 W N 1.950 123.443 121.300 0.323 0.000 2.350 31 W HA -0.040 4.620 4.660 -0.000 0.000 0.289 31 W C 2.145 178.826 176.519 0.271 0.000 1.215 31 W CA 1.653 59.192 57.345 0.323 0.000 1.236 31 W CB -0.106 29.582 29.460 0.380 0.000 1.130 31 W HN 0.269 nan 8.180 nan 0.000 0.541 32 K N 0.647 121.304 120.400 0.429 0.000 1.991 32 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 32 K C 2.423 179.067 176.600 0.072 0.000 1.045 32 K CA 1.818 58.248 56.287 0.238 0.000 0.937 32 K CB -0.582 32.072 32.500 0.256 0.000 0.720 32 K HN -0.043 nan 8.250 nan 0.000 0.438 33 A N 0.930 123.796 122.820 0.077 0.000 1.869 33 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 33 A C 2.141 179.728 177.584 0.004 0.000 1.203 33 A CA 1.974 54.022 52.037 0.017 0.000 0.638 33 A CB -1.305 17.689 19.000 -0.010 0.000 0.831 33 A HN 0.637 nan 8.150 nan 0.000 0.450 34 Y N 1.410 121.663 120.300 -0.078 0.000 2.114 34 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 34 Y C 1.943 177.748 175.900 -0.158 0.000 1.165 34 Y CA 2.199 60.233 58.100 -0.110 0.000 1.148 34 Y CB -0.485 37.891 38.460 -0.140 0.000 0.972 34 Y HN 0.408 nan 8.280 nan 0.000 0.504 35 D N -0.727 119.415 120.400 -0.429 0.000 2.149 35 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 35 D C 2.338 178.446 176.300 -0.321 0.000 0.990 35 D CA 1.636 55.351 54.000 -0.475 0.000 0.839 35 D CB -0.268 40.336 40.800 -0.327 0.000 0.948 35 D HN 0.371 nan 8.370 nan 0.000 0.460 36 S N -0.093 115.487 115.700 -0.201 0.000 2.335 36 S HA -0.119 4.351 4.470 -0.000 0.000 0.217 36 S C 0.954 175.466 174.600 -0.146 0.000 1.032 36 S CA 0.732 58.851 58.200 -0.134 0.000 0.985 36 S CB 0.072 63.228 63.200 -0.074 0.000 0.896 36 S HN 0.126 nan 8.310 nan 0.000 0.445 37 D N 1.950 122.269 120.400 -0.136 0.000 2.970 37 D HA 0.238 4.878 4.640 -0.000 0.000 0.282 37 D C -2.706 173.527 176.300 -0.112 0.000 1.291 37 D CA -2.486 51.457 54.000 -0.095 0.000 0.967 37 D CB 0.472 41.251 40.800 -0.035 0.000 1.017 37 D HN 0.168 nan 8.370 nan 0.000 0.512 38 P HA 0.028 nan 4.420 nan 0.000 0.266 38 P C 0.146 177.467 177.300 0.035 0.000 1.215 38 P CA -0.455 62.446 63.100 -0.332 0.000 0.763 38 P CB 0.211 31.574 31.700 -0.562 0.000 0.806 39 F N 5.234 125.254 119.950 0.117 0.000 2.586 39 F HA 0.202 4.729 4.527 -0.000 0.000 0.344 39 F C 0.264 176.166 175.800 0.170 0.000 1.188 39 F CA 0.982 59.061 58.000 0.131 0.000 1.359 39 F CB 0.256 39.340 39.000 0.141 0.000 1.129 39 F HN 0.492 nan 8.300 nan 0.000 0.609 40 H N 6.154 124.461 119.070 -1.271 0.000 3.141 40 H HA 0.146 4.702 4.556 -0.000 0.000 0.309 40 H C -2.447 172.299 175.328 -0.970 0.000 1.083 40 H CA -1.043 54.427 56.048 -0.963 0.000 1.466 40 H CB 1.913 31.445 29.762 -0.383 0.000 2.095 40 H HN 0.360 nan 8.280 nan 0.000 0.467 41 P HA -0.204 nan 4.420 nan 0.000 0.217 41 P C 1.296 178.566 177.300 -0.050 0.000 1.158 41 P CA 1.267 64.147 63.100 -0.367 0.000 0.887 41 P CB 0.802 32.329 31.700 -0.288 0.000 0.792 42 L N -0.192 121.158 121.223 0.212 0.000 2.262 42 L HA 0.105 4.445 4.340 -0.000 0.000 0.197 42 L C 2.132 179.026 176.870 0.040 0.000 1.073 42 L CA 1.573 56.499 54.840 0.144 0.000 0.800 42 L CB -0.755 41.397 42.059 0.154 0.000 0.987 42 L HN -0.205 nan 8.230 nan 0.000 0.470 43 K N -0.604 119.743 120.400 -0.089 0.000 2.487 43 K HA 0.164 4.484 4.320 -0.000 0.000 0.192 43 K C -0.044 176.474 176.600 -0.136 0.000 1.027 43 K CA 0.381 56.542 56.287 -0.209 0.000 1.054 43 K CB -0.165 32.090 32.500 -0.408 0.000 0.824 43 K HN 0.186 nan 8.250 nan 0.000 0.510 44 N N 0.161 118.817 118.700 -0.074 0.000 3.664 44 N HA 0.020 4.760 4.740 -0.000 0.000 0.139 44 N C -2.554 172.923 175.510 -0.055 0.000 1.286 44 N CA -0.889 52.129 53.050 -0.053 0.000 1.541 44 N CB 0.663 39.113 38.487 -0.062 0.000 1.689 44 N HN -0.146 nan 8.380 nan 0.000 0.695 45 P HA -0.051 nan 4.420 nan 0.000 0.229 45 P C 0.068 177.555 177.300 0.312 0.000 1.150 45 P CA 0.929 64.087 63.100 0.097 0.000 0.765 45 P CB 0.369 32.126 31.700 0.095 0.000 0.783 46 N N -0.029 118.801 118.700 0.218 0.000 2.416 46 N HA 0.126 4.866 4.740 -0.000 0.000 0.267 46 N C 0.209 175.838 175.510 0.198 0.000 1.294 46 N CA -0.091 53.085 53.050 0.209 0.000 0.891 46 N CB 0.560 39.109 38.487 0.105 0.000 1.238 46 N HN -0.023 nan 8.380 nan 0.000 0.508 47 G N 0.115 109.102 108.800 0.311 0.000 2.476 47 G HA2 0.342 4.302 3.960 -0.000 0.000 0.286 47 G HA3 0.342 4.302 3.960 -0.000 0.000 0.286 47 G C 0.207 175.271 174.900 0.272 0.000 1.177 47 G CA -0.309 44.932 45.100 0.236 0.000 0.870 47 G HN 0.012 nan 8.290 nan 0.000 0.528 48 V N 1.441 121.467 119.914 0.187 0.000 2.720 48 V HA -0.031 4.089 4.120 -0.000 0.000 0.307 48 V C 0.783 177.028 176.094 0.251 0.000 1.071 48 V CA 0.466 62.866 62.300 0.166 0.000 1.199 48 V CB 0.169 32.094 31.823 0.169 0.000 0.900 48 V HN 0.421 nan 8.190 nan 0.000 0.494 49 I N 3.451 124.045 120.570 0.039 0.000 2.396 49 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 49 I C 0.362 176.393 176.117 -0.144 0.000 0.999 49 I CA -0.365 60.891 61.300 -0.072 0.000 1.310 49 I CB 1.309 39.145 38.000 -0.273 0.000 1.404 49 I HN 0.608 nan 8.210 nan 0.000 0.496 50 Q N 6.962 126.579 119.800 -0.306 0.000 2.452 50 Q HA 0.249 4.589 4.340 -0.000 0.000 0.230 50 Q C -0.437 175.429 176.000 -0.223 0.000 1.180 50 Q CA 0.715 56.208 55.803 -0.515 0.000 0.914 50 Q CB 0.461 28.695 28.738 -0.840 0.000 1.408 50 Q HN 0.595 nan 8.270 nan 0.000 0.520 51 M N 2.247 121.771 119.600 -0.125 0.000 2.692 51 M HA 0.345 4.824 4.480 -0.000 0.000 0.372 51 M C 0.716 177.029 176.300 0.021 0.000 1.192 51 M CA -0.025 55.239 55.300 -0.061 0.000 0.928 51 M CB 1.205 33.773 32.600 -0.053 0.000 1.366 51 M HN 0.666 nan 8.290 nan 0.000 0.517 52 G N 0.409 109.237 108.800 0.047 0.000 3.228 52 G HA2 0.392 4.352 3.960 -0.000 0.000 0.245 52 G HA3 0.392 4.352 3.960 -0.000 0.000 0.245 52 G C 0.112 175.106 174.900 0.157 0.000 1.051 52 G CA -0.083 45.102 45.100 0.142 0.000 0.809 52 G HN 0.244 nan 8.290 nan 0.000 0.531 53 L N 1.561 122.855 121.223 0.119 0.000 2.313 53 L HA 0.554 4.894 4.340 -0.000 0.000 0.283 53 L C 0.591 177.550 176.870 0.148 0.000 1.013 53 L CA -0.996 53.940 54.840 0.159 0.000 0.816 53 L CB 2.196 44.353 42.059 0.164 0.000 1.236 53 L HN 0.034 nan 8.230 nan 0.000 0.419 54 A N 3.556 126.500 122.820 0.208 0.000 2.958 54 A HA 0.177 4.497 4.320 -0.000 0.000 0.247 54 A C 0.349 178.049 177.584 0.192 0.000 1.679 54 A CA -0.230 51.972 52.037 0.275 0.000 1.345 54 A CB -0.786 18.475 19.000 0.435 0.000 1.013 54 A HN 0.742 nan 8.150 nan 0.000 0.641 55 E N 0.864 121.139 120.200 0.125 0.000 2.266 55 E HA 0.184 4.534 4.350 -0.000 0.000 0.277 55 E C -0.528 176.116 176.600 0.073 0.000 1.018 55 E CA -0.755 55.699 56.400 0.090 0.000 0.840 55 E CB 0.991 30.739 29.700 0.079 0.000 1.082 55 E HN 0.382 nan 8.360 nan 0.000 0.395 56 N N 2.241 120.980 118.700 0.065 0.000 2.558 56 N HA 0.053 4.793 4.740 -0.000 0.000 0.242 56 N C -0.467 175.083 175.510 0.067 0.000 0.979 56 N CA 0.036 53.127 53.050 0.068 0.000 0.931 56 N CB 1.023 39.558 38.487 0.079 0.000 1.122 56 N HN 0.474 nan 8.380 nan 0.000 0.508 57 Q N 2.630 122.467 119.800 0.061 0.000 2.246 57 Q HA 0.275 4.615 4.340 -0.000 0.000 0.222 57 Q C 1.503 177.537 176.000 0.057 0.000 0.851 57 Q CA -0.045 55.795 55.803 0.062 0.000 0.945 57 Q CB 0.762 29.534 28.738 0.056 0.000 1.122 57 Q HN 0.592 nan 8.270 nan 0.000 0.508 58 L N -0.444 120.806 121.223 0.045 0.000 2.189 58 L HA -0.204 4.136 4.340 -0.000 0.000 0.214 58 L C 1.273 178.143 176.870 0.000 0.000 1.097 58 L CA 0.764 55.617 54.840 0.022 0.000 0.764 58 L CB -0.136 41.929 42.059 0.010 0.000 0.900 58 L HN 0.319 nan 8.230 nan 0.000 0.436 59 C N -0.924 118.379 119.300 0.005 0.000 2.863 59 C HA 0.220 4.680 4.460 -0.000 0.000 0.284 59 C C 2.148 177.237 174.990 0.165 0.000 1.426 59 C CA -0.687 58.326 59.018 -0.009 0.000 1.782 59 C CB -0.463 27.091 27.740 -0.309 0.000 2.554 59 C HN 0.419 nan 8.230 nan 0.000 0.566 60 L N 1.836 123.148 121.223 0.149 0.000 2.141 60 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 60 L C 2.658 179.639 176.870 0.186 0.000 1.094 60 L CA 1.793 56.738 54.840 0.175 0.000 0.763 60 L CB -0.271 41.854 42.059 0.109 0.000 0.908 60 L HN 0.570 nan 8.230 nan 0.000 0.437 61 D N 0.237 120.724 120.400 0.145 0.000 2.149 61 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 61 D C 2.124 178.545 176.300 0.201 0.000 0.990 61 D CA 1.246 55.331 54.000 0.142 0.000 0.839 61 D CB -0.498 40.361 40.800 0.098 0.000 0.948 61 D HN 0.354 nan 8.370 nan 0.000 0.460 62 L N 0.278 121.641 121.223 0.234 0.000 2.046 62 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 62 L C 2.906 180.094 176.870 0.531 0.000 1.077 62 L CA 0.937 55.981 54.840 0.340 0.000 0.747 62 L CB -0.372 41.859 42.059 0.286 0.000 0.896 62 L HN 0.002 nan 8.230 nan 0.000 0.432 63 I N -0.390 120.490 120.570 0.515 0.000 2.252 63 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 63 I C 2.408 178.752 176.117 0.378 0.000 1.102 63 I CA 1.250 62.821 61.300 0.452 0.000 1.385 63 I CB -0.379 37.815 38.000 0.324 0.000 1.064 63 I HN 0.317 nan 8.210 nan 0.000 0.414 64 E N 1.009 121.381 120.200 0.287 0.000 2.051 64 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 64 E C 1.727 178.463 176.600 0.225 0.000 0.991 64 E CA 1.399 57.934 56.400 0.224 0.000 0.799 64 E CB -0.126 29.669 29.700 0.158 0.000 0.748 64 E HN 0.436 nan 8.360 nan 0.000 0.449 65 D N 0.359 120.904 120.400 0.241 0.000 2.103 65 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 65 D C 1.440 177.875 176.300 0.225 0.000 0.997 65 D CA 0.980 55.106 54.000 0.211 0.000 0.833 65 D CB -0.612 40.328 40.800 0.233 0.000 0.961 65 D HN 0.276 nan 8.370 nan 0.000 0.447 66 W N 1.573 122.959 121.300 0.143 0.000 2.321 66 W HA -0.138 4.522 4.660 -0.000 0.000 0.306 66 W C 2.020 178.542 176.519 0.006 0.000 1.217 66 W CA 1.222 58.602 57.345 0.059 0.000 1.257 66 W CB -0.347 29.060 29.460 -0.089 0.000 1.145 66 W HN -0.090 nan 8.180 nan 0.000 0.509 67 I N 0.950 121.705 120.570 0.309 0.000 2.953 67 I HA -0.252 3.918 4.170 -0.000 0.000 0.271 67 I C 0.991 177.085 176.117 -0.039 0.000 1.286 67 I CA 1.272 62.684 61.300 0.187 0.000 1.449 67 I CB -0.688 37.494 38.000 0.304 0.000 1.086 67 I HN 0.012 nan 8.210 nan 0.000 0.483 68 K N 1.030 121.382 120.400 -0.080 0.000 2.811 68 K HA 0.307 4.627 4.320 -0.000 0.000 0.217 68 K C 0.343 176.836 176.600 -0.177 0.000 1.115 68 K CA -0.078 56.157 56.287 -0.087 0.000 1.179 68 K CB 0.502 32.989 32.500 -0.021 0.000 0.994 68 K HN 0.299 nan 8.250 nan 0.000 0.464 69 R N 0.087 120.379 120.500 -0.345 0.000 2.949 69 R HA 0.144 4.484 4.340 -0.000 0.000 0.092 69 R C -0.828 175.217 176.300 -0.425 0.000 0.509 69 R CA -0.789 55.093 56.100 -0.363 0.000 0.303 69 R CB -0.108 29.965 30.300 -0.379 0.000 0.347 69 R HN 0.146 nan 8.270 nan 0.000 0.316 70 N N 2.770 121.164 118.700 -0.511 0.000 2.417 70 N HA 0.339 5.079 4.740 -0.000 0.000 0.300 70 N C -2.525 172.747 175.510 -0.396 0.000 1.102 70 N CA -1.350 51.486 53.050 -0.356 0.000 0.886 70 N CB 2.664 41.048 38.487 -0.172 0.000 1.203 70 N HN 0.084 nan 8.380 nan 0.000 0.496 71 P HA 0.199 nan 4.420 nan 0.000 0.288 71 P C -0.502 176.749 177.300 -0.082 0.000 1.333 71 P CA 0.167 63.207 63.100 -0.100 0.000 0.806 71 P CB 0.473 32.148 31.700 -0.042 0.000 2.004 72 K N 0.616 121.010 120.400 -0.010 0.000 2.219 72 K HA 0.373 4.693 4.320 -0.000 0.000 0.280 72 K C 1.265 177.941 176.600 0.128 0.000 1.104 72 K CA -0.027 56.319 56.287 0.097 0.000 0.925 72 K CB -0.601 32.050 32.500 0.252 0.000 1.261 72 K HN 0.370 nan 8.250 nan 0.000 0.445 73 G N 2.063 110.945 108.800 0.137 0.000 2.440 73 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 73 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 73 G C -0.286 174.898 174.900 0.474 0.000 1.154 73 G CA 0.898 46.177 45.100 0.300 0.000 0.767 73 G HN 0.737 nan 8.290 nan 0.000 0.552 74 S N -1.468 114.476 115.700 0.408 0.000 2.582 74 S HA 0.522 4.992 4.470 -0.000 0.000 0.296 74 S C -0.860 173.865 174.600 0.209 0.000 1.118 74 S CA -0.921 57.519 58.200 0.399 0.000 0.947 74 S CB 0.850 64.200 63.200 0.251 0.000 1.131 74 S HN 0.112 nan 8.310 nan 0.000 0.453 83 F N 3.827 123.707 119.950 -0.116 0.000 2.091 83 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 83 F C 2.073 177.832 175.800 -0.067 0.000 1.103 83 F CA 2.293 60.222 58.000 -0.118 0.000 1.228 83 F CB -0.326 38.617 39.000 -0.094 0.000 0.984 83 F HN 0.179 nan 8.300 nan 0.000 0.477 84 K N 0.145 120.468 120.400 -0.129 0.000 2.103 84 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 84 K C 2.322 178.807 176.600 -0.192 0.000 1.048 84 K CA 1.277 57.452 56.287 -0.187 0.000 0.930 84 K CB -0.629 31.858 32.500 -0.022 0.000 0.716 84 K HN 0.379 nan 8.250 nan 0.000 0.444 85 A N 2.054 124.809 122.820 -0.109 0.000 1.877 85 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 85 A C 2.225 179.800 177.584 -0.015 0.000 1.186 85 A CA 1.636 53.653 52.037 -0.034 0.000 0.620 85 A CB -0.668 18.343 19.000 0.020 0.000 0.822 85 A HN 0.475 nan 8.150 nan 0.000 0.443 86 I N -3.289 117.206 120.570 -0.125 0.000 2.480 86 I HA 0.122 4.292 4.170 -0.000 0.000 0.251 86 I C 2.284 178.283 176.117 -0.197 0.000 1.124 86 I CA 1.248 62.475 61.300 -0.122 0.000 1.444 86 I CB -0.365 37.511 38.000 -0.205 0.000 1.098 86 I HN 0.151 nan 8.210 nan 0.000 0.428 87 A N 1.163 123.711 122.820 -0.454 0.000 2.070 87 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 87 A C 2.152 179.594 177.584 -0.236 0.000 1.159 87 A CA 2.081 53.818 52.037 -0.500 0.000 0.656 87 A CB -1.064 17.339 19.000 -0.996 0.000 0.800 87 A HN 0.748 nan 8.150 nan 0.000 0.453 88 N N -2.447 116.158 118.700 -0.159 0.000 2.273 88 N HA 0.090 4.830 4.740 -0.000 0.000 0.192 88 N C -0.176 175.325 175.510 -0.016 0.000 1.132 88 N CA -0.479 52.521 53.050 -0.083 0.000 0.887 88 N CB 0.150 38.580 38.487 -0.095 0.000 1.048 88 N HN 0.274 nan 8.380 nan 0.000 0.490 89 F N 3.311 123.195 119.950 -0.111 0.000 2.602 89 F HA -0.025 4.502 4.527 -0.000 0.000 0.385 89 F C 0.489 176.258 175.800 -0.050 0.000 1.063 89 F CA 0.646 58.604 58.000 -0.070 0.000 1.233 89 F CB 0.506 39.471 39.000 -0.058 0.000 1.067 89 F HN 0.192 nan 8.300 nan 0.000 0.564 90 Q N 3.754 123.523 119.800 -0.051 0.000 2.275 90 Q HA 0.178 4.518 4.340 -0.000 0.000 0.314 90 Q C -1.179 174.822 176.000 0.001 0.000 0.851 90 Q CA -0.607 55.246 55.803 0.083 0.000 1.083 90 Q CB 0.227 28.973 28.738 0.012 0.000 1.341 90 Q HN 0.537 nan 8.270 nan 0.000 0.402 91 D N 0.818 121.216 120.400 -0.002 0.000 2.280 91 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 91 D C 0.370 176.915 176.300 0.407 0.000 1.129 91 D CA -0.424 53.599 54.000 0.039 0.000 0.848 91 D CB 0.643 41.391 40.800 -0.087 0.000 1.107 91 D HN 0.362 nan 8.370 nan 0.000 0.471 92 Y N 2.129 122.536 120.300 0.179 0.000 2.639 92 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 92 Y C 1.433 177.381 175.900 0.080 0.000 1.155 92 Y CA 0.251 58.404 58.100 0.088 0.000 1.379 92 Y CB 0.114 38.565 38.460 -0.015 0.000 0.967 92 Y HN 0.572 nan 8.280 nan 0.000 0.569 93 H N -0.795 118.452 119.070 0.296 0.000 2.465 93 H HA 0.226 4.781 4.556 -0.000 0.000 0.289 93 H C 1.423 176.917 175.328 0.278 0.000 1.022 93 H CA 0.655 56.855 56.048 0.253 0.000 1.340 93 H CB -0.011 29.876 29.762 0.208 0.000 1.437 93 H HN 0.340 nan 8.280 nan 0.000 0.539 94 G N -0.210 108.868 108.800 0.463 0.000 2.712 94 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.683 94 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.683 94 G C -0.691 174.084 174.900 -0.208 0.000 1.320 94 G CA -0.546 44.648 45.100 0.158 0.000 0.847 94 G HN 0.243 nan 8.290 nan 0.000 0.553 95 L N 1.400 122.262 121.223 -0.601 0.000 2.540 95 L HA 0.073 4.412 4.340 -0.000 0.000 0.276 95 L C -0.469 176.342 176.870 -0.098 0.000 1.212 95 L CA -0.723 53.753 54.840 -0.607 0.000 0.893 95 L CB 0.505 42.340 42.059 -0.374 0.000 1.138 95 L HN 0.464 nan 8.230 nan 0.000 0.491 96 P HA -0.282 nan 4.420 nan 0.000 0.221 96 P C 1.210 178.554 177.300 0.073 0.000 1.160 96 P CA 1.348 64.494 63.100 0.077 0.000 0.933 96 P CB 0.276 32.024 31.700 0.080 0.000 0.793 97 E N -2.191 118.043 120.200 0.056 0.000 2.427 97 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 97 E C 1.567 178.196 176.600 0.049 0.000 1.028 97 E CA 0.268 56.692 56.400 0.039 0.000 0.864 97 E CB -0.972 28.735 29.700 0.012 0.000 0.813 97 E HN 0.122 nan 8.360 nan 0.000 0.514 98 F N 1.088 121.008 119.950 -0.051 0.000 2.060 98 F HA -0.077 4.450 4.527 -0.000 0.000 0.295 98 F C 2.021 177.816 175.800 -0.007 0.000 1.120 98 F CA 1.725 59.697 58.000 -0.047 0.000 1.205 98 F CB -0.217 38.748 39.000 -0.057 0.000 0.986 98 F HN -0.082 nan 8.300 nan 0.000 0.470 99 R N 0.453 120.899 120.500 -0.090 0.000 2.103 99 R HA -0.183 4.156 4.340 -0.000 0.000 0.242 99 R C 2.207 178.426 176.300 -0.134 0.000 1.142 99 R CA 2.039 58.056 56.100 -0.138 0.000 0.960 99 R CB -0.402 29.936 30.300 0.063 0.000 0.858 99 R HN 0.338 nan 8.270 nan 0.000 0.439 100 K N 0.149 120.510 120.400 -0.065 0.000 2.057 100 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 100 K C 2.204 178.754 176.600 -0.084 0.000 1.049 100 K CA 1.304 57.565 56.287 -0.044 0.000 0.931 100 K CB -0.146 32.349 32.500 -0.008 0.000 0.714 100 K HN 0.149 nan 8.250 nan 0.000 0.440 101 A N 1.907 124.648 122.820 -0.133 0.000 1.877 101 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 101 A C 2.129 179.618 177.584 -0.158 0.000 1.186 101 A CA 1.164 53.116 52.037 -0.141 0.000 0.620 101 A CB -0.440 18.456 19.000 -0.173 0.000 0.822 101 A HN 0.082 nan 8.150 nan 0.000 0.443 102 I N 0.139 120.529 120.570 -0.300 0.000 2.127 102 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 102 I C 2.984 179.009 176.117 -0.153 0.000 1.075 102 I CA 1.620 62.776 61.300 -0.240 0.000 1.334 102 I CB -1.697 36.066 38.000 -0.396 0.000 1.040 102 I HN 0.371 nan 8.210 nan 0.000 0.405 103 A N 0.821 123.539 122.820 -0.170 0.000 1.883 103 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 103 A C 2.374 179.867 177.584 -0.152 0.000 1.186 103 A CA 1.692 53.625 52.037 -0.173 0.000 0.624 103 A CB -0.568 18.410 19.000 -0.037 0.000 0.822 103 A HN 0.369 nan 8.150 nan 0.000 0.444 104 K N -1.862 118.496 120.400 -0.070 0.000 2.097 104 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 104 K C 1.763 178.336 176.600 -0.045 0.000 1.049 104 K CA 1.459 57.723 56.287 -0.038 0.000 0.933 104 K CB -0.297 32.202 32.500 -0.003 0.000 0.717 104 K HN 0.510 nan 8.250 nan 0.000 0.442 105 F N 1.551 121.391 119.950 -0.184 0.000 2.206 105 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 105 F C 2.052 177.697 175.800 -0.259 0.000 1.090 105 F CA 1.238 59.135 58.000 -0.172 0.000 1.323 105 F CB -0.089 38.827 39.000 -0.140 0.000 1.028 105 F HN -0.088 nan 8.300 nan 0.000 0.492 106 M N -0.342 118.994 119.600 -0.441 0.000 2.296 106 M HA -0.172 4.308 4.480 -0.000 0.000 0.265 106 M C 1.874 177.730 176.300 -0.741 0.000 1.064 106 M CA 1.504 56.292 55.300 -0.852 0.000 1.109 106 M CB -0.407 31.387 32.600 -1.343 0.000 1.396 106 M HN 0.199 nan 8.290 nan 0.000 0.430 107 E N 0.137 120.067 120.200 -0.450 0.000 2.021 107 E HA -0.113 4.236 4.350 -0.000 0.000 0.189 107 E C 2.018 178.507 176.600 -0.186 0.000 0.980 107 E CA 0.641 56.924 56.400 -0.195 0.000 0.803 107 E CB -0.029 29.642 29.700 -0.050 0.000 0.766 107 E HN 0.261 nan 8.360 nan 0.000 0.449 108 K N 0.612 120.886 120.400 -0.209 0.000 2.127 108 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 108 K C 2.222 178.683 176.600 -0.232 0.000 1.047 108 K CA 1.304 57.480 56.287 -0.185 0.000 0.927 108 K CB -0.639 31.754 32.500 -0.179 0.000 0.716 108 K HN 0.135 nan 8.250 nan 0.000 0.450 109 T N 0.820 115.143 114.554 -0.384 0.000 2.614 109 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 109 T C 1.389 176.039 174.700 -0.084 0.000 1.055 109 T CA 1.273 63.176 62.100 -0.327 0.000 1.162 109 T CB -0.099 68.469 68.868 -0.501 0.000 0.863 109 T HN 0.223 nan 8.240 nan 0.000 0.414 110 R N 0.640 121.102 120.500 -0.064 0.000 3.298 110 R HA 0.311 4.651 4.340 -0.000 0.000 0.249 110 R C 1.522 177.818 176.300 -0.006 0.000 1.563 110 R CA 0.444 56.571 56.100 0.044 0.000 1.378 110 R CB -0.454 29.879 30.300 0.055 0.000 1.250 110 R HN 0.552 nan 8.270 nan 0.000 0.580 111 G N -0.751 108.038 108.800 -0.018 0.000 2.320 111 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.242 111 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.242 111 G C 0.903 175.787 174.900 -0.028 0.000 1.033 111 G CA -0.008 45.078 45.100 -0.023 0.000 0.620 111 G HN 0.712 nan 8.290 nan 0.000 0.517 112 G N -0.734 108.051 108.800 -0.025 0.000 2.175 112 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.244 112 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.244 112 G C 0.978 175.880 174.900 0.003 0.000 0.982 112 G CA 1.233 46.324 45.100 -0.015 0.000 0.641 112 G HN 1.008 nan 8.290 nan 0.000 0.527 113 R N -0.662 119.839 120.500 0.001 0.000 2.093 113 R HA 0.365 4.705 4.340 -0.000 0.000 0.224 113 R C 1.444 177.747 176.300 0.006 0.000 1.101 113 R CA 1.176 57.274 56.100 -0.004 0.000 0.979 113 R CB 0.144 30.432 30.300 -0.020 0.000 0.877 113 R HN 0.525 nan 8.270 nan 0.000 0.441 114 V N 1.287 121.220 119.914 0.031 0.000 2.713 114 V HA 0.346 4.466 4.120 -0.000 0.000 0.307 114 V C -0.606 175.536 176.094 0.080 0.000 1.052 114 V CA -0.910 61.409 62.300 0.031 0.000 0.967 114 V CB 1.636 33.474 31.823 0.025 0.000 1.019 114 V HN 0.113 nan 8.190 nan 0.000 0.459 115 R N 3.922 124.427 120.500 0.008 0.000 2.540 115 R HA 0.526 4.865 4.340 -0.000 0.000 0.287 115 R C -1.515 174.736 176.300 -0.081 0.000 0.980 115 R CA -0.248 55.878 56.100 0.044 0.000 0.966 115 R CB 1.606 31.917 30.300 0.018 0.000 1.106 115 R HN 0.643 nan 8.270 nan 0.000 0.480 116 F N 0.001 119.905 119.950 -0.076 0.000 2.520 116 F HA 0.173 4.699 4.527 -0.000 0.000 0.322 116 F C 0.463 176.244 175.800 -0.031 0.000 1.103 116 F CA -0.914 57.004 58.000 -0.137 0.000 0.926 116 F CB 1.662 40.439 39.000 -0.372 0.000 1.154 116 F HN 0.265 nan 8.300 nan 0.000 0.453 117 D N 5.529 126.058 120.400 0.215 0.000 2.428 117 D HA 0.211 4.851 4.640 -0.000 0.000 0.221 117 D C -1.579 174.847 176.300 0.209 0.000 1.123 117 D CA -2.373 51.734 54.000 0.178 0.000 0.869 117 D CB 1.436 42.315 40.800 0.132 0.000 1.032 117 D HN 0.162 nan 8.370 nan 0.000 0.506 118 P HA -0.186 nan 4.420 nan 0.000 0.219 118 P C 0.786 178.168 177.300 0.137 0.000 1.144 118 P CA 0.864 64.031 63.100 0.111 0.000 0.806 118 P CB 0.600 32.338 31.700 0.064 0.000 0.771 119 E N -0.128 120.151 120.200 0.132 0.000 2.274 119 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 119 E C 1.931 178.598 176.600 0.113 0.000 0.996 119 E CA 0.640 57.119 56.400 0.131 0.000 0.840 119 E CB -0.296 29.466 29.700 0.104 0.000 0.772 119 E HN 0.396 nan 8.360 nan 0.000 0.491 120 R N 0.313 120.882 120.500 0.115 0.000 2.317 120 R HA 0.134 4.473 4.340 -0.000 0.000 0.208 120 R C 0.127 176.502 176.300 0.124 0.000 0.914 120 R CA -0.109 56.002 56.100 0.019 0.000 1.060 120 R CB 0.644 30.812 30.300 -0.219 0.000 1.015 120 R HN -0.123 nan 8.270 nan 0.000 0.498 121 V N 1.994 122.045 119.914 0.227 0.000 2.455 121 V HA 0.117 4.237 4.120 -0.000 0.000 0.273 121 V C 0.056 176.247 176.094 0.163 0.000 1.045 121 V CA -0.053 62.392 62.300 0.243 0.000 0.976 121 V CB 1.463 33.379 31.823 0.154 0.000 0.993 121 V HN -0.136 nan 8.190 nan 0.000 0.475 122 V N 6.639 126.651 119.914 0.164 0.000 2.604 122 V HA 0.491 4.610 4.120 -0.000 0.000 0.305 122 V C 0.147 176.336 176.094 0.158 0.000 1.043 122 V CA -0.694 61.681 62.300 0.124 0.000 0.888 122 V CB 1.948 33.814 31.823 0.071 0.000 0.995 122 V HN 0.800 nan 8.190 nan 0.000 0.429 123 M N 3.039 122.730 119.600 0.152 0.000 2.267 123 M HA 0.827 5.306 4.480 -0.000 0.000 0.303 123 M C 0.039 176.397 176.300 0.096 0.000 1.164 123 M CA -0.206 55.188 55.300 0.157 0.000 1.060 123 M CB 1.513 34.199 32.600 0.145 0.000 1.455 123 M HN 0.823 nan 8.290 nan 0.000 0.483 124 A N -0.080 122.797 122.820 0.095 0.000 2.567 124 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 124 A C -0.409 177.223 177.584 0.079 0.000 1.048 124 A CA -0.512 51.573 52.037 0.080 0.000 0.661 124 A CB 0.364 19.421 19.000 0.094 0.000 1.288 124 A HN 0.943 nan 8.150 nan 0.000 0.424 125 G N 0.839 109.685 108.800 0.077 0.000 2.778 125 G HA2 0.596 4.556 3.960 -0.000 0.000 0.287 125 G HA3 0.596 4.556 3.960 -0.000 0.000 0.287 125 G C 1.016 175.963 174.900 0.079 0.000 0.747 125 G CA 1.284 46.428 45.100 0.074 0.000 1.961 125 G HN 2.416 nan 8.290 nan 0.000 0.539 126 G N 0.998 109.843 108.800 0.075 0.000 2.752 126 G HA2 0.144 4.104 3.960 -0.000 0.000 0.234 126 G HA3 0.144 4.104 3.960 -0.000 0.000 0.234 126 G C 1.273 176.211 174.900 0.063 0.000 1.367 126 G CA 0.051 45.188 45.100 0.061 0.000 0.879 126 G HN 1.514 nan 8.290 nan 0.000 0.563 127 A N -1.834 121.011 122.820 0.042 0.000 2.014 127 A HA 0.184 4.504 4.320 -0.000 0.000 0.218 127 A C 2.611 180.266 177.584 0.119 0.000 1.163 127 A CA 2.777 54.852 52.037 0.064 0.000 0.652 127 A CB -0.860 18.147 19.000 0.012 0.000 0.808 127 A HN 1.415 nan 8.150 nan 0.000 0.449 128 T N -0.019 114.610 114.554 0.126 0.000 2.607 128 T HA -0.139 4.210 4.350 -0.000 0.000 0.267 128 T C 1.970 176.744 174.700 0.123 0.000 1.049 128 T CA 1.858 64.048 62.100 0.149 0.000 1.162 128 T CB -0.693 68.255 68.868 0.133 0.000 0.863 128 T HN 0.582 nan 8.240 nan 0.000 0.424 129 G N 0.728 109.592 108.800 0.106 0.000 2.408 129 G HA2 0.023 3.983 3.960 -0.000 0.000 0.217 129 G HA3 0.023 3.983 3.960 -0.000 0.000 0.217 129 G C 1.842 176.803 174.900 0.101 0.000 1.150 129 G CA 0.914 46.075 45.100 0.103 0.000 0.776 129 G HN 0.589 nan 8.290 nan 0.000 0.542 130 A N 1.426 124.307 122.820 0.101 0.000 1.883 130 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 130 A C 2.314 179.945 177.584 0.077 0.000 1.186 130 A CA 1.930 54.027 52.037 0.101 0.000 0.624 130 A CB -0.493 18.578 19.000 0.118 0.000 0.822 130 A HN 0.352 nan 8.150 nan 0.000 0.444 131 N N -0.443 118.306 118.700 0.081 0.000 2.058 131 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 131 N C 1.805 177.276 175.510 -0.065 0.000 1.037 131 N CA 1.592 54.656 53.050 0.023 0.000 0.848 131 N CB -0.487 38.066 38.487 0.111 0.000 1.021 131 N HN 0.750 nan 8.380 nan 0.000 0.422 132 E N 0.185 120.371 120.200 -0.023 0.000 2.085 132 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 132 E C 1.300 177.883 176.600 -0.029 0.000 0.994 132 E CA 1.329 57.668 56.400 -0.101 0.000 0.801 132 E CB 0.123 29.812 29.700 -0.019 0.000 0.743 132 E HN 0.277 nan 8.360 nan 0.000 0.453 133 T N 1.091 115.715 114.554 0.116 0.000 2.737 133 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 133 T C 1.804 176.553 174.700 0.082 0.000 1.038 133 T CA 1.033 63.252 62.100 0.199 0.000 1.144 133 T CB -0.223 68.732 68.868 0.145 0.000 0.866 133 T HN 0.146 nan 8.240 nan 0.000 0.434 134 I N 1.085 121.646 120.570 -0.015 0.000 2.567 134 I HA -0.079 4.090 4.170 -0.000 0.000 0.257 134 I C 1.589 177.585 176.117 -0.202 0.000 1.184 134 I CA 0.849 62.090 61.300 -0.098 0.000 1.451 134 I CB -0.304 37.640 38.000 -0.093 0.000 1.089 134 I HN 0.151 nan 8.210 nan 0.000 0.441 135 I N -0.941 119.468 120.570 -0.267 0.000 2.400 135 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 135 I C 2.259 178.258 176.117 -0.196 0.000 1.109 135 I CA 1.081 62.137 61.300 -0.408 0.000 1.425 135 I CB -1.289 36.374 38.000 -0.563 0.000 1.094 135 I HN 0.100 nan 8.210 nan 0.000 0.425 136 F N 1.205 121.064 119.950 -0.152 0.000 2.202 136 F HA -0.254 4.273 4.527 -0.000 0.000 0.301 136 F C 2.757 178.506 175.800 -0.085 0.000 1.082 136 F CA 1.274 59.214 58.000 -0.101 0.000 1.313 136 F CB -0.880 38.073 39.000 -0.078 0.000 1.024 136 F HN 0.125 nan 8.300 nan 0.000 0.495 137 C N -0.754 118.601 119.300 0.091 0.000 2.467 137 C HA 0.004 4.464 4.460 -0.000 0.000 0.279 137 C C 2.694 177.645 174.990 -0.065 0.000 1.347 137 C CA 0.470 59.491 59.018 0.005 0.000 1.748 137 C CB -1.029 26.689 27.740 -0.035 0.000 1.977 137 C HN 0.362 nan 8.230 nan 0.000 0.501 138 L N -0.185 120.964 121.223 -0.124 0.000 2.357 138 L HA 0.289 4.629 4.340 -0.000 0.000 0.211 138 L C 1.055 177.930 176.870 0.009 0.000 1.075 138 L CA 0.499 55.225 54.840 -0.189 0.000 0.830 138 L CB -0.353 41.548 42.059 -0.262 0.000 0.996 138 L HN 0.208 nan 8.230 nan 0.000 0.467 139 A N -0.834 122.024 122.820 0.063 0.000 2.413 139 A HA 0.562 4.882 4.320 -0.000 0.000 0.307 139 A C -1.315 176.307 177.584 0.065 0.000 1.087 139 A CA -0.690 51.414 52.037 0.112 0.000 0.750 139 A CB 1.221 20.351 19.000 0.216 0.000 1.296 139 A HN -0.050 nan 8.150 nan 0.000 0.423 140 D N 0.914 121.355 120.400 0.069 0.000 2.332 140 D HA 0.461 5.101 4.640 -0.000 0.000 0.252 140 D C -2.580 173.746 176.300 0.042 0.000 1.050 140 D CA -1.111 52.924 54.000 0.059 0.000 0.970 140 D CB 0.800 41.633 40.800 0.055 0.000 1.141 140 D HN 0.159 nan 8.370 nan 0.000 0.485 141 P HA 0.108 nan 4.420 nan 0.000 0.265 141 P C 0.813 178.129 177.300 0.026 0.000 1.193 141 P CA 0.701 63.813 63.100 0.021 0.000 0.765 141 P CB 0.585 32.301 31.700 0.027 0.000 0.823 142 G N 1.799 110.612 108.800 0.022 0.000 2.284 142 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.230 142 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.230 142 G C 0.187 175.108 174.900 0.035 0.000 1.021 142 G CA -0.236 44.880 45.100 0.027 0.000 0.619 142 G HN 0.507 nan 8.290 nan 0.000 0.510 143 D N 1.158 121.586 120.400 0.048 0.000 2.384 143 D HA 0.624 5.263 4.640 -0.000 0.000 0.244 143 D C 0.690 177.044 176.300 0.089 0.000 1.251 143 D CA 0.997 55.039 54.000 0.070 0.000 0.961 143 D CB 1.284 42.142 40.800 0.095 0.000 1.116 143 D HN 0.888 nan 8.370 nan 0.000 0.484 144 A N 0.031 122.918 122.820 0.112 0.000 2.479 144 A HA 0.681 5.001 4.320 -0.000 0.000 0.296 144 A C -1.499 176.216 177.584 0.219 0.000 1.121 144 A CA -0.557 51.562 52.037 0.137 0.000 0.743 144 A CB 1.350 20.395 19.000 0.076 0.000 1.323 144 A HN 0.360 nan 8.150 nan 0.000 0.415 145 F N -0.125 119.808 119.950 -0.028 0.000 2.563 145 F HA 0.592 5.119 4.527 -0.000 0.000 0.316 145 F C -0.308 175.476 175.800 -0.026 0.000 1.076 145 F CA -0.574 57.407 58.000 -0.032 0.000 0.921 145 F CB 2.039 40.978 39.000 -0.101 0.000 1.209 145 F HN 0.452 nan 8.300 nan 0.000 0.462 146 L N 4.033 125.298 121.223 0.070 0.000 2.312 146 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 146 L C -0.994 175.920 176.870 0.072 0.000 1.070 146 L CA -0.826 54.060 54.840 0.076 0.000 0.805 146 L CB 1.190 43.299 42.059 0.083 0.000 1.174 146 L HN 0.246 nan 8.230 nan 0.000 0.434 147 V N 2.973 122.908 119.914 0.036 0.000 2.525 147 V HA 0.379 4.499 4.120 -0.000 0.000 0.299 147 V C -2.412 173.729 176.094 0.078 0.000 1.034 147 V CA -1.958 60.338 62.300 -0.007 0.000 0.863 147 V CB 1.608 33.278 31.823 -0.255 0.000 0.999 147 V HN 0.567 nan 8.190 nan 0.000 0.423 148 P HA 0.343 nan 4.420 nan 0.000 0.272 148 P C -0.363 177.074 177.300 0.228 0.000 1.230 148 P CA 0.102 63.287 63.100 0.141 0.000 0.788 148 P CB 0.803 32.568 31.700 0.107 0.000 0.949 149 S N 0.752 116.575 115.700 0.206 0.000 2.599 149 S HA 0.710 5.180 4.470 -0.000 0.000 0.287 149 S C -2.952 171.673 174.600 0.041 0.000 1.105 149 S CA -1.983 56.346 58.200 0.215 0.000 0.899 149 S CB 1.567 64.922 63.200 0.258 0.000 1.100 149 S HN 0.185 nan 8.310 nan 0.000 0.482 150 P HA 0.210 nan 4.420 nan 0.000 0.268 150 P C -1.193 176.063 177.300 -0.072 0.000 1.205 150 P CA 0.131 63.123 63.100 -0.180 0.000 0.771 150 P CB -0.151 31.282 31.700 -0.444 0.000 0.858 151 Y N 0.820 121.123 120.300 0.006 0.000 2.634 151 Y HA 0.487 5.037 4.550 -0.000 0.000 0.340 151 Y C -0.686 175.251 175.900 0.063 0.000 1.058 151 Y CA -2.224 55.906 58.100 0.049 0.000 1.081 151 Y CB 0.203 38.761 38.460 0.162 0.000 1.295 151 Y HN 0.228 nan 8.280 nan 0.000 0.487 152 Y N 6.138 126.469 120.300 0.052 0.000 2.802 152 Y HA 0.175 4.724 4.550 -0.000 0.000 0.351 152 Y C -1.487 174.304 175.900 -0.182 0.000 1.237 152 Y CA -2.714 55.238 58.100 -0.247 0.000 1.599 152 Y CB 0.420 38.451 38.460 -0.713 0.000 1.214 152 Y HN 0.533 nan 8.280 nan 0.000 0.520 153 P HA -0.293 nan 4.420 nan 0.000 0.217 153 P C 1.085 178.067 177.300 -0.531 0.000 1.148 153 P CA 2.197 64.924 63.100 -0.622 0.000 0.828 153 P CB 0.025 31.223 31.700 -0.837 0.000 0.783 154 A N -0.807 121.417 122.820 -0.993 0.000 2.070 154 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 154 A C 2.000 179.518 177.584 -0.110 0.000 1.159 154 A CA 0.970 52.654 52.037 -0.587 0.000 0.656 154 A CB -1.568 17.010 19.000 -0.703 0.000 0.800 154 A HN -0.006 nan 8.150 nan 0.000 0.453 155 F N 1.304 121.165 119.950 -0.148 0.000 2.120 155 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 155 F C 2.099 177.881 175.800 -0.030 0.000 1.095 155 F CA 1.180 59.179 58.000 -0.001 0.000 1.249 155 F CB -0.994 38.016 39.000 0.017 0.000 0.995 155 F HN 0.316 nan 8.300 nan 0.000 0.480 156 N N -0.122 118.704 118.700 0.210 0.000 2.417 156 N HA -0.196 4.544 4.740 -0.000 0.000 0.187 156 N C 2.076 177.599 175.510 0.022 0.000 1.027 156 N CA 0.905 54.014 53.050 0.099 0.000 0.891 156 N CB -0.201 38.327 38.487 0.067 0.000 0.956 156 N HN 0.414 nan 8.380 nan 0.000 0.442 157 R N 0.588 121.099 120.500 0.018 0.000 2.098 157 R HA 0.004 4.344 4.340 -0.000 0.000 0.203 157 R C 0.903 177.274 176.300 0.118 0.000 1.166 157 R CA 0.399 56.514 56.100 0.025 0.000 1.090 157 R CB 0.049 30.322 30.300 -0.046 0.000 0.992 157 R HN -0.141 nan 8.270 nan 0.000 0.477 158 D N 1.390 121.857 120.400 0.112 0.000 2.133 158 D HA -0.202 4.437 4.640 -0.000 0.000 0.192 158 D C 1.833 178.125 176.300 -0.013 0.000 1.001 158 D CA 1.659 55.723 54.000 0.106 0.000 0.844 158 D CB -0.123 40.798 40.800 0.201 0.000 0.944 158 D HN 0.292 nan 8.370 nan 0.000 0.447 159 L N -0.757 120.428 121.223 -0.064 0.000 2.375 159 L HA 0.165 4.505 4.340 -0.000 0.000 0.215 159 L C 2.017 178.763 176.870 -0.207 0.000 1.108 159 L CA 0.571 55.273 54.840 -0.231 0.000 0.830 159 L CB -0.013 41.830 42.059 -0.361 0.000 0.959 159 L HN -0.045 nan 8.230 nan 0.000 0.457 160 R N -2.080 118.369 120.500 -0.084 0.000 2.310 160 R HA -0.001 4.339 4.340 -0.000 0.000 0.199 160 R C 1.705 178.040 176.300 0.058 0.000 0.891 160 R CA -0.154 55.921 56.100 -0.043 0.000 1.060 160 R CB -0.320 29.976 30.300 -0.007 0.000 1.188 160 R HN 0.134 nan 8.270 nan 0.000 0.607 161 W N 3.247 124.479 121.300 -0.113 0.000 2.104 161 W HA -0.196 4.464 4.660 0.000 0.000 0.318 161 W C 1.448 177.910 176.519 -0.095 0.000 1.192 161 W CA 1.497 58.791 57.345 -0.085 0.000 1.077 161 W CB -0.498 28.924 29.460 -0.063 0.000 1.131 161 W HN -0.125 nan 8.180 nan 0.000 0.483 162 R N -0.152 120.249 120.500 -0.166 0.000 2.328 162 R HA -0.009 4.331 4.340 -0.000 0.000 0.200 162 R C 1.607 177.778 176.300 -0.216 0.000 0.983 162 R CA 1.264 57.198 56.100 -0.276 0.000 1.062 162 R CB -0.618 29.520 30.300 -0.271 0.000 0.956 162 R HN 0.403 nan 8.270 nan 0.000 0.479 163 T N -4.421 109.939 114.554 -0.325 0.000 2.990 163 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 163 T C 1.469 176.071 174.700 -0.163 0.000 1.041 163 T CA 0.435 62.268 62.100 -0.445 0.000 1.010 163 T CB 0.751 69.212 68.868 -0.679 0.000 1.003 163 T HN 0.275 nan 8.240 nan 0.000 0.499 164 G N 1.165 109.916 108.800 -0.082 0.000 2.168 164 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.257 164 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.257 164 G C 0.054 174.935 174.900 -0.031 0.000 0.997 164 G CA 0.250 45.336 45.100 -0.024 0.000 0.708 164 G HN 0.726 nan 8.290 nan 0.000 0.520 165 V N 1.120 120.990 119.914 -0.073 0.000 2.617 165 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 165 V C 0.579 176.653 176.094 -0.033 0.000 1.048 165 V CA -0.089 62.177 62.300 -0.057 0.000 0.964 165 V CB 1.777 33.522 31.823 -0.131 0.000 1.004 165 V HN 0.664 nan 8.190 nan 0.000 0.466 166 Q N 3.622 123.426 119.800 0.006 0.000 2.301 166 Q HA 0.777 5.117 4.340 -0.000 0.000 0.267 166 Q C -1.552 174.464 176.000 0.028 0.000 1.035 166 Q CA -0.884 54.928 55.803 0.016 0.000 0.856 166 Q CB 2.319 31.075 28.738 0.030 0.000 1.337 166 Q HN 0.559 nan 8.270 nan 0.000 0.450 167 L N 2.440 123.672 121.223 0.015 0.000 2.317 167 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 167 L C -0.530 176.365 176.870 0.041 0.000 1.024 167 L CA -0.937 53.905 54.840 0.004 0.000 0.810 167 L CB 1.430 43.447 42.059 -0.069 0.000 1.240 167 L HN 0.634 nan 8.230 nan 0.000 0.427 168 I N 4.955 125.556 120.570 0.051 0.000 2.382 168 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 168 I C -2.098 174.071 176.117 0.087 0.000 1.007 168 I CA -1.939 59.404 61.300 0.072 0.000 1.142 168 I CB 2.157 40.200 38.000 0.071 0.000 1.289 168 I HN 0.318 nan 8.210 nan 0.000 0.453 169 P HA 0.203 nan 4.420 nan 0.000 0.271 169 P C -0.718 176.674 177.300 0.153 0.000 1.218 169 P CA 0.129 63.335 63.100 0.176 0.000 0.780 169 P CB 1.408 33.241 31.700 0.222 0.000 0.901 170 I N 2.241 122.908 120.570 0.161 0.000 2.406 170 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 170 I C 0.829 177.048 176.117 0.171 0.000 0.999 170 I CA -1.016 60.370 61.300 0.144 0.000 1.124 170 I CB 1.063 39.126 38.000 0.105 0.000 1.289 170 I HN 0.458 nan 8.210 nan 0.000 0.441 171 H N 5.629 124.752 119.070 0.088 0.000 3.034 171 H HA 0.182 4.738 4.556 -0.000 0.000 0.324 171 H C -1.178 174.207 175.328 0.094 0.000 1.015 171 H CA 0.426 56.531 56.048 0.095 0.000 1.429 171 H CB 0.484 30.287 29.762 0.068 0.000 1.429 171 H HN 0.569 nan 8.280 nan 0.000 0.585 172 C N 5.296 124.275 119.300 -0.536 0.000 2.701 172 C HA 0.377 4.837 4.460 -0.000 0.000 0.336 172 C C -0.836 173.897 174.990 -0.429 0.000 1.123 172 C CA -0.761 58.050 59.018 -0.346 0.000 1.326 172 C CB 1.066 28.849 27.740 0.072 0.000 1.833 172 C HN 0.992 nan 8.230 nan 0.000 0.473 173 E N 0.338 120.180 120.200 -0.597 0.000 2.404 173 E HA 0.534 4.883 4.350 -0.000 0.000 0.264 173 E C 0.362 176.116 176.600 -1.410 0.000 0.946 173 E CA -0.599 55.378 56.400 -0.705 0.000 0.806 173 E CB 0.871 30.414 29.700 -0.262 0.000 1.334 173 E HN 0.536 nan 8.360 nan 0.000 0.429 174 S N -0.530 114.506 115.700 -1.107 0.000 2.528 174 S HA -0.113 4.357 4.470 -0.000 0.000 0.219 174 S C 1.706 176.143 174.600 -0.272 0.000 0.985 174 S CA 0.541 58.261 58.200 -0.800 0.000 0.914 174 S CB -0.464 62.763 63.200 0.044 0.000 0.776 174 S HN 0.504 nan 8.310 nan 0.000 0.526 175 S N 3.294 118.872 115.700 -0.204 0.000 2.419 175 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 175 S C 1.258 175.807 174.600 -0.085 0.000 1.019 175 S CA 1.070 59.222 58.200 -0.081 0.000 0.982 175 S CB -0.759 62.415 63.200 -0.043 0.000 0.789 175 S HN 0.810 nan 8.310 nan 0.000 0.490 176 N N 0.765 119.374 118.700 -0.153 0.000 2.416 176 N HA 0.130 4.870 4.740 -0.000 0.000 0.267 176 N C -0.730 174.717 175.510 -0.105 0.000 1.294 176 N CA -0.308 52.681 53.050 -0.101 0.000 0.891 176 N CB -0.579 37.860 38.487 -0.080 0.000 1.238 176 N HN 0.209 nan 8.380 nan 0.000 0.508 177 N N 0.894 119.520 118.700 -0.123 0.000 2.735 177 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 177 N C -0.877 174.642 175.510 0.015 0.000 1.083 177 N CA 0.716 53.749 53.050 -0.029 0.000 0.703 177 N CB -1.756 36.756 38.487 0.041 0.000 1.005 177 N HN 0.455 nan 8.380 nan 0.000 0.550 178 F N -1.858 118.028 119.950 -0.106 0.000 3.067 178 F HA -0.288 4.238 4.527 -0.000 0.000 0.279 178 F C 0.944 176.666 175.800 -0.130 0.000 0.945 178 F CA 0.985 58.889 58.000 -0.160 0.000 0.948 178 F CB -1.139 37.703 39.000 -0.264 0.000 0.898 178 F HN 0.081 nan 8.300 nan 0.000 0.746 179 K N 0.448 120.845 120.400 -0.006 0.000 2.098 179 K HA 0.593 4.913 4.320 -0.000 0.000 0.261 179 K C 0.355 176.950 176.600 -0.008 0.000 0.987 179 K CA -0.843 55.443 56.287 -0.002 0.000 0.916 179 K CB 1.343 33.835 32.500 -0.012 0.000 1.039 179 K HN 0.108 nan 8.250 nan 0.000 0.455 180 I N 2.545 123.117 120.570 0.003 0.000 2.301 180 I HA 0.010 4.179 4.170 -0.000 0.000 0.292 180 I C 0.758 176.870 176.117 -0.009 0.000 1.046 180 I CA -0.224 61.078 61.300 0.004 0.000 1.282 180 I CB 0.968 38.980 38.000 0.020 0.000 1.409 180 I HN 0.557 nan 8.210 nan 0.000 0.484 181 T N 1.083 115.627 114.554 -0.017 0.000 2.837 181 T HA 0.201 4.551 4.350 -0.000 0.000 0.285 181 T C 1.048 175.713 174.700 -0.059 0.000 0.984 181 T CA -0.709 61.374 62.100 -0.029 0.000 1.049 181 T CB 1.713 70.569 68.868 -0.020 0.000 0.947 181 T HN 0.468 nan 8.240 nan 0.000 0.472 182 S N 1.606 117.261 115.700 -0.075 0.000 2.420 182 S HA -0.121 4.349 4.470 -0.000 0.000 0.237 182 S C 1.854 176.340 174.600 -0.189 0.000 1.023 182 S CA 1.453 59.568 58.200 -0.142 0.000 0.991 182 S CB -0.394 62.741 63.200 -0.108 0.000 0.792 182 S HN 0.886 nan 8.310 nan 0.000 0.488 183 K N 1.370 121.703 120.400 -0.111 0.000 2.031 183 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 183 K C 2.192 178.736 176.600 -0.092 0.000 1.049 183 K CA 1.159 57.388 56.287 -0.096 0.000 0.939 183 K CB -0.407 32.066 32.500 -0.045 0.000 0.717 183 K HN 0.253 nan 8.250 nan 0.000 0.438 184 A N 0.814 123.603 122.820 -0.052 0.000 1.978 184 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 184 A C 2.176 179.732 177.584 -0.047 0.000 1.170 184 A CA 1.655 53.688 52.037 -0.006 0.000 0.636 184 A CB -0.527 18.497 19.000 0.040 0.000 0.810 184 A HN 0.201 nan 8.150 nan 0.000 0.448 185 V N -0.191 119.638 119.914 -0.141 0.000 2.323 185 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 185 V C 2.383 178.266 176.094 -0.352 0.000 1.041 185 V CA 2.141 64.310 62.300 -0.218 0.000 1.025 185 V CB -0.626 31.008 31.823 -0.315 0.000 0.656 185 V HN 0.520 nan 8.190 nan 0.000 0.451 186 K N 0.135 120.226 120.400 -0.515 0.000 2.063 186 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 186 K C 2.141 178.705 176.600 -0.060 0.000 1.048 186 K CA 1.848 57.884 56.287 -0.417 0.000 0.928 186 K CB -0.217 32.089 32.500 -0.323 0.000 0.713 186 K HN 0.591 nan 8.250 nan 0.000 0.442 187 E N 0.612 120.781 120.200 -0.051 0.000 2.058 187 E HA -0.222 4.127 4.350 -0.000 0.000 0.194 187 E C 2.107 178.731 176.600 0.040 0.000 0.997 187 E CA 1.271 57.675 56.400 0.007 0.000 0.801 187 E CB -0.204 29.497 29.700 0.002 0.000 0.746 187 E HN 0.338 nan 8.360 nan 0.000 0.450 188 A N 0.899 123.750 122.820 0.053 0.000 1.902 188 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 188 A C 2.069 179.721 177.584 0.114 0.000 1.181 188 A CA 1.434 53.519 52.037 0.080 0.000 0.623 188 A CB -0.773 18.283 19.000 0.092 0.000 0.818 188 A HN 0.379 nan 8.150 nan 0.000 0.443 189 Y N 1.079 121.397 120.300 0.031 0.000 2.070 189 Y HA -0.231 4.319 4.550 -0.000 0.000 0.280 189 Y C 2.269 178.210 175.900 0.069 0.000 1.148 189 Y CA 2.362 60.512 58.100 0.083 0.000 1.125 189 Y CB -0.443 38.151 38.460 0.224 0.000 0.975 189 Y HN 0.504 nan 8.280 nan 0.000 0.492 190 E N -0.441 119.774 120.200 0.024 0.000 2.106 190 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 190 E C 1.860 178.421 176.600 -0.064 0.000 0.984 190 E CA 1.128 57.491 56.400 -0.061 0.000 0.806 190 E CB -0.260 29.474 29.700 0.058 0.000 0.750 190 E HN 0.477 nan 8.360 nan 0.000 0.458 191 N N 1.006 119.694 118.700 -0.020 0.000 2.149 191 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 191 N C 1.649 177.139 175.510 -0.033 0.000 1.019 191 N CA 1.471 54.513 53.050 -0.014 0.000 0.857 191 N CB -0.245 38.247 38.487 0.009 0.000 0.997 191 N HN 0.191 nan 8.380 nan 0.000 0.426 192 A N 0.436 123.224 122.820 -0.053 0.000 1.930 192 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 192 A C 2.058 179.581 177.584 -0.101 0.000 1.175 192 A CA 1.098 53.098 52.037 -0.062 0.000 0.627 192 A CB -0.379 18.588 19.000 -0.055 0.000 0.815 192 A HN 0.303 nan 8.150 nan 0.000 0.443 193 Q N -0.440 119.256 119.800 -0.174 0.000 2.079 193 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 193 Q C 1.845 177.794 176.000 -0.086 0.000 0.974 193 Q CA 1.149 56.852 55.803 -0.166 0.000 0.840 193 Q CB -0.146 28.442 28.738 -0.249 0.000 0.898 193 Q HN 0.402 nan 8.270 nan 0.000 0.430 194 K N 0.491 120.853 120.400 -0.065 0.000 2.103 194 K HA -0.074 4.245 4.320 -0.000 0.000 0.207 194 K C 1.895 178.479 176.600 -0.026 0.000 1.048 194 K CA 1.135 57.401 56.287 -0.034 0.000 0.930 194 K CB -0.246 32.241 32.500 -0.022 0.000 0.716 194 K HN 0.075 nan 8.250 nan 0.000 0.444 195 S N 1.199 116.882 115.700 -0.028 0.000 2.603 195 S HA 0.017 4.487 4.470 -0.000 0.000 0.220 195 S C 0.168 174.757 174.600 -0.018 0.000 0.967 195 S CA -0.104 58.086 58.200 -0.017 0.000 0.920 195 S CB -0.189 63.004 63.200 -0.011 0.000 0.773 195 S HN 0.265 nan 8.310 nan 0.000 0.529 196 N N 0.766 119.448 118.700 -0.030 0.000 2.776 196 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 196 N C -0.804 174.692 175.510 -0.022 0.000 1.111 196 N CA 0.522 53.556 53.050 -0.027 0.000 0.711 196 N CB -1.484 36.995 38.487 -0.013 0.000 1.065 196 N HN 0.464 nan 8.380 nan 0.000 0.556 197 I N 0.967 121.518 120.570 -0.032 0.000 2.325 197 I HA 0.099 4.268 4.170 -0.000 0.000 0.291 197 I C 1.065 177.167 176.117 -0.026 0.000 1.019 197 I CA -0.381 60.908 61.300 -0.017 0.000 1.302 197 I CB 1.234 39.229 38.000 -0.009 0.000 1.401 197 I HN -0.116 nan 8.210 nan 0.000 0.485 198 K N 6.641 127.040 120.400 -0.001 0.000 2.262 198 K HA 0.262 4.582 4.320 -0.000 0.000 0.288 198 K C -0.827 175.787 176.600 0.024 0.000 1.090 198 K CA -0.376 55.916 56.287 0.008 0.000 0.918 198 K CB 0.513 33.028 32.500 0.025 0.000 1.139 198 K HN 0.412 nan 8.250 nan 0.000 0.462 199 V N 6.349 126.275 119.914 0.019 0.000 2.439 199 V HA 0.034 4.154 4.120 -0.000 0.000 0.271 199 V C 1.019 177.115 176.094 0.003 0.000 1.040 199 V CA 0.058 62.376 62.300 0.029 0.000 1.002 199 V CB 1.041 32.933 31.823 0.114 0.000 1.000 199 V HN 0.745 nan 8.190 nan 0.000 0.477 200 K N 3.349 123.703 120.400 -0.076 0.000 2.352 200 K HA 0.328 4.648 4.320 -0.000 0.000 0.194 200 K C 0.724 177.148 176.600 -0.294 0.000 1.038 200 K CA 0.614 56.865 56.287 -0.061 0.000 1.023 200 K CB 1.166 33.720 32.500 0.090 0.000 0.840 200 K HN 0.825 nan 8.250 nan 0.000 0.519 201 G N 0.502 108.791 108.800 -0.851 0.000 2.488 201 G HA2 0.433 4.393 3.960 -0.000 0.000 0.301 201 G HA3 0.433 4.393 3.960 -0.000 0.000 0.301 201 G C -2.166 172.158 174.900 -0.960 0.000 1.339 201 G CA -0.737 43.713 45.100 -1.083 0.000 0.803 201 G HN 0.037 nan 8.290 nan 0.000 0.482 202 L N 0.414 121.378 121.223 -0.432 0.000 2.436 202 L HA 0.839 5.179 4.340 -0.000 0.000 0.268 202 L C -1.314 175.652 176.870 0.159 0.000 0.974 202 L CA -1.088 53.717 54.840 -0.059 0.000 0.826 202 L CB 1.740 43.800 42.059 0.002 0.000 1.291 202 L HN 0.658 nan 8.230 nan 0.000 0.406 203 I N 5.599 126.313 120.570 0.240 0.000 2.382 203 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 203 I C -1.178 175.036 176.117 0.163 0.000 1.002 203 I CA -0.499 60.925 61.300 0.207 0.000 1.135 203 I CB 1.080 39.133 38.000 0.087 0.000 1.288 203 I HN 0.640 nan 8.210 nan 0.000 0.448 204 L N 6.135 127.472 121.223 0.189 0.000 2.387 204 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 204 L C -0.177 176.841 176.870 0.248 0.000 1.059 204 L CA -0.569 54.389 54.840 0.195 0.000 0.801 204 L CB 1.873 44.030 42.059 0.163 0.000 1.223 204 L HN 0.490 nan 8.230 nan 0.000 0.456 205 T N 1.220 115.911 114.554 0.228 0.000 2.890 205 T HA 0.376 4.726 4.350 -0.000 0.000 0.295 205 T C -0.979 173.826 174.700 0.174 0.000 0.993 205 T CA -0.613 61.624 62.100 0.228 0.000 0.979 205 T CB 0.847 69.839 68.868 0.207 0.000 0.967 205 T HN 0.502 nan 8.240 nan 0.000 0.441 206 N N 3.833 122.658 118.700 0.207 0.000 2.542 206 N HA 0.419 5.159 4.740 -0.000 0.000 0.288 206 N C -3.172 172.483 175.510 0.242 0.000 1.115 206 N CA -1.568 51.612 53.050 0.217 0.000 0.924 206 N CB 1.911 40.547 38.487 0.248 0.000 1.526 206 N HN 0.122 nan 8.380 nan 0.000 0.515 207 P HA 0.006 nan 4.420 nan 0.000 0.270 207 P C -0.617 176.697 177.300 0.024 0.000 1.221 207 P CA -0.084 63.028 63.100 0.021 0.000 0.788 207 P CB 0.514 32.153 31.700 -0.102 0.000 0.904 208 S N 1.771 117.441 115.700 -0.051 0.000 2.537 208 S HA 0.316 4.786 4.470 -0.000 0.000 0.275 208 S C -0.231 174.270 174.600 -0.165 0.000 1.272 208 S CA -0.441 57.708 58.200 -0.084 0.000 1.050 208 S CB -0.278 62.857 63.200 -0.108 0.000 0.961 208 S HN 0.362 nan 8.310 nan 0.000 0.496 209 N N 3.637 122.232 118.700 -0.175 0.000 2.354 209 N HA 0.484 5.224 4.740 -0.000 0.000 0.287 209 N C -2.033 173.245 175.510 -0.387 0.000 1.016 209 N CA -2.244 50.633 53.050 -0.288 0.000 0.871 209 N CB 2.151 40.545 38.487 -0.156 0.000 1.299 209 N HN 0.422 nan 8.380 nan 0.000 0.482 210 P HA 0.095 nan 4.420 nan 0.000 0.251 210 P C 1.086 177.897 177.300 -0.815 0.000 1.223 210 P CA 0.241 62.657 63.100 -1.139 0.000 0.796 210 P CB 0.594 31.281 31.700 -1.689 0.000 1.068 211 L N -0.384 120.354 121.223 -0.808 0.000 2.265 211 L HA 0.007 4.347 4.340 -0.000 0.000 0.215 211 L C 1.731 178.534 176.870 -0.112 0.000 1.117 211 L CA 1.160 55.654 54.840 -0.578 0.000 0.782 211 L CB -1.677 40.071 42.059 -0.519 0.000 0.914 211 L HN 0.093 nan 8.230 nan 0.000 0.441 212 G N 1.219 110.038 108.800 0.031 0.000 2.283 212 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.280 212 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.280 212 G C 0.332 175.172 174.900 -0.099 0.000 1.029 212 G CA 0.664 45.767 45.100 0.004 0.000 0.840 212 G HN 0.507 nan 8.290 nan 0.000 0.505 213 T N -2.208 112.285 114.554 -0.102 0.000 2.887 213 T HA 0.749 5.099 4.350 -0.000 0.000 0.288 213 T C 0.251 174.915 174.700 -0.061 0.000 1.021 213 T CA 0.359 62.408 62.100 -0.086 0.000 1.000 213 T CB 2.220 71.060 68.868 -0.047 0.000 1.034 213 T HN 1.177 nan 8.240 nan 0.000 0.467 214 T N 1.809 116.337 114.554 -0.043 0.000 2.909 214 T HA 0.565 4.915 4.350 -0.000 0.000 0.289 214 T C 0.264 174.992 174.700 0.047 0.000 1.005 214 T CA -1.010 61.120 62.100 0.049 0.000 1.084 214 T CB 0.298 69.221 68.868 0.091 0.000 0.975 214 T HN 0.652 nan 8.240 nan 0.000 0.509 215 L N 2.954 124.226 121.223 0.081 0.000 2.349 215 L HA 0.258 4.597 4.340 -0.000 0.000 0.275 215 L C 1.094 177.973 176.870 0.016 0.000 1.115 215 L CA -0.809 54.057 54.840 0.044 0.000 0.820 215 L CB 0.566 42.660 42.059 0.057 0.000 1.135 215 L HN 0.822 nan 8.230 nan 0.000 0.445 216 D N 4.076 124.479 120.400 0.005 0.000 2.520 216 D HA -0.115 4.525 4.640 -0.000 0.000 0.243 216 D C 0.974 177.263 176.300 -0.018 0.000 1.160 216 D CA 0.299 54.294 54.000 -0.008 0.000 0.877 216 D CB 0.934 41.731 40.800 -0.005 0.000 1.150 216 D HN 0.569 nan 8.370 nan 0.000 0.494 217 K N 3.808 124.188 120.400 -0.033 0.000 2.059 217 K HA -0.237 4.083 4.320 -0.000 0.000 0.212 217 K C 0.960 177.539 176.600 -0.035 0.000 1.050 217 K CA 1.667 57.926 56.287 -0.047 0.000 0.927 217 K CB 0.068 32.534 32.500 -0.056 0.000 0.714 217 K HN 0.493 nan 8.250 nan 0.000 0.447 218 D N -0.143 120.241 120.400 -0.027 0.000 2.178 218 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 218 D C 1.755 178.047 176.300 -0.015 0.000 0.980 218 D CA 1.405 55.393 54.000 -0.021 0.000 0.842 218 D CB -0.170 40.620 40.800 -0.017 0.000 0.948 218 D HN 0.353 nan 8.370 nan 0.000 0.472 219 T N 1.160 115.707 114.554 -0.011 0.000 2.777 219 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 219 T C 2.278 176.979 174.700 0.001 0.000 1.040 219 T CA 0.425 62.523 62.100 -0.003 0.000 1.141 219 T CB -0.128 68.741 68.868 0.001 0.000 0.868 219 T HN 0.115 nan 8.240 nan 0.000 0.444 220 L N 0.547 121.768 121.223 -0.004 0.000 2.017 220 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 220 L C 2.675 179.539 176.870 -0.010 0.000 1.073 220 L CA 1.381 56.220 54.840 -0.003 0.000 0.745 220 L CB -0.425 41.622 42.059 -0.020 0.000 0.894 220 L HN 0.164 nan 8.230 nan 0.000 0.432 221 K N -0.505 119.882 120.400 -0.022 0.000 2.211 221 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 221 K C 2.187 178.785 176.600 -0.005 0.000 1.047 221 K CA 1.519 57.791 56.287 -0.024 0.000 0.935 221 K CB -0.092 32.390 32.500 -0.030 0.000 0.728 221 K HN 0.273 nan 8.250 nan 0.000 0.452 222 S N 0.492 116.195 115.700 0.005 0.000 2.336 222 S HA -0.071 4.399 4.470 -0.000 0.000 0.216 222 S C 2.103 176.734 174.600 0.052 0.000 1.032 222 S CA 0.788 59.001 58.200 0.022 0.000 0.973 222 S CB -0.189 63.015 63.200 0.007 0.000 0.888 222 S HN 0.006 nan 8.310 nan 0.000 0.455 223 V N 2.328 122.269 119.914 0.045 0.000 2.380 223 V HA -0.168 3.952 4.120 -0.000 0.000 0.251 223 V C 2.280 178.418 176.094 0.073 0.000 1.063 223 V CA 1.588 63.935 62.300 0.078 0.000 1.055 223 V CB -0.666 31.193 31.823 0.060 0.000 0.657 223 V HN 0.338 nan 8.190 nan 0.000 0.455 224 L N -0.360 120.879 121.223 0.026 0.000 2.156 224 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 224 L C 2.433 179.293 176.870 -0.017 0.000 1.095 224 L CA 1.891 56.723 54.840 -0.014 0.000 0.770 224 L CB -0.593 41.440 42.059 -0.044 0.000 0.914 224 L HN 0.263 nan 8.230 nan 0.000 0.439 225 S N -0.469 115.242 115.700 0.018 0.000 2.338 225 S HA -0.186 4.284 4.470 -0.000 0.000 0.218 225 S C 1.795 176.429 174.600 0.057 0.000 1.032 225 S CA 1.531 59.749 58.200 0.029 0.000 0.999 225 S CB -0.726 62.503 63.200 0.049 0.000 0.905 225 S HN 0.557 nan 8.310 nan 0.000 0.439 226 F N 2.546 122.473 119.950 -0.038 0.000 2.120 226 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 226 F C 2.456 178.208 175.800 -0.079 0.000 1.095 226 F CA 1.720 59.689 58.000 -0.052 0.000 1.249 226 F CB -1.135 37.777 39.000 -0.147 0.000 0.995 226 F HN 0.106 nan 8.300 nan 0.000 0.480 227 T N 0.659 115.075 114.554 -0.229 0.000 2.652 227 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 227 T C 2.048 176.577 174.700 -0.286 0.000 1.039 227 T CA 1.706 63.608 62.100 -0.329 0.000 1.153 227 T CB -0.596 68.194 68.868 -0.131 0.000 0.863 227 T HN 0.456 nan 8.240 nan 0.000 0.428 228 N N 0.579 119.176 118.700 -0.173 0.000 2.244 228 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 228 N C 1.899 177.322 175.510 -0.146 0.000 1.016 228 N CA 0.882 53.844 53.050 -0.147 0.000 0.866 228 N CB -0.140 38.286 38.487 -0.101 0.000 0.980 228 N HN 0.471 nan 8.380 nan 0.000 0.430 229 Q N -0.639 119.082 119.800 -0.130 0.000 2.488 229 Q HA -0.073 4.267 4.340 -0.000 0.000 0.211 229 Q C 0.218 176.028 176.000 -0.316 0.000 0.967 229 Q CA 0.762 56.479 55.803 -0.144 0.000 0.926 229 Q CB 0.123 28.837 28.738 -0.039 0.000 0.992 229 Q HN 0.583 nan 8.270 nan 0.000 0.506 230 H N -0.957 117.867 119.070 -0.410 0.000 2.916 230 H HA 0.090 4.646 4.556 -0.000 0.000 0.262 230 H C -0.112 175.055 175.328 -0.268 0.000 1.178 230 H CA -0.156 55.659 56.048 -0.387 0.000 1.090 230 H CB 0.504 29.813 29.762 -0.755 0.000 1.657 230 H HN 0.308 nan 8.280 nan 0.000 0.601 231 N N 1.813 120.416 118.700 -0.161 0.000 2.721 231 N HA -0.162 4.577 4.740 -0.000 0.000 0.249 231 N C -0.326 175.066 175.510 -0.196 0.000 1.072 231 N CA 0.470 53.423 53.050 -0.162 0.000 0.710 231 N CB -1.227 37.197 38.487 -0.105 0.000 0.993 231 N HN 0.549 nan 8.380 nan 0.000 0.547 232 I N -2.063 118.361 120.570 -0.243 0.000 2.648 232 I HA 0.467 4.637 4.170 -0.000 0.000 0.304 232 I C 0.181 176.128 176.117 -0.282 0.000 1.009 232 I CA -0.999 60.160 61.300 -0.234 0.000 1.114 232 I CB 1.193 39.060 38.000 -0.221 0.000 1.293 232 I HN -0.060 nan 8.210 nan 0.000 0.449 233 H N 3.689 122.703 119.070 -0.093 0.000 2.629 233 H HA 0.465 5.021 4.556 -0.000 0.000 0.357 233 H C -0.652 174.696 175.328 0.034 0.000 1.121 233 H CA -0.256 55.827 56.048 0.058 0.000 1.406 233 H CB 1.187 31.082 29.762 0.222 0.000 1.456 233 H HN 0.492 nan 8.280 nan 0.000 0.579 234 L N 3.772 125.141 121.223 0.244 0.000 2.318 234 L HA 0.370 4.710 4.340 -0.000 0.000 0.277 234 L C -1.319 175.755 176.870 0.340 0.000 1.008 234 L CA -0.518 54.438 54.840 0.194 0.000 0.846 234 L CB 0.685 42.792 42.059 0.080 0.000 1.220 234 L HN 0.410 nan 8.230 nan 0.000 0.423 235 V N 4.205 124.336 119.914 0.360 0.000 2.427 235 V HA 0.448 4.568 4.120 -0.000 0.000 0.286 235 V C -0.246 176.014 176.094 0.277 0.000 1.034 235 V CA -0.445 62.070 62.300 0.357 0.000 0.893 235 V CB 1.380 33.384 31.823 0.302 0.000 0.982 235 V HN 0.856 nan 8.190 nan 0.000 0.452 236 C N 3.341 122.812 119.300 0.286 0.000 2.340 236 C HA 0.376 4.836 4.460 -0.000 0.000 0.323 236 C C 0.068 175.228 174.990 0.283 0.000 1.260 236 C CA -0.862 58.317 59.018 0.269 0.000 1.464 236 C CB 0.674 28.573 27.740 0.266 0.000 2.156 236 C HN 0.828 nan 8.230 nan 0.000 0.476 237 D N 2.554 123.120 120.400 0.277 0.000 2.441 237 D HA 0.122 4.762 4.640 -0.000 0.000 0.221 237 D C 0.395 176.848 176.300 0.255 0.000 1.156 237 D CA 0.202 54.364 54.000 0.270 0.000 0.896 237 D CB 0.684 41.672 40.800 0.313 0.000 1.028 237 D HN 0.652 nan 8.370 nan 0.000 0.509 238 E N 3.172 123.538 120.200 0.277 0.000 2.411 238 E HA 0.082 4.432 4.350 -0.000 0.000 0.204 238 E C 1.626 178.360 176.600 0.224 0.000 1.059 238 E CA -0.269 56.280 56.400 0.249 0.000 1.112 238 E CB 0.742 30.644 29.700 0.337 0.000 1.168 238 E HN 0.542 nan 8.360 nan 0.000 0.445 239 I N 0.173 120.822 120.570 0.133 0.000 2.657 239 I HA -0.273 3.896 4.170 -0.000 0.000 0.261 239 I C 0.561 176.505 176.117 -0.289 0.000 1.212 239 I CA 1.319 62.550 61.300 -0.115 0.000 1.453 239 I CB 0.156 37.975 38.000 -0.301 0.000 1.092 239 I HN 0.213 nan 8.210 nan 0.000 0.452 240 Y N -0.118 120.139 120.300 -0.073 0.000 2.555 240 Y HA 0.353 4.902 4.550 -0.000 0.000 0.259 240 Y C 2.027 177.754 175.900 -0.289 0.000 1.179 240 Y CA 0.243 58.258 58.100 -0.142 0.000 1.230 240 Y CB -0.205 38.175 38.460 -0.134 0.000 1.146 240 Y HN 0.130 nan 8.280 nan 0.000 0.526 241 A N 0.866 123.511 122.820 -0.292 0.000 1.903 241 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 241 A C 2.023 179.352 177.584 -0.426 0.000 1.191 241 A CA 1.979 53.541 52.037 -0.793 0.000 0.638 241 A CB -0.816 17.834 19.000 -0.584 0.000 0.823 241 A HN 0.342 nan 8.150 nan 0.000 0.451 242 A N -0.420 122.315 122.820 -0.141 0.000 2.988 242 A HA 0.448 4.768 4.320 -0.000 0.000 0.288 242 A C 1.045 178.632 177.584 0.005 0.000 1.385 242 A CA 0.782 52.788 52.037 -0.052 0.000 1.001 242 A CB -0.856 18.157 19.000 0.021 0.000 1.071 242 A HN 0.769 nan 8.150 nan 0.000 0.608 243 T N -3.775 110.759 114.554 -0.032 0.000 3.209 243 T HA 0.289 4.639 4.350 -0.000 0.000 0.295 243 T C 0.023 174.693 174.700 -0.050 0.000 0.977 243 T CA -0.040 62.074 62.100 0.024 0.000 0.922 243 T CB -0.458 68.461 68.868 0.085 0.000 1.152 243 T HN -0.020 nan 8.240 nan 0.000 0.527 244 V N 3.503 123.335 119.914 -0.136 0.000 2.572 244 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 244 V C 0.683 176.667 176.094 -0.183 0.000 1.039 244 V CA -0.196 61.940 62.300 -0.273 0.000 1.055 244 V CB -0.527 31.200 31.823 -0.160 0.000 0.969 244 V HN 0.669 nan 8.190 nan 0.000 0.482 245 F N 0.449 120.358 119.950 -0.067 0.000 2.772 245 F HA 0.651 5.178 4.527 -0.000 0.000 0.316 245 F C 0.014 175.778 175.800 -0.059 0.000 1.114 245 F CA -0.757 57.207 58.000 -0.061 0.000 1.191 245 F CB 0.208 39.168 39.000 -0.067 0.000 1.065 245 F HN 0.449 nan 8.300 nan 0.000 0.534 246 D N 0.139 120.461 120.400 -0.129 0.000 2.671 246 D HA 0.192 4.832 4.640 -0.000 0.000 0.273 246 D C -0.811 175.434 176.300 -0.092 0.000 1.264 246 D CA 0.003 53.987 54.000 -0.026 0.000 0.788 246 D CB 2.470 43.302 40.800 0.054 0.000 1.324 246 D HN 0.054 nan 8.370 nan 0.000 0.424 247 T N -0.813 113.721 114.554 -0.035 0.000 2.828 247 T HA 0.574 4.924 4.350 -0.000 0.000 0.290 247 T C -2.193 172.480 174.700 -0.046 0.000 1.019 247 T CA -0.860 61.221 62.100 -0.033 0.000 1.031 247 T CB 0.996 69.859 68.868 -0.009 0.000 1.001 247 T HN 0.083 nan 8.240 nan 0.000 0.531 248 P HA 0.180 nan 4.420 nan 0.000 0.296 248 P C -0.251 177.035 177.300 -0.023 0.000 1.295 248 P CA -0.622 62.464 63.100 -0.024 0.000 0.754 248 P CB 0.318 32.007 31.700 -0.019 0.000 1.311 249 Q N -0.776 119.017 119.800 -0.012 0.000 2.221 249 Q HA 0.351 4.691 4.340 -0.000 0.000 0.242 249 Q C -0.945 175.083 176.000 0.045 0.000 0.940 249 Q CA -0.805 55.003 55.803 0.008 0.000 0.896 249 Q CB 0.400 29.131 28.738 -0.010 0.000 1.226 249 Q HN 0.254 nan 8.270 nan 0.000 0.463 250 F N 2.652 122.566 119.950 -0.061 0.000 2.467 250 F HA 0.322 4.848 4.527 -0.000 0.000 0.362 250 F C -1.153 174.628 175.800 -0.031 0.000 1.090 250 F CA -0.429 57.542 58.000 -0.049 0.000 1.202 250 F CB 0.595 39.565 39.000 -0.050 0.000 1.113 250 F HN 0.149 nan 8.300 nan 0.000 0.541 251 V N 6.598 126.079 119.914 -0.722 0.000 2.328 251 V HA 0.243 4.363 4.120 -0.000 0.000 0.278 251 V C 0.145 175.686 176.094 -0.921 0.000 1.021 251 V CA -0.665 61.232 62.300 -0.670 0.000 0.838 251 V CB 0.790 32.439 31.823 -0.290 0.000 0.999 251 V HN 0.899 nan 8.190 nan 0.000 0.447 252 S N 3.482 118.641 115.700 -0.903 0.000 2.580 252 S HA 0.250 4.720 4.470 -0.000 0.000 0.274 252 S C 1.132 175.640 174.600 -0.154 0.000 1.329 252 S CA -0.470 57.461 58.200 -0.450 0.000 1.036 252 S CB 0.780 63.904 63.200 -0.127 0.000 0.919 252 S HN 0.626 nan 8.310 nan 0.000 0.515 253 I N 4.895 125.461 120.570 -0.007 0.000 2.361 253 I HA -0.038 4.132 4.170 -0.000 0.000 0.251 253 I C 2.227 178.304 176.117 -0.066 0.000 1.133 253 I CA 1.923 63.211 61.300 -0.020 0.000 1.413 253 I CB -0.943 37.085 38.000 0.046 0.000 1.073 253 I HN 0.813 nan 8.210 nan 0.000 0.424 254 A N -0.195 122.657 122.820 0.053 0.000 1.940 254 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 254 A C 2.200 179.746 177.584 -0.064 0.000 1.176 254 A CA 1.961 54.029 52.037 0.052 0.000 0.631 254 A CB -0.719 18.392 19.000 0.184 0.000 0.814 254 A HN 0.597 nan 8.150 nan 0.000 0.446 255 E N -0.287 119.873 120.200 -0.065 0.000 2.106 255 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 255 E C 1.809 178.341 176.600 -0.113 0.000 0.984 255 E CA 0.955 57.301 56.400 -0.090 0.000 0.806 255 E CB -0.195 29.438 29.700 -0.112 0.000 0.750 255 E HN 0.568 nan 8.360 nan 0.000 0.458 256 I N 1.075 121.568 120.570 -0.128 0.000 2.286 256 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 256 I C 2.262 178.284 176.117 -0.158 0.000 1.115 256 I CA 1.210 62.432 61.300 -0.130 0.000 1.392 256 I CB -0.820 37.108 38.000 -0.121 0.000 1.065 256 I HN 0.195 nan 8.210 nan 0.000 0.418 257 L N 0.299 121.392 121.223 -0.216 0.000 2.456 257 L HA -0.161 4.179 4.340 -0.000 0.000 0.224 257 L C 1.440 178.198 176.870 -0.187 0.000 1.148 257 L CA 0.844 55.525 54.840 -0.264 0.000 0.825 257 L CB -0.414 41.361 42.059 -0.474 0.000 0.937 257 L HN 0.224 nan 8.230 nan 0.000 0.450 258 D N -0.389 119.926 120.400 -0.143 0.000 2.360 258 D HA 0.038 4.677 4.640 -0.000 0.000 0.210 258 D C 0.473 176.711 176.300 -0.104 0.000 1.047 258 D CA 0.233 54.167 54.000 -0.109 0.000 0.854 258 D CB 0.364 41.115 40.800 -0.083 0.000 0.936 258 D HN 0.433 nan 8.370 nan 0.000 0.514 259 E N 0.783 120.917 120.200 -0.110 0.000 2.343 259 E HA 0.049 4.399 4.350 -0.000 0.000 0.269 259 E C 0.959 177.490 176.600 -0.115 0.000 1.047 259 E CA -0.285 56.056 56.400 -0.098 0.000 0.874 259 E CB 1.280 30.927 29.700 -0.088 0.000 1.033 259 E HN -0.134 nan 8.360 nan 0.000 0.409 260 Q N 2.511 122.249 119.800 -0.103 0.000 2.096 260 Q HA -0.266 4.073 4.340 -0.000 0.000 0.204 260 Q C 1.650 177.570 176.000 -0.133 0.000 0.982 260 Q CA 2.031 57.761 55.803 -0.121 0.000 0.850 260 Q CB -0.122 28.565 28.738 -0.085 0.000 0.901 260 Q HN 0.698 nan 8.270 nan 0.000 0.422 261 E N -1.071 119.073 120.200 -0.093 0.000 2.463 261 E HA -0.117 4.233 4.350 -0.000 0.000 0.201 261 E C 0.216 176.765 176.600 -0.084 0.000 1.045 261 E CA 0.828 57.185 56.400 -0.071 0.000 0.872 261 E CB 0.070 29.740 29.700 -0.050 0.000 0.797 261 E HN 0.484 nan 8.360 nan 0.000 0.538 262 M N -0.568 118.955 119.600 -0.129 0.000 2.848 262 M HA 0.114 4.594 4.480 -0.000 0.000 0.420 262 M C 0.684 176.863 176.300 -0.202 0.000 1.304 262 M CA -0.031 55.190 55.300 -0.133 0.000 0.844 262 M CB 0.962 33.494 32.600 -0.113 0.000 1.451 262 M HN -0.109 nan 8.290 nan 0.000 0.511 263 T N -0.289 114.066 114.554 -0.331 0.000 2.788 263 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 263 T C 1.232 175.664 174.700 -0.447 0.000 1.044 263 T CA 1.667 63.498 62.100 -0.448 0.000 1.139 263 T CB -0.320 68.151 68.868 -0.661 0.000 0.867 263 T HN 0.474 nan 8.240 nan 0.000 0.454 264 Y N 0.120 120.386 120.300 -0.058 0.000 2.471 264 Y HA 0.249 4.799 4.550 -0.000 0.000 0.286 264 Y C 1.141 176.998 175.900 -0.071 0.000 1.188 264 Y CA -1.124 56.942 58.100 -0.058 0.000 1.286 264 Y CB -0.289 38.142 38.460 -0.049 0.000 1.072 264 Y HN 0.118 nan 8.280 nan 0.000 0.517 265 C N 2.233 121.521 119.300 -0.020 0.000 2.585 265 C HA 0.060 4.520 4.460 -0.000 0.000 0.406 265 C C 0.859 175.806 174.990 -0.071 0.000 1.312 265 C CA -0.896 58.090 59.018 -0.053 0.000 1.924 265 C CB -0.817 26.863 27.740 -0.100 0.000 2.578 265 C HN 0.387 nan 8.230 nan 0.000 0.580 266 N N 2.711 121.370 118.700 -0.068 0.000 2.416 266 N HA 0.028 4.768 4.740 -0.000 0.000 0.265 266 N C 0.884 176.331 175.510 -0.104 0.000 1.195 266 N CA 0.459 53.467 53.050 -0.070 0.000 0.943 266 N CB 0.374 38.820 38.487 -0.070 0.000 1.115 266 N HN 0.586 nan 8.380 nan 0.000 0.481 267 K N 1.950 122.295 120.400 -0.093 0.000 2.555 267 K HA -0.048 4.272 4.320 -0.000 0.000 0.193 267 K C 0.037 176.606 176.600 -0.052 0.000 1.032 267 K CA 0.395 56.617 56.287 -0.109 0.000 1.004 267 K CB 0.387 32.858 32.500 -0.049 0.000 0.804 267 K HN 0.524 nan 8.250 nan 0.000 0.496 268 D N 0.664 121.042 120.400 -0.036 0.000 2.224 268 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 268 D C 1.242 177.561 176.300 0.031 0.000 0.965 268 D CA 0.898 54.911 54.000 0.022 0.000 0.852 268 D CB 0.195 41.016 40.800 0.035 0.000 0.947 268 D HN 0.217 nan 8.370 nan 0.000 0.494 269 L N -0.201 120.963 121.223 -0.098 0.000 2.700 269 L HA 0.254 4.594 4.340 -0.000 0.000 0.234 269 L C -0.026 176.764 176.870 -0.133 0.000 1.156 269 L CA -0.151 54.620 54.840 -0.115 0.000 0.946 269 L CB 0.427 42.292 42.059 -0.323 0.000 1.216 269 L HN -0.284 nan 8.230 nan 0.000 0.493 270 V N 0.352 120.019 119.914 -0.412 0.000 2.495 270 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 270 V C -0.418 175.387 176.094 -0.481 0.000 1.031 270 V CA -0.477 61.621 62.300 -0.337 0.000 0.871 270 V CB 1.731 33.367 31.823 -0.312 0.000 0.988 270 V HN 0.236 nan 8.190 nan 0.000 0.432 271 H N 4.173 123.436 119.070 0.322 0.000 3.016 271 H HA 0.616 5.172 4.556 -0.000 0.000 0.362 271 H C -1.290 174.248 175.328 0.349 0.000 1.233 271 H CA -0.713 55.545 56.048 0.350 0.000 1.124 271 H CB 2.757 32.666 29.762 0.245 0.000 1.850 271 H HN 0.413 nan 8.280 nan 0.000 0.549 272 I N 1.816 122.677 120.570 0.486 0.000 2.498 272 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 272 I C -0.466 175.868 176.117 0.362 0.000 1.032 272 I CA -0.987 60.571 61.300 0.430 0.000 1.073 272 I CB 2.432 40.731 38.000 0.499 0.000 1.251 272 I HN 0.128 nan 8.210 nan 0.000 0.426 273 V N 6.623 126.726 119.914 0.316 0.000 2.417 273 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 273 V C -1.066 175.218 176.094 0.317 0.000 1.024 273 V CA -0.569 61.895 62.300 0.272 0.000 0.861 273 V CB 1.668 33.620 31.823 0.215 0.000 0.985 273 V HN 0.528 nan 8.190 nan 0.000 0.436 274 Y N 3.077 123.445 120.300 0.115 0.000 2.644 274 Y HA 0.813 5.363 4.550 -0.000 0.000 0.338 274 Y C -0.170 175.758 175.900 0.046 0.000 1.119 274 Y CA -0.512 57.624 58.100 0.061 0.000 1.060 274 Y CB 2.387 40.875 38.460 0.047 0.000 1.294 274 Y HN 0.667 nan 8.280 nan 0.000 0.472 275 S N 1.366 116.614 115.700 -0.752 0.000 2.615 275 S HA 0.440 4.910 4.470 -0.000 0.000 0.268 275 S C -1.161 173.005 174.600 -0.722 0.000 1.146 275 S CA -0.676 57.220 58.200 -0.508 0.000 0.818 275 S CB 0.668 63.707 63.200 -0.268 0.000 1.111 275 S HN 0.733 nan 8.310 nan 0.000 0.465 276 L N 2.079 123.103 121.223 -0.333 0.000 2.640 276 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 276 L C 1.961 178.730 176.870 -0.168 0.000 1.123 276 L CA 0.080 54.781 54.840 -0.231 0.000 0.900 276 L CB -0.124 41.868 42.059 -0.111 0.000 1.146 276 L HN 0.596 nan 8.230 nan 0.000 0.484 277 S N 0.385 115.981 115.700 -0.173 0.000 2.351 277 S HA -0.147 4.323 4.470 -0.000 0.000 0.220 277 S C 1.960 176.478 174.600 -0.137 0.000 1.035 277 S CA 1.298 59.420 58.200 -0.130 0.000 1.031 277 S CB 0.007 63.139 63.200 -0.115 0.000 0.928 277 S HN 0.311 nan 8.310 nan 0.000 0.433 278 K N 1.414 121.671 120.400 -0.239 0.000 2.007 278 K HA -0.026 4.293 4.320 -0.000 0.000 0.206 278 K C 0.171 176.720 176.600 -0.085 0.000 1.047 278 K CA 1.087 57.233 56.287 -0.236 0.000 0.937 278 K CB -0.840 31.254 32.500 -0.676 0.000 0.718 278 K HN 0.586 nan 8.250 nan 0.000 0.438 279 D N -0.223 120.133 120.400 -0.073 0.000 2.473 279 D HA 0.299 4.939 4.640 -0.000 0.000 0.226 279 D C 0.582 176.980 176.300 0.164 0.000 1.089 279 D CA -0.225 53.838 54.000 0.104 0.000 0.883 279 D CB 1.025 41.913 40.800 0.146 0.000 1.029 279 D HN -0.125 nan 8.370 nan 0.000 0.517 280 M N 1.108 120.818 119.600 0.184 0.000 3.666 280 M HA 0.021 4.500 4.480 -0.000 0.000 0.356 280 M C 0.996 177.336 176.300 0.067 0.000 0.985 280 M CA 0.608 55.950 55.300 0.071 0.000 0.949 280 M CB -0.918 31.597 32.600 -0.140 0.000 3.533 280 M HN 0.799 nan 8.290 nan 0.000 0.429 281 G N 2.689 111.520 108.800 0.052 0.000 2.366 281 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.299 281 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.299 281 G C -0.000 174.841 174.900 -0.098 0.000 1.020 281 G CA 0.771 45.876 45.100 0.009 0.000 1.026 281 G HN 0.476 nan 8.290 nan 0.000 0.512 282 L N -0.138 120.987 121.223 -0.162 0.000 2.839 282 L HA 0.250 4.590 4.340 -0.000 0.000 0.259 282 L C -0.691 176.068 176.870 -0.185 0.000 1.369 282 L CA -1.522 53.112 54.840 -0.344 0.000 0.845 282 L CB 1.163 42.918 42.059 -0.506 0.000 1.181 282 L HN 0.066 nan 8.230 nan 0.000 0.529 283 P HA -0.157 nan 4.420 nan 0.000 0.216 283 P C 1.510 178.843 177.300 0.055 0.000 1.153 283 P CA 1.404 64.499 63.100 -0.009 0.000 0.848 283 P CB 0.297 32.004 31.700 0.012 0.000 0.787 284 G N -1.384 107.444 108.800 0.046 0.000 2.653 284 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.212 284 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.212 284 G C 0.913 176.031 174.900 0.363 0.000 1.138 284 G CA 0.020 45.212 45.100 0.154 0.000 0.782 284 G HN 0.135 nan 8.290 nan 0.000 0.535 285 F N 0.163 120.118 119.950 0.009 0.000 2.754 285 F HA 0.299 4.825 4.527 -0.000 0.000 0.297 285 F C 1.264 177.070 175.800 0.010 0.000 1.122 285 F CA -0.618 57.386 58.000 0.006 0.000 1.400 285 F CB 0.138 39.147 39.000 0.015 0.000 1.117 285 F HN 0.007 nan 8.300 nan 0.000 0.587 286 R N 0.179 120.796 120.500 0.195 0.000 3.333 286 R HA -0.146 4.194 4.340 -0.000 0.000 0.256 286 R C -0.805 175.557 176.300 0.103 0.000 1.010 286 R CA 0.215 56.383 56.100 0.114 0.000 0.680 286 R CB -2.803 27.548 30.300 0.085 0.000 1.102 286 R HN 0.012 nan 8.270 nan 0.000 0.440 287 V N 0.470 120.457 119.914 0.122 0.000 2.221 287 V HA 0.339 4.459 4.120 -0.000 0.000 0.258 287 V C 1.484 177.636 176.094 0.097 0.000 1.179 287 V CA 0.047 62.429 62.300 0.137 0.000 1.022 287 V CB 1.177 33.109 31.823 0.182 0.000 1.228 287 V HN 0.418 nan 8.190 nan 0.000 0.487 288 G N 4.652 113.514 108.800 0.103 0.000 2.420 288 G HA2 0.670 4.630 3.960 -0.000 0.000 0.284 288 G HA3 0.670 4.630 3.960 -0.000 0.000 0.284 288 G C -0.709 174.278 174.900 0.144 0.000 1.177 288 G CA -0.375 44.782 45.100 0.095 0.000 0.841 288 G HN 0.382 nan 8.290 nan 0.000 0.527 289 I N 1.661 122.327 120.570 0.160 0.000 2.569 289 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 289 I C -0.585 175.669 176.117 0.228 0.000 1.088 289 I CA -0.652 60.777 61.300 0.214 0.000 1.047 289 I CB 1.928 40.092 38.000 0.272 0.000 1.237 289 I HN 0.316 nan 8.210 nan 0.000 0.421 290 I N 6.120 126.817 120.570 0.212 0.000 2.406 290 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 290 I C -1.342 174.929 176.117 0.257 0.000 0.999 290 I CA -0.798 60.629 61.300 0.212 0.000 1.124 290 I CB 1.996 40.081 38.000 0.142 0.000 1.289 290 I HN 0.443 nan 8.210 nan 0.000 0.441 291 Y N 6.348 126.733 120.300 0.142 0.000 2.646 291 Y HA 0.397 4.947 4.550 -0.000 0.000 0.334 291 Y C -0.241 175.682 175.900 0.038 0.000 1.004 291 Y CA -0.349 57.798 58.100 0.079 0.000 1.301 291 Y CB 1.383 39.920 38.460 0.129 0.000 1.093 291 Y HN 0.478 nan 8.280 nan 0.000 0.530 292 S N 4.037 119.561 115.700 -0.293 0.000 2.525 292 S HA 0.367 4.837 4.470 -0.000 0.000 0.290 292 S C 0.297 174.617 174.600 -0.466 0.000 1.152 292 S CA -0.451 57.669 58.200 -0.133 0.000 1.072 292 S CB 0.448 63.755 63.200 0.180 0.000 1.027 292 S HN 0.607 nan 8.310 nan 0.000 0.500 293 F N 2.363 122.174 119.950 -0.231 0.000 2.797 293 F HA 0.287 4.814 4.527 -0.000 0.000 0.302 293 F C 1.366 177.083 175.800 -0.137 0.000 1.130 293 F CA -0.149 57.721 58.000 -0.218 0.000 1.387 293 F CB 0.099 38.986 39.000 -0.188 0.000 1.107 293 F HN 0.422 nan 8.300 nan 0.000 0.577 294 N N 0.911 119.639 118.700 0.047 0.000 2.425 294 N HA 0.037 4.777 4.740 -0.000 0.000 0.268 294 N C 0.160 175.694 175.510 0.040 0.000 0.991 294 N CA 0.013 53.113 53.050 0.083 0.000 0.931 294 N CB 1.131 39.739 38.487 0.202 0.000 1.130 294 N HN 0.059 nan 8.380 nan 0.000 0.493 295 D N 1.738 122.154 120.400 0.025 0.000 2.178 295 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 295 D C 0.756 177.073 176.300 0.028 0.000 0.974 295 D CA 1.140 55.146 54.000 0.010 0.000 0.841 295 D CB 0.382 41.190 40.800 0.013 0.000 0.953 295 D HN 0.555 nan 8.370 nan 0.000 0.478 296 D N 0.023 120.453 120.400 0.049 0.000 2.103 296 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 296 D C 2.287 178.618 176.300 0.053 0.000 0.978 296 D CA 0.502 54.533 54.000 0.051 0.000 0.829 296 D CB -0.228 40.609 40.800 0.062 0.000 0.981 296 D HN 0.062 nan 8.370 nan 0.000 0.464 297 V N 1.164 121.125 119.914 0.078 0.000 2.332 297 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 297 V C 2.722 178.842 176.094 0.044 0.000 1.055 297 V CA 1.085 63.429 62.300 0.073 0.000 1.038 297 V CB -0.476 31.437 31.823 0.150 0.000 0.651 297 V HN 0.042 nan 8.190 nan 0.000 0.450 298 V N 0.564 120.495 119.914 0.028 0.000 2.287 298 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 298 V C 2.336 178.431 176.094 0.002 0.000 1.053 298 V CA 2.299 64.596 62.300 -0.006 0.000 1.027 298 V CB -0.865 30.933 31.823 -0.042 0.000 0.646 298 V HN 0.589 nan 8.190 nan 0.000 0.447 299 N N -0.501 118.208 118.700 0.014 0.000 2.084 299 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 299 N C 1.945 177.466 175.510 0.019 0.000 1.030 299 N CA 1.881 54.942 53.050 0.020 0.000 0.849 299 N CB -0.768 37.737 38.487 0.030 0.000 1.012 299 N HN 0.576 nan 8.380 nan 0.000 0.423 300 C N 1.387 120.699 119.300 0.021 0.000 2.432 300 C HA 0.040 4.500 4.460 -0.000 0.000 0.277 300 C C 2.879 177.874 174.990 0.008 0.000 1.249 300 C CA 1.181 60.209 59.018 0.016 0.000 1.725 300 C CB -1.237 26.514 27.740 0.019 0.000 2.028 300 C HN 0.475 nan 8.230 nan 0.000 0.477 301 A N 0.013 122.841 122.820 0.012 0.000 1.940 301 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 301 A C 2.386 179.964 177.584 -0.011 0.000 1.176 301 A CA 1.614 53.660 52.037 0.014 0.000 0.631 301 A CB -0.694 18.323 19.000 0.028 0.000 0.814 301 A HN 0.745 nan 8.150 nan 0.000 0.446 302 R N -0.363 120.127 120.500 -0.017 0.000 2.066 302 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 302 R C 2.171 178.439 176.300 -0.055 0.000 1.131 302 R CA 1.618 57.697 56.100 -0.036 0.000 0.955 302 R CB -0.247 30.023 30.300 -0.050 0.000 0.851 302 R HN 0.528 nan 8.270 nan 0.000 0.432 303 K N 0.051 120.441 120.400 -0.016 0.000 2.063 303 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 303 K C 2.067 178.530 176.600 -0.228 0.000 1.048 303 K CA 1.593 57.856 56.287 -0.039 0.000 0.928 303 K CB -0.082 32.419 32.500 0.002 0.000 0.713 303 K HN 0.202 nan 8.250 nan 0.000 0.442 304 M N 0.799 120.321 119.600 -0.130 0.000 2.374 304 M HA -0.098 4.381 4.480 -0.000 0.000 0.264 304 M C 2.096 178.298 176.300 -0.163 0.000 1.067 304 M CA 1.199 56.454 55.300 -0.075 0.000 1.103 304 M CB -0.316 32.315 32.600 0.052 0.000 1.402 304 M HN 0.148 nan 8.290 nan 0.000 0.444 305 S N 0.042 115.594 115.700 -0.248 0.000 2.507 305 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 305 S C 1.802 176.131 174.600 -0.452 0.000 0.988 305 S CA 1.148 59.203 58.200 -0.241 0.000 0.944 305 S CB -0.735 62.368 63.200 -0.161 0.000 0.762 305 S HN 0.558 nan 8.310 nan 0.000 0.526 306 S N 1.405 116.580 115.700 -0.874 0.000 2.419 306 S HA -0.036 4.434 4.470 -0.000 0.000 0.233 306 S C 1.301 175.577 174.600 -0.540 0.000 1.016 306 S CA 0.786 58.408 58.200 -0.963 0.000 0.974 306 S CB -0.942 61.537 63.200 -1.202 0.000 0.786 306 S HN 0.526 nan 8.310 nan 0.000 0.492 307 F N 2.309 122.136 119.950 -0.205 0.000 2.456 307 F HA 0.330 4.856 4.527 -0.000 0.000 0.298 307 F C 1.826 177.578 175.800 -0.079 0.000 1.104 307 F CA 0.132 58.061 58.000 -0.119 0.000 1.435 307 F CB -0.453 38.481 39.000 -0.110 0.000 1.078 307 F HN 0.416 nan 8.300 nan 0.000 0.546 308 G N 0.537 109.375 108.800 0.064 0.000 4.729 308 G HA2 0.462 4.422 3.960 -0.000 0.000 0.258 308 G HA3 0.462 4.422 3.960 -0.000 0.000 0.258 308 G C -0.657 174.247 174.900 0.007 0.000 1.188 308 G CA -0.352 44.778 45.100 0.050 0.000 0.866 308 G HN 0.003 nan 8.290 nan 0.000 0.562 309 L N 0.875 122.081 121.223 -0.027 0.000 2.350 309 L HA 0.370 4.710 4.340 -0.000 0.000 0.275 309 L C 0.739 177.585 176.870 -0.041 0.000 1.099 309 L CA -0.924 53.895 54.840 -0.034 0.000 0.808 309 L CB 1.652 43.689 42.059 -0.036 0.000 1.149 309 L HN -0.055 nan 8.230 nan 0.000 0.442 310 V N 1.937 121.806 119.914 -0.074 0.000 2.872 310 V HA -0.064 4.056 4.120 -0.000 0.000 0.307 310 V C 0.806 176.805 176.094 -0.160 0.000 1.072 310 V CA 0.032 62.255 62.300 -0.129 0.000 1.148 310 V CB 1.413 33.097 31.823 -0.232 0.000 0.954 310 V HN 0.849 nan 8.190 nan 0.000 0.490 311 S N 2.701 118.311 115.700 -0.151 0.000 2.516 311 S HA 0.034 4.504 4.470 -0.000 0.000 0.282 311 S C 1.634 176.129 174.600 -0.175 0.000 1.286 311 S CA -0.017 58.101 58.200 -0.136 0.000 1.066 311 S CB 0.684 63.808 63.200 -0.126 0.000 0.884 311 S HN 1.083 nan 8.310 nan 0.000 0.491 312 T N 2.809 117.277 114.554 -0.142 0.000 2.751 312 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 312 T C 1.623 176.255 174.700 -0.113 0.000 1.045 312 T CA 1.906 63.911 62.100 -0.159 0.000 1.142 312 T CB -0.497 68.303 68.868 -0.113 0.000 0.851 312 T HN 0.785 nan 8.240 nan 0.000 0.474 313 Q N 0.837 120.584 119.800 -0.088 0.000 2.046 313 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 313 Q C 2.271 178.261 176.000 -0.017 0.000 0.975 313 Q CA 1.767 57.553 55.803 -0.028 0.000 0.836 313 Q CB -0.420 28.293 28.738 -0.041 0.000 0.896 313 Q HN 0.584 nan 8.270 nan 0.000 0.428 314 T N 1.130 115.588 114.554 -0.160 0.000 2.867 314 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 314 T C 1.686 176.347 174.700 -0.064 0.000 1.057 314 T CA 1.260 63.219 62.100 -0.235 0.000 1.136 314 T CB -0.065 68.543 68.868 -0.433 0.000 0.874 314 T HN 0.376 nan 8.240 nan 0.000 0.466 315 Q N -0.342 119.347 119.800 -0.185 0.000 2.020 315 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 315 Q C 2.069 178.082 176.000 0.021 0.000 0.982 315 Q CA 1.575 57.199 55.803 -0.299 0.000 0.838 315 Q CB -0.332 28.076 28.738 -0.550 0.000 0.899 315 Q HN 0.588 nan 8.270 nan 0.000 0.423 316 Y N 0.858 121.118 120.300 -0.066 0.000 2.053 316 Y HA -0.349 4.201 4.550 -0.000 0.000 0.277 316 Y C 2.085 178.025 175.900 0.067 0.000 1.159 316 Y CA 1.979 60.081 58.100 0.004 0.000 1.125 316 Y CB -0.677 37.792 38.460 0.014 0.000 0.969 316 Y HN 0.151 nan 8.280 nan 0.000 0.492 317 F N 0.403 120.395 119.950 0.071 0.000 2.043 317 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 317 F C 2.043 177.803 175.800 -0.066 0.000 1.118 317 F CA 2.263 60.268 58.000 0.009 0.000 1.202 317 F CB -0.936 38.086 39.000 0.035 0.000 0.965 317 F HN 0.103 nan 8.300 nan 0.000 0.482 318 L N 0.045 121.158 121.223 -0.184 0.000 2.042 318 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 318 L C 2.851 179.544 176.870 -0.296 0.000 1.076 318 L CA 1.207 55.859 54.840 -0.313 0.000 0.749 318 L CB -1.276 40.830 42.059 0.080 0.000 0.893 318 L HN 0.353 nan 8.230 nan 0.000 0.432 319 A N 0.079 122.829 122.820 -0.117 0.000 1.908 319 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 319 A C 2.512 179.961 177.584 -0.226 0.000 1.181 319 A CA 1.971 53.938 52.037 -0.117 0.000 0.627 319 A CB -0.700 18.271 19.000 -0.049 0.000 0.818 319 A HN 0.435 nan 8.150 nan 0.000 0.445 320 A N -1.110 121.522 122.820 -0.314 0.000 1.930 320 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 320 A C 2.259 179.704 177.584 -0.232 0.000 1.175 320 A CA 1.817 53.716 52.037 -0.229 0.000 0.627 320 A CB -0.428 18.444 19.000 -0.212 0.000 0.815 320 A HN 0.615 nan 8.150 nan 0.000 0.443 321 M N -0.694 118.491 119.600 -0.692 0.000 2.160 321 M HA 0.090 4.570 4.480 -0.000 0.000 0.264 321 M C 1.527 177.345 176.300 -0.803 0.000 1.073 321 M CA 1.357 55.833 55.300 -1.373 0.000 1.142 321 M CB -0.112 31.373 32.600 -1.858 0.000 1.358 321 M HN 0.332 nan 8.290 nan 0.000 0.422 322 L N -0.644 120.256 121.223 -0.539 0.000 2.551 322 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 322 L C 1.526 178.313 176.870 -0.138 0.000 1.153 322 L CA 0.243 54.894 54.840 -0.316 0.000 0.851 322 L CB -0.322 41.524 42.059 -0.354 0.000 0.959 322 L HN 0.220 nan 8.230 nan 0.000 0.451 323 S N -1.252 114.367 115.700 -0.135 0.000 2.634 323 S HA 0.007 4.477 4.470 -0.000 0.000 0.221 323 S C 0.467 175.078 174.600 0.019 0.000 0.952 323 S CA -0.001 58.172 58.200 -0.046 0.000 0.930 323 S CB -0.210 62.959 63.200 -0.051 0.000 0.780 323 S HN 0.251 nan 8.310 nan 0.000 0.498 324 D N 1.838 122.262 120.400 0.039 0.000 2.493 324 D HA 0.134 4.774 4.640 -0.000 0.000 0.235 324 D C 0.887 177.289 176.300 0.170 0.000 1.117 324 D CA -0.142 53.949 54.000 0.152 0.000 0.930 324 D CB 0.500 41.473 40.800 0.288 0.000 1.010 324 D HN 0.145 nan 8.370 nan 0.000 0.514 325 E N 2.065 122.338 120.200 0.121 0.000 2.136 325 E HA -0.265 4.084 4.350 -0.000 0.000 0.202 325 E C 1.505 178.175 176.600 0.117 0.000 1.019 325 E CA 1.147 57.609 56.400 0.103 0.000 0.819 325 E CB 0.254 29.999 29.700 0.074 0.000 0.739 325 E HN 0.486 nan 8.360 nan 0.000 0.458 326 K N 0.147 120.635 120.400 0.147 0.000 2.026 326 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 326 K C 2.138 178.838 176.600 0.168 0.000 1.048 326 K CA 1.115 57.488 56.287 0.145 0.000 0.929 326 K CB -0.255 32.341 32.500 0.159 0.000 0.713 326 K HN 0.023 nan 8.250 nan 0.000 0.439 327 F N 1.279 121.306 119.950 0.127 0.000 2.069 327 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 327 F C 1.788 177.640 175.800 0.087 0.000 1.113 327 F CA 1.474 59.535 58.000 0.103 0.000 1.214 327 F CB -0.519 38.428 39.000 -0.088 0.000 0.978 327 F HN -0.204 nan 8.300 nan 0.000 0.474 328 V N 0.978 120.909 119.914 0.028 0.000 2.332 328 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 328 V C 2.149 178.253 176.094 0.016 0.000 1.055 328 V CA 2.261 64.574 62.300 0.022 0.000 1.038 328 V CB -0.829 31.102 31.823 0.180 0.000 0.651 328 V HN 0.354 nan 8.190 nan 0.000 0.450 329 D N 0.015 120.426 120.400 0.019 0.000 2.084 329 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 329 D C 2.070 178.358 176.300 -0.019 0.000 0.985 329 D CA 1.683 55.689 54.000 0.010 0.000 0.826 329 D CB -0.568 40.244 40.800 0.020 0.000 0.978 329 D HN 0.444 nan 8.370 nan 0.000 0.456 330 N N -0.227 118.449 118.700 -0.040 0.000 2.166 330 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 330 N C 1.585 177.020 175.510 -0.126 0.000 1.019 330 N CA 0.625 53.639 53.050 -0.061 0.000 0.856 330 N CB -0.333 38.137 38.487 -0.028 0.000 0.993 330 N HN 0.056 nan 8.380 nan 0.000 0.426 331 F N 0.834 120.560 119.950 -0.374 0.000 2.046 331 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 331 F C 1.911 177.612 175.800 -0.166 0.000 1.123 331 F CA 1.411 59.175 58.000 -0.395 0.000 1.199 331 F CB -0.382 38.164 39.000 -0.757 0.000 0.972 331 F HN 0.039 nan 8.300 nan 0.000 0.474 332 L N -0.118 121.162 121.223 0.094 0.000 2.042 332 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 332 L C 2.736 179.572 176.870 -0.057 0.000 1.076 332 L CA 1.555 56.428 54.840 0.054 0.000 0.749 332 L CB -0.760 41.336 42.059 0.061 0.000 0.893 332 L HN 0.121 nan 8.230 nan 0.000 0.432 333 R N -0.041 120.422 120.500 -0.062 0.000 2.066 333 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 333 R C 2.258 178.504 176.300 -0.090 0.000 1.131 333 R CA 1.258 57.323 56.100 -0.058 0.000 0.955 333 R CB -0.028 30.248 30.300 -0.040 0.000 0.851 333 R HN 0.296 nan 8.270 nan 0.000 0.432 334 E N 0.079 120.190 120.200 -0.148 0.000 2.072 334 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 334 E C 1.860 178.342 176.600 -0.197 0.000 0.985 334 E CA 1.015 57.315 56.400 -0.168 0.000 0.801 334 E CB -0.245 29.330 29.700 -0.208 0.000 0.750 334 E HN 0.190 nan 8.360 nan 0.000 0.452 335 S N 0.293 115.811 115.700 -0.304 0.000 2.359 335 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 335 S C 2.055 176.606 174.600 -0.081 0.000 1.035 335 S CA 1.454 59.502 58.200 -0.254 0.000 1.018 335 S CB -0.118 62.894 63.200 -0.313 0.000 0.876 335 S HN 0.333 nan 8.310 nan 0.000 0.448 336 A N 1.124 123.919 122.820 -0.042 0.000 1.940 336 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 336 A C 2.242 179.856 177.584 0.050 0.000 1.176 336 A CA 1.700 53.763 52.037 0.042 0.000 0.631 336 A CB -0.572 18.446 19.000 0.030 0.000 0.814 336 A HN 0.640 nan 8.150 nan 0.000 0.446 337 M N -1.477 118.120 119.600 -0.005 0.000 2.193 337 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 337 M C 2.399 178.682 176.300 -0.029 0.000 1.071 337 M CA 1.167 56.461 55.300 -0.010 0.000 1.140 337 M CB -0.258 32.328 32.600 -0.024 0.000 1.369 337 M HN 0.348 nan 8.290 nan 0.000 0.423 338 R N 0.423 120.896 120.500 -0.045 0.000 2.075 338 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 338 R C 2.103 178.373 176.300 -0.049 0.000 1.126 338 R CA 1.122 57.194 56.100 -0.047 0.000 0.963 338 R CB -0.500 29.767 30.300 -0.054 0.000 0.858 338 R HN 0.321 nan 8.270 nan 0.000 0.435 339 L N -0.127 121.079 121.223 -0.028 0.000 2.131 339 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 339 L C 2.470 179.167 176.870 -0.288 0.000 1.092 339 L CA 1.299 56.114 54.840 -0.042 0.000 0.759 339 L CB -0.491 41.642 42.059 0.122 0.000 0.903 339 L HN 0.357 nan 8.230 nan 0.000 0.435 340 G N -0.644 108.049 108.800 -0.179 0.000 2.394 340 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 340 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 340 G C 1.668 176.457 174.900 -0.186 0.000 1.165 340 G CA 0.441 45.397 45.100 -0.241 0.000 0.784 340 G HN 0.233 nan 8.290 nan 0.000 0.535 341 K N 0.270 120.604 120.400 -0.111 0.000 2.057 341 K HA -0.082 4.237 4.320 -0.000 0.000 0.206 341 K C 2.559 179.108 176.600 -0.085 0.000 1.050 341 K CA 1.233 57.473 56.287 -0.079 0.000 0.935 341 K CB -0.096 32.369 32.500 -0.058 0.000 0.715 341 K HN 0.186 nan 8.250 nan 0.000 0.439 342 R N 0.455 120.886 120.500 -0.116 0.000 2.062 342 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 342 R C 2.564 178.645 176.300 -0.366 0.000 1.136 342 R CA 1.981 57.999 56.100 -0.136 0.000 0.948 342 R CB -0.822 29.420 30.300 -0.096 0.000 0.845 342 R HN 0.394 nan 8.270 nan 0.000 0.430 343 H N 0.413 119.072 119.070 -0.685 0.000 2.319 343 H HA -0.146 4.410 4.556 -0.000 0.000 0.297 343 H C 1.411 176.444 175.328 -0.492 0.000 1.097 343 H CA 2.309 57.781 56.048 -0.961 0.000 1.285 343 H CB 0.137 29.225 29.762 -1.123 0.000 1.368 343 H HN 0.077 nan 8.280 nan 0.000 0.495 344 K N -0.153 120.103 120.400 -0.240 0.000 2.002 344 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 344 K C 2.520 179.044 176.600 -0.128 0.000 1.048 344 K CA 1.530 57.743 56.287 -0.123 0.000 0.930 344 K CB -0.866 31.629 32.500 -0.008 0.000 0.714 344 K HN 0.519 nan 8.250 nan 0.000 0.438 345 H N -1.282 117.679 119.070 -0.182 0.000 2.319 345 H HA -0.207 4.349 4.556 -0.000 0.000 0.297 345 H C 1.961 177.201 175.328 -0.147 0.000 1.097 345 H CA 1.827 57.795 56.048 -0.133 0.000 1.285 345 H CB -0.083 29.624 29.762 -0.092 0.000 1.368 345 H HN 0.212 nan 8.280 nan 0.000 0.495 346 F N 1.439 121.115 119.950 -0.458 0.000 2.146 346 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 346 F C 2.448 178.022 175.800 -0.376 0.000 1.096 346 F CA 1.861 59.559 58.000 -0.503 0.000 1.275 346 F CB -0.574 38.079 39.000 -0.577 0.000 1.008 346 F HN 0.065 nan 8.300 nan 0.000 0.480 347 T N 0.299 114.562 114.554 -0.486 0.000 2.857 347 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 347 T C 1.688 176.201 174.700 -0.312 0.000 1.048 347 T CA 1.293 63.139 62.100 -0.423 0.000 1.139 347 T CB -0.328 68.321 68.868 -0.364 0.000 0.874 347 T HN 0.195 nan 8.240 nan 0.000 0.455 348 N N 1.111 119.674 118.700 -0.229 0.000 2.289 348 N HA -0.031 4.708 4.740 -0.000 0.000 0.184 348 N C 2.062 177.471 175.510 -0.169 0.000 1.016 348 N CA 1.081 54.048 53.050 -0.138 0.000 0.872 348 N CB -0.610 37.844 38.487 -0.054 0.000 0.973 348 N HN 0.517 nan 8.380 nan 0.000 0.433 349 G N 0.760 109.395 108.800 -0.275 0.000 2.394 349 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.214 349 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.214 349 G C 1.582 176.306 174.900 -0.293 0.000 1.176 349 G CA 0.082 45.016 45.100 -0.277 0.000 0.786 349 G HN 0.228 nan 8.290 nan 0.000 0.533 350 L N 0.022 120.991 121.223 -0.424 0.000 2.265 350 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 350 L C 2.636 179.385 176.870 -0.202 0.000 1.117 350 L CA 0.921 55.555 54.840 -0.343 0.000 0.782 350 L CB -0.132 41.666 42.059 -0.434 0.000 0.914 350 L HN 0.305 nan 8.230 nan 0.000 0.441 351 E N -0.445 119.651 120.200 -0.174 0.000 2.230 351 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 351 E C 2.206 178.752 176.600 -0.091 0.000 0.987 351 E CA 0.264 56.599 56.400 -0.108 0.000 0.841 351 E CB 0.330 29.980 29.700 -0.083 0.000 0.783 351 E HN 0.191 nan 8.360 nan 0.000 0.481 352 V N 0.882 120.735 119.914 -0.101 0.000 2.453 352 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 352 V C 2.095 178.144 176.094 -0.074 0.000 1.068 352 V CA 1.821 64.075 62.300 -0.077 0.000 1.070 352 V CB -0.206 31.571 31.823 -0.077 0.000 0.664 352 V HN 0.400 nan 8.190 nan 0.000 0.461 353 V N -2.484 117.375 119.914 -0.091 0.000 3.444 353 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 353 V C 1.389 177.431 176.094 -0.086 0.000 1.371 353 V CA 0.703 62.952 62.300 -0.085 0.000 1.141 353 V CB -0.350 31.418 31.823 -0.092 0.000 1.037 353 V HN 0.599 nan 8.190 nan 0.000 0.433 354 G N 1.011 109.762 108.800 -0.081 0.000 2.268 354 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.240 354 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.240 354 G C 0.141 174.993 174.900 -0.079 0.000 1.010 354 G CA 0.183 45.239 45.100 -0.073 0.000 0.618 354 G HN 0.575 nan 8.290 nan 0.000 0.516 355 I N 1.965 122.477 120.570 -0.096 0.000 2.668 355 I HA 0.214 4.384 4.170 -0.000 0.000 0.285 355 I C 0.714 176.785 176.117 -0.078 0.000 1.168 355 I CA 0.709 61.952 61.300 -0.096 0.000 1.424 355 I CB 0.589 38.525 38.000 -0.107 0.000 1.377 355 I HN 0.097 nan 8.210 nan 0.000 0.560 356 K N 5.296 125.669 120.400 -0.046 0.000 2.281 356 K HA 0.686 5.006 4.320 -0.000 0.000 0.242 356 K C -1.166 175.485 176.600 0.086 0.000 0.971 356 K CA -0.664 55.630 56.287 0.013 0.000 0.834 356 K CB 2.139 34.660 32.500 0.034 0.000 1.181 356 K HN 0.560 nan 8.250 nan 0.000 0.435 357 C N 0.739 120.148 119.300 0.181 0.000 2.822 357 C HA 0.464 4.923 4.460 -0.000 0.000 0.341 357 C C -0.362 174.886 174.990 0.429 0.000 1.301 357 C CA -1.034 58.193 59.018 0.348 0.000 1.706 357 C CB 0.761 28.711 27.740 0.349 0.000 2.178 357 C HN 0.769 nan 8.230 nan 0.000 0.481 358 L N 2.040 123.596 121.223 0.554 0.000 2.461 358 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 358 L C 0.467 177.549 176.870 0.352 0.000 1.197 358 L CA 0.510 55.616 54.840 0.443 0.000 0.836 358 L CB 0.216 42.525 42.059 0.417 0.000 1.105 358 L HN 0.676 nan 8.230 nan 0.000 0.477 359 K N 5.046 125.606 120.400 0.267 0.000 2.349 359 K HA 0.216 4.536 4.320 -0.000 0.000 0.288 359 K C -0.915 175.805 176.600 0.200 0.000 1.058 359 K CA -0.282 56.148 56.287 0.237 0.000 0.953 359 K CB 0.092 32.694 32.500 0.171 0.000 0.997 359 K HN 0.883 nan 8.250 nan 0.000 0.477 360 N N 2.398 121.238 118.700 0.233 0.000 2.455 360 N HA 0.163 4.903 4.740 -0.000 0.000 0.278 360 N C -0.764 174.696 175.510 -0.083 0.000 1.291 360 N CA -0.804 52.305 53.050 0.097 0.000 0.780 360 N CB 1.172 39.762 38.487 0.172 0.000 1.520 360 N HN 0.655 nan 8.380 nan 0.000 0.486 361 N N -1.308 117.155 118.700 -0.394 0.000 2.160 361 N HA 0.284 5.024 4.740 -0.000 0.000 0.226 361 N C -0.582 173.906 175.510 -1.703 0.000 1.256 361 N CA -0.286 52.179 53.050 -0.975 0.000 0.890 361 N CB 0.877 39.089 38.487 -0.459 0.000 1.116 361 N HN 0.696 nan 8.380 nan 0.000 0.517 362 A N -0.540 121.640 122.820 -1.066 0.000 2.535 362 A HA 0.885 5.205 4.320 -0.000 0.000 0.296 362 A C 0.338 177.727 177.584 -0.325 0.000 1.248 362 A CA -0.188 51.440 52.037 -0.682 0.000 0.686 362 A CB 0.727 19.485 19.000 -0.403 0.000 1.315 362 A HN 0.786 nan 8.150 nan 0.000 0.460 363 G N -1.968 106.604 108.800 -0.381 0.000 2.760 363 G HA2 0.113 4.073 3.960 -0.000 0.000 0.246 363 G HA3 0.113 4.073 3.960 -0.000 0.000 0.246 363 G C -0.333 174.193 174.900 -0.623 0.000 1.359 363 G CA -0.095 44.495 45.100 -0.851 0.000 0.861 363 G HN 1.520 nan 8.290 nan 0.000 0.541 364 L N 0.306 120.787 121.223 -1.237 0.000 3.255 364 L HA 0.585 4.925 4.340 -0.000 0.000 0.293 364 L C -0.075 176.173 176.870 -1.037 0.000 1.302 364 L CA -0.253 54.198 54.840 -0.650 0.000 0.977 364 L CB -0.509 41.430 42.059 -0.200 0.000 1.390 364 L HN 0.769 nan 8.230 nan 0.000 0.588 365 F N -1.740 117.739 119.950 -0.785 0.000 2.900 365 F HA 0.626 5.153 4.527 -0.000 0.000 0.321 365 F C -0.723 174.980 175.800 -0.163 0.000 1.160 365 F CA -2.111 55.317 58.000 -0.953 0.000 0.890 365 F CB 0.316 39.074 39.000 -0.403 0.000 1.334 365 F HN -0.073 nan 8.300 nan 0.000 0.459 366 C N -1.206 118.392 119.300 0.497 0.000 2.898 366 C HA 0.613 5.073 4.460 -0.000 0.000 0.304 366 C C -0.930 174.421 174.990 0.601 0.000 1.237 366 C CA -0.824 58.602 59.018 0.681 0.000 1.529 366 C CB 1.894 30.121 27.740 0.811 0.000 2.021 366 C HN 1.139 nan 8.230 nan 0.000 0.474 367 W N 4.419 125.887 121.300 0.280 0.000 2.072 367 W HA 0.389 5.049 4.660 -0.000 0.000 0.413 367 W C -0.006 176.811 176.519 0.498 0.000 0.865 367 W CA -0.643 56.823 57.345 0.202 0.000 1.579 367 W CB 0.576 30.010 29.460 -0.043 0.000 1.720 367 W HN 0.857 nan 8.180 nan 0.000 0.301 368 M N 4.441 124.270 119.600 0.382 0.000 2.217 368 M HA -0.033 4.446 4.480 -0.000 0.000 0.352 368 M C -0.232 176.094 176.300 0.045 0.000 1.376 368 M CA 0.829 56.286 55.300 0.262 0.000 1.107 368 M CB 0.401 33.144 32.600 0.238 0.000 1.723 368 M HN 0.178 nan 8.290 nan 0.000 0.461 369 D N 5.653 125.923 120.400 -0.217 0.000 2.428 369 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 369 D C -0.344 175.681 176.300 -0.457 0.000 1.123 369 D CA -0.060 53.401 54.000 -0.897 0.000 0.869 369 D CB 0.352 40.441 40.800 -1.185 0.000 1.032 369 D HN 0.700 nan 8.370 nan 0.000 0.506 370 L N 4.048 125.078 121.223 -0.322 0.000 2.984 370 L HA 0.318 4.658 4.340 -0.000 0.000 0.246 370 L C 1.960 178.741 176.870 -0.147 0.000 1.268 370 L CA -0.314 54.446 54.840 -0.133 0.000 1.054 370 L CB 0.124 42.200 42.059 0.029 0.000 1.393 370 L HN 0.264 nan 8.230 nan 0.000 0.532 371 R N 1.362 121.677 120.500 -0.308 0.000 2.096 371 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 371 R C -0.494 175.721 176.300 -0.142 0.000 1.127 371 R CA 1.308 57.268 56.100 -0.235 0.000 0.968 371 R CB -0.809 29.311 30.300 -0.300 0.000 0.861 371 R HN 0.333 nan 8.270 nan 0.000 0.440 372 P HA -0.073 nan 4.420 nan 0.000 0.242 372 P C 0.691 177.931 177.300 -0.100 0.000 1.197 372 P CA 1.076 64.110 63.100 -0.110 0.000 0.765 372 P CB 0.130 31.762 31.700 -0.113 0.000 0.936 373 L N -1.480 119.687 121.223 -0.093 0.000 2.607 373 L HA 0.185 4.524 4.340 -0.000 0.000 0.228 373 L C 1.361 178.213 176.870 -0.031 0.000 1.123 373 L CA -0.140 54.646 54.840 -0.090 0.000 0.890 373 L CB -0.153 41.845 42.059 -0.101 0.000 1.103 373 L HN -0.074 nan 8.230 nan 0.000 0.468 374 L N -0.360 120.851 121.223 -0.019 0.000 2.479 374 L HA 0.208 4.548 4.340 -0.000 0.000 0.248 374 L C 1.392 178.257 176.870 -0.008 0.000 1.205 374 L CA -0.447 54.397 54.840 0.008 0.000 0.817 374 L CB 0.428 42.483 42.059 -0.006 0.000 1.162 374 L HN 0.059 nan 8.230 nan 0.000 0.486 375 R N -0.121 120.382 120.500 0.004 0.000 2.250 375 R HA 0.314 4.654 4.340 -0.000 0.000 0.194 375 R C -0.376 175.918 176.300 -0.010 0.000 0.927 375 R CA 0.336 56.435 56.100 -0.002 0.000 1.052 375 R CB 0.319 30.626 30.300 0.012 0.000 1.055 375 R HN 0.619 nan 8.270 nan 0.000 0.537 376 E N -0.459 119.733 120.200 -0.014 0.000 2.372 376 E HA 0.250 4.600 4.350 -0.000 0.000 0.279 376 E C -1.045 175.522 176.600 -0.054 0.000 0.946 376 E CA -0.353 56.031 56.400 -0.027 0.000 0.769 376 E CB 2.120 31.810 29.700 -0.016 0.000 1.230 376 E HN -0.247 nan 8.360 nan 0.000 0.442 377 S N 1.770 117.426 115.700 -0.072 0.000 3.870 377 S HA 0.068 4.538 4.470 -0.000 0.000 0.198 377 S C -0.117 174.370 174.600 -0.189 0.000 1.336 377 S CA 0.140 58.266 58.200 -0.124 0.000 1.049 377 S CB -0.799 62.343 63.200 -0.097 0.000 1.412 377 S HN 0.454 nan 8.310 nan 0.000 0.448 378 T N -2.075 112.373 114.554 -0.177 0.000 2.886 378 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 378 T C 0.464 175.065 174.700 -0.165 0.000 1.012 378 T CA -0.808 61.183 62.100 -0.181 0.000 0.982 378 T CB 0.661 69.506 68.868 -0.039 0.000 1.018 378 T HN 0.065 nan 8.240 nan 0.000 0.451 379 F N 1.003 120.981 119.950 0.046 0.000 2.529 379 F HA 0.017 4.544 4.527 -0.000 0.000 0.297 379 F C 1.886 177.724 175.800 0.063 0.000 1.114 379 F CA 0.617 58.645 58.000 0.046 0.000 1.467 379 F CB -0.433 38.592 39.000 0.042 0.000 1.096 379 F HN 0.608 nan 8.300 nan 0.000 0.586 380 D N -1.034 119.476 120.400 0.184 0.000 2.277 380 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 380 D C 2.068 178.446 176.300 0.129 0.000 0.962 380 D CA 0.912 54.998 54.000 0.144 0.000 0.865 380 D CB -0.042 40.818 40.800 0.101 0.000 0.939 380 D HN 0.234 nan 8.370 nan 0.000 0.510 381 S N 0.605 116.369 115.700 0.106 0.000 2.421 381 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 381 S C 1.846 176.546 174.600 0.167 0.000 1.035 381 S CA 0.168 58.430 58.200 0.104 0.000 0.953 381 S CB 0.340 63.571 63.200 0.050 0.000 0.810 381 S HN 0.313 nan 8.310 nan 0.000 0.497 382 E N 1.289 121.597 120.200 0.180 0.000 2.077 382 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 382 E C 1.731 178.572 176.600 0.401 0.000 0.989 382 E CA 1.106 57.669 56.400 0.271 0.000 0.800 382 E CB -0.078 29.724 29.700 0.170 0.000 0.746 382 E HN 0.247 nan 8.360 nan 0.000 0.452 383 M N 0.539 120.339 119.600 0.334 0.000 2.229 383 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 383 M C 2.485 179.001 176.300 0.360 0.000 1.063 383 M CA 1.027 56.567 55.300 0.400 0.000 1.114 383 M CB -1.026 31.747 32.600 0.288 0.000 1.387 383 M HN 0.113 nan 8.290 nan 0.000 0.420 384 S N 0.838 116.690 115.700 0.254 0.000 2.355 384 S HA -0.104 4.366 4.470 -0.000 0.000 0.222 384 S C 1.855 176.570 174.600 0.191 0.000 1.031 384 S CA 1.010 59.319 58.200 0.181 0.000 0.993 384 S CB -0.209 63.073 63.200 0.137 0.000 0.859 384 S HN 0.380 nan 8.310 nan 0.000 0.453 385 L N 0.727 122.098 121.223 0.246 0.000 2.046 385 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 385 L C 1.942 178.944 176.870 0.220 0.000 1.077 385 L CA 2.069 57.050 54.840 0.234 0.000 0.747 385 L CB -1.325 40.900 42.059 0.276 0.000 0.896 385 L HN 0.605 nan 8.230 nan 0.000 0.432 386 W N 1.064 122.483 121.300 0.198 0.000 2.318 386 W HA -0.234 4.426 4.660 -0.000 0.000 0.313 386 W C 2.715 179.269 176.519 0.059 0.000 1.221 386 W CA 2.279 59.736 57.345 0.187 0.000 1.266 386 W CB -0.344 29.341 29.460 0.375 0.000 1.150 386 W HN 0.106 nan 8.180 nan 0.000 0.496 387 R N -0.397 120.090 120.500 -0.022 0.000 2.083 387 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 387 R C 2.034 178.196 176.300 -0.229 0.000 1.137 387 R CA 2.076 58.050 56.100 -0.211 0.000 0.951 387 R CB -1.381 28.884 30.300 -0.057 0.000 0.851 387 R HN 0.196 nan 8.270 nan 0.000 0.434 388 V N 1.900 121.722 119.914 -0.153 0.000 2.282 388 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 388 V C 2.410 178.254 176.094 -0.416 0.000 1.057 388 V CA 1.915 64.077 62.300 -0.230 0.000 1.032 388 V CB -0.479 31.251 31.823 -0.155 0.000 0.645 388 V HN 0.278 nan 8.190 nan 0.000 0.447 389 I N 0.269 120.574 120.570 -0.441 0.000 2.286 389 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 389 I C 2.156 178.054 176.117 -0.365 0.000 1.115 389 I CA 2.051 63.066 61.300 -0.476 0.000 1.392 389 I CB -0.306 37.478 38.000 -0.360 0.000 1.065 389 I HN 0.420 nan 8.210 nan 0.000 0.418 390 I N -2.364 117.963 120.570 -0.404 0.000 3.793 390 I HA 0.101 4.271 4.170 -0.000 0.000 0.315 390 I C 1.357 177.323 176.117 -0.251 0.000 1.275 390 I CA 0.628 61.715 61.300 -0.355 0.000 1.214 390 I CB -0.160 37.498 38.000 -0.570 0.000 1.018 390 I HN 0.156 nan 8.210 nan 0.000 0.439 391 N N 1.039 119.600 118.700 -0.233 0.000 2.782 391 N HA 0.036 4.776 4.740 -0.000 0.000 0.244 391 N C 0.861 176.290 175.510 -0.136 0.000 1.029 391 N CA 0.581 53.536 53.050 -0.158 0.000 0.999 391 N CB 0.173 38.576 38.487 -0.140 0.000 1.634 391 N HN 0.324 nan 8.380 nan 0.000 0.478 392 D N 0.888 121.187 120.400 -0.168 0.000 2.240 392 D HA 0.050 4.690 4.640 -0.000 0.000 0.206 392 D C 1.730 177.929 176.300 -0.169 0.000 0.963 392 D CA 0.645 54.557 54.000 -0.146 0.000 0.863 392 D CB 0.717 41.434 40.800 -0.138 0.000 0.973 392 D HN -0.015 nan 8.370 nan 0.000 0.501 393 V N 0.857 120.615 119.914 -0.259 0.000 3.354 393 V HA -0.013 4.107 4.120 -0.000 0.000 0.258 393 V C 0.718 176.722 176.094 -0.150 0.000 1.159 393 V CA 0.147 62.304 62.300 -0.237 0.000 1.125 393 V CB -0.285 31.305 31.823 -0.388 0.000 0.774 393 V HN 0.114 nan 8.190 nan 0.000 0.464 394 K N 0.229 120.544 120.400 -0.142 0.000 3.117 394 K HA -0.181 4.139 4.320 -0.000 0.000 0.269 394 K C -0.436 176.122 176.600 -0.070 0.000 1.098 394 K CA 0.566 56.804 56.287 -0.082 0.000 0.785 394 K CB -1.678 30.803 32.500 -0.032 0.000 1.242 394 K HN 0.398 nan 8.250 nan 0.000 0.491 395 L N 0.957 122.118 121.223 -0.104 0.000 2.325 395 L HA 0.300 4.640 4.340 -0.000 0.000 0.281 395 L C 0.336 177.178 176.870 -0.047 0.000 1.004 395 L CA -0.906 53.889 54.840 -0.074 0.000 0.823 395 L CB 1.688 43.703 42.059 -0.073 0.000 1.236 395 L HN -0.015 nan 8.230 nan 0.000 0.415 396 N N 3.420 122.117 118.700 -0.006 0.000 2.437 396 N HA 0.408 5.148 4.740 -0.000 0.000 0.243 396 N C -0.578 175.026 175.510 0.157 0.000 1.041 396 N CA -0.417 52.675 53.050 0.071 0.000 0.940 396 N CB 0.990 39.521 38.487 0.073 0.000 1.133 396 N HN 0.417 nan 8.380 nan 0.000 0.506 397 V N 0.688 120.792 119.914 0.316 0.000 3.285 397 V HA 0.755 4.875 4.120 -0.000 0.000 0.302 397 V C -0.101 176.323 176.094 0.550 0.000 1.247 397 V CA -0.776 61.748 62.300 0.374 0.000 1.035 397 V CB 1.279 33.303 31.823 0.335 0.000 1.223 397 V HN 0.446 nan 8.190 nan 0.000 0.475 398 S N 2.391 118.341 115.700 0.418 0.000 2.502 398 S HA 0.636 5.106 4.470 -0.000 0.000 0.304 398 S C -2.922 171.710 174.600 0.054 0.000 1.097 398 S CA -0.971 57.362 58.200 0.221 0.000 1.045 398 S CB 1.803 65.215 63.200 0.353 0.000 1.019 398 S HN 0.880 nan 8.310 nan 0.000 0.481 399 P HA 0.187 nan 4.420 nan 0.000 0.282 399 P C 1.037 178.034 177.300 -0.505 0.000 1.262 399 P CA -0.183 62.450 63.100 -0.777 0.000 0.773 399 P CB 0.848 31.967 31.700 -0.968 0.000 0.879 400 G N 3.915 112.372 108.800 -0.571 0.000 2.547 400 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.221 400 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.221 400 G C 1.570 176.446 174.900 -0.040 0.000 1.140 400 G CA 1.387 46.389 45.100 -0.163 0.000 0.760 400 G HN 0.599 nan 8.290 nan 0.000 0.583 401 S N 1.030 116.606 115.700 -0.206 0.000 2.440 401 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 401 S C 2.352 176.633 174.600 -0.531 0.000 1.010 401 S CA 1.762 59.743 58.200 -0.366 0.000 0.972 401 S CB -0.547 62.419 63.200 -0.390 0.000 0.774 401 S HN 0.732 nan 8.310 nan 0.000 0.501 402 S N 0.333 115.538 115.700 -0.824 0.000 2.515 402 S HA 0.152 4.622 4.470 -0.000 0.000 0.231 402 S C 0.778 174.811 174.600 -0.945 0.000 0.987 402 S CA 0.015 57.485 58.200 -1.216 0.000 0.936 402 S CB -0.739 61.525 63.200 -1.559 0.000 0.766 402 S HN 0.513 nan 8.310 nan 0.000 0.528 403 F N 1.673 121.301 119.950 -0.537 0.000 2.647 403 F HA 0.438 4.965 4.527 -0.000 0.000 0.300 403 F C 0.642 176.094 175.800 -0.581 0.000 1.106 403 F CA -0.504 57.187 58.000 -0.515 0.000 1.313 403 F CB -0.017 38.775 39.000 -0.346 0.000 1.007 403 F HN -0.007 nan 8.300 nan 0.000 0.536 404 E N -1.176 118.773 120.200 -0.419 0.000 3.170 404 E HA -0.294 4.055 4.350 -0.000 0.000 0.284 404 E C 0.327 176.851 176.600 -0.126 0.000 0.967 404 E CA 0.470 56.666 56.400 -0.341 0.000 0.919 404 E CB -1.944 27.445 29.700 -0.519 0.000 1.469 404 E HN 0.391 nan 8.360 nan 0.000 0.444 405 C N 1.258 120.542 119.300 -0.027 0.000 2.638 405 C HA 0.053 4.513 4.460 -0.000 0.000 0.410 405 C C 1.994 177.150 174.990 0.278 0.000 1.404 405 C CA 0.259 59.370 59.018 0.154 0.000 1.651 405 C CB -0.217 27.687 27.740 0.274 0.000 2.495 405 C HN 0.345 nan 8.230 nan 0.000 0.606 406 Q N 2.097 122.103 119.800 0.343 0.000 2.488 406 Q HA -0.042 4.298 4.340 -0.000 0.000 0.211 406 Q C 0.487 176.836 176.000 0.581 0.000 0.967 406 Q CA 0.929 57.005 55.803 0.455 0.000 0.926 406 Q CB 0.119 29.091 28.738 0.389 0.000 0.992 406 Q HN 0.900 nan 8.270 nan 0.000 0.506 407 E N 0.016 120.531 120.200 0.524 0.000 2.222 407 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 407 E C -2.816 173.942 176.600 0.264 0.000 0.884 407 E CA -2.724 53.857 56.400 0.302 0.000 0.764 407 E CB 1.776 31.677 29.700 0.334 0.000 1.169 407 E HN -0.233 nan 8.360 nan 0.000 0.413 408 P HA 0.235 nan 4.420 nan 0.000 0.274 408 P C 0.586 177.836 177.300 -0.082 0.000 1.246 408 P CA 0.602 63.578 63.100 -0.206 0.000 0.795 408 P CB 0.824 32.181 31.700 -0.572 0.000 1.006 409 G N -1.924 106.799 108.800 -0.129 0.000 2.213 409 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 409 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 409 G C -0.628 174.050 174.900 -0.369 0.000 0.992 409 G CA -0.642 44.342 45.100 -0.193 0.000 0.632 409 G HN 0.373 nan 8.290 nan 0.000 0.511 410 W N -0.051 120.971 121.300 -0.464 0.000 2.438 410 W HA 0.778 5.438 4.660 -0.000 0.000 0.324 410 W C -0.167 175.703 176.519 -1.081 0.000 1.119 410 W CA -0.715 56.144 57.345 -0.811 0.000 1.221 410 W CB 0.754 29.399 29.460 -1.359 0.000 1.253 410 W HN -0.002 nan 8.180 nan 0.000 0.555 411 F N 1.594 121.275 119.950 -0.448 0.000 2.569 411 F HA 0.406 4.933 4.527 -0.000 0.000 0.312 411 F C 0.128 175.849 175.800 -0.131 0.000 1.109 411 F CA -1.431 56.426 58.000 -0.238 0.000 0.919 411 F CB 1.756 40.736 39.000 -0.033 0.000 1.211 411 F HN 0.109 nan 8.300 nan 0.000 0.446 412 R N 2.206 122.781 120.500 0.126 0.000 2.265 412 R HA 0.698 5.038 4.340 -0.000 0.000 0.314 412 R C -1.669 174.736 176.300 0.174 0.000 1.053 412 R CA -0.309 55.865 56.100 0.124 0.000 0.931 412 R CB 0.981 31.150 30.300 -0.218 0.000 1.024 412 R HN 0.553 nan 8.270 nan 0.000 0.457 413 V N 5.387 125.418 119.914 0.196 0.000 2.349 413 V HA 0.206 4.326 4.120 -0.000 0.000 0.284 413 V C -0.226 175.838 176.094 -0.051 0.000 1.014 413 V CA -0.932 61.449 62.300 0.134 0.000 0.826 413 V CB 1.377 33.346 31.823 0.243 0.000 1.009 413 V HN 0.877 nan 8.190 nan 0.000 0.431 414 C N 6.418 125.663 119.300 -0.091 0.000 2.566 414 C HA 0.348 4.808 4.460 -0.000 0.000 0.393 414 C C 1.027 175.817 174.990 -0.334 0.000 1.309 414 C CA -0.419 58.455 59.018 -0.241 0.000 1.801 414 C CB -1.162 26.554 27.740 -0.039 0.000 2.493 414 C HN 0.880 nan 8.230 nan 0.000 0.575 415 F N 0.218 120.062 119.950 -0.177 0.000 2.735 415 F HA 0.543 5.070 4.527 -0.000 0.000 0.304 415 F C 0.929 176.638 175.800 -0.151 0.000 1.119 415 F CA -0.804 57.014 58.000 -0.302 0.000 1.280 415 F CB -0.741 37.914 39.000 -0.576 0.000 0.994 415 F HN 0.442 nan 8.300 nan 0.000 0.520 416 A N 0.897 123.742 122.820 0.042 0.000 2.503 416 A HA 0.218 4.538 4.320 -0.000 0.000 0.263 416 A C 1.411 179.026 177.584 0.053 0.000 1.258 416 A CA 0.267 52.360 52.037 0.093 0.000 0.936 416 A CB -0.483 18.558 19.000 0.069 0.000 1.070 416 A HN 0.422 nan 8.150 nan 0.000 0.522 417 N N -0.332 118.387 118.700 0.031 0.000 2.227 417 N HA 0.072 4.812 4.740 -0.000 0.000 0.196 417 N C 0.735 176.269 175.510 0.040 0.000 1.142 417 N CA 0.167 53.239 53.050 0.036 0.000 0.887 417 N CB -0.164 38.341 38.487 0.029 0.000 1.022 417 N HN 0.496 nan 8.380 nan 0.000 0.500 418 M N -0.039 119.581 119.600 0.033 0.000 2.705 418 M HA 0.521 5.000 4.480 -0.000 0.000 0.272 418 M C -0.986 175.345 176.300 0.052 0.000 1.172 418 M CA -0.229 55.098 55.300 0.045 0.000 0.901 418 M CB 0.153 32.767 32.600 0.022 0.000 1.516 418 M HN -0.336 nan 8.290 nan 0.000 0.530 419 D N 0.918 121.356 120.400 0.064 0.000 2.387 419 D HA 0.224 4.864 4.640 -0.000 0.000 0.251 419 D C 0.572 176.911 176.300 0.064 0.000 1.141 419 D CA -0.272 53.765 54.000 0.063 0.000 0.987 419 D CB 0.798 41.641 40.800 0.071 0.000 1.116 419 D HN 0.453 nan 8.370 nan 0.000 0.491 420 D N 0.529 120.969 120.400 0.066 0.000 2.178 420 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 420 D C 1.843 178.200 176.300 0.096 0.000 0.974 420 D CA 0.804 54.858 54.000 0.090 0.000 0.841 420 D CB 0.032 40.873 40.800 0.069 0.000 0.953 420 D HN 0.539 nan 8.370 nan 0.000 0.478 421 G N 0.519 109.366 108.800 0.079 0.000 2.404 421 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 421 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 421 G C 1.703 176.647 174.900 0.073 0.000 1.174 421 G CA 1.337 46.487 45.100 0.082 0.000 0.780 421 G HN 0.212 nan 8.290 nan 0.000 0.537 422 T N 1.117 115.710 114.554 0.065 0.000 2.746 422 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 422 T C 2.529 177.184 174.700 -0.075 0.000 1.039 422 T CA 1.218 63.296 62.100 -0.036 0.000 1.142 422 T CB -0.304 68.548 68.868 -0.027 0.000 0.866 422 T HN 0.065 nan 8.240 nan 0.000 0.444 423 V N 2.317 122.227 119.914 -0.007 0.000 2.407 423 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 423 V C 2.349 178.464 176.094 0.034 0.000 1.055 423 V CA 1.680 63.988 62.300 0.013 0.000 1.049 423 V CB -0.547 31.300 31.823 0.040 0.000 0.662 423 V HN 0.463 nan 8.190 nan 0.000 0.455 424 D N -0.140 120.287 120.400 0.044 0.000 2.149 424 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 424 D C 2.128 178.436 176.300 0.013 0.000 0.972 424 D CA 1.120 55.144 54.000 0.040 0.000 0.835 424 D CB -0.009 40.846 40.800 0.093 0.000 0.966 424 D HN 0.405 nan 8.370 nan 0.000 0.476 425 I N 1.552 122.117 120.570 -0.008 0.000 2.179 425 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 425 I C 2.608 178.691 176.117 -0.057 0.000 1.088 425 I CA 1.108 62.387 61.300 -0.036 0.000 1.357 425 I CB -0.240 37.705 38.000 -0.092 0.000 1.051 425 I HN -0.086 nan 8.210 nan 0.000 0.409 426 A N 0.804 123.577 122.820 -0.078 0.000 1.908 426 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 426 A C 2.307 179.912 177.584 0.034 0.000 1.181 426 A CA 1.512 53.525 52.037 -0.041 0.000 0.627 426 A CB -0.889 18.094 19.000 -0.029 0.000 0.818 426 A HN 0.392 nan 8.150 nan 0.000 0.445 427 L N -0.930 120.324 121.223 0.052 0.000 2.093 427 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 427 L C 3.118 179.978 176.870 -0.016 0.000 1.085 427 L CA 0.944 55.788 54.840 0.006 0.000 0.755 427 L CB -0.539 41.482 42.059 -0.063 0.000 0.904 427 L HN 0.454 nan 8.230 nan 0.000 0.435 428 A N 0.396 123.212 122.820 -0.008 0.000 1.865 428 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 428 A C 2.351 179.939 177.584 0.005 0.000 1.191 428 A CA 1.701 53.736 52.037 -0.003 0.000 0.623 428 A CB -0.552 18.450 19.000 0.004 0.000 0.826 428 A HN 0.335 nan 8.150 nan 0.000 0.444 429 R N -0.548 119.954 120.500 0.003 0.000 2.117 429 R HA -0.116 4.224 4.340 -0.000 0.000 0.243 429 R C 1.974 178.301 176.300 0.045 0.000 1.143 429 R CA 1.674 57.780 56.100 0.010 0.000 0.968 429 R CB -0.571 29.717 30.300 -0.021 0.000 0.863 429 R HN 0.607 nan 8.270 nan 0.000 0.444 430 I N 0.017 120.612 120.570 0.042 0.000 2.286 430 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 430 I C 2.697 178.843 176.117 0.048 0.000 1.104 430 I CA 0.886 62.231 61.300 0.075 0.000 1.397 430 I CB -0.266 37.756 38.000 0.036 0.000 1.072 430 I HN 0.108 nan 8.210 nan 0.000 0.417 431 R N 0.956 121.458 120.500 0.002 0.000 2.159 431 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 431 R C 2.388 178.685 176.300 -0.004 0.000 1.131 431 R CA 1.303 57.390 56.100 -0.021 0.000 0.982 431 R CB 0.023 30.305 30.300 -0.029 0.000 0.868 431 R HN 0.329 nan 8.270 nan 0.000 0.453 432 R N -0.703 119.816 120.500 0.030 0.000 2.052 432 R HA -0.093 4.247 4.340 -0.000 0.000 0.224 432 R C 2.146 178.492 176.300 0.076 0.000 1.165 432 R CA 1.344 57.470 56.100 0.044 0.000 0.939 432 R CB -0.738 29.595 30.300 0.056 0.000 0.834 432 R HN 0.139 nan 8.270 nan 0.000 0.435 433 F N 1.999 121.922 119.950 -0.045 0.000 2.085 433 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 433 F C 2.000 177.769 175.800 -0.052 0.000 1.096 433 F CA 1.524 59.495 58.000 -0.049 0.000 1.227 433 F CB -0.557 38.407 39.000 -0.059 0.000 0.983 433 F HN -0.225 nan 8.300 nan 0.000 0.482 434 V N 0.314 120.108 119.914 -0.199 0.000 2.427 434 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 434 V C 2.777 178.744 176.094 -0.210 0.000 1.051 434 V CA 1.739 63.861 62.300 -0.297 0.000 1.048 434 V CB -1.679 30.044 31.823 -0.167 0.000 0.666 434 V HN 0.554 nan 8.190 nan 0.000 0.456 435 G N 0.247 108.977 108.800 -0.117 0.000 2.480 435 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 435 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 435 G C 0.985 175.829 174.900 -0.092 0.000 1.200 435 G CA 1.078 46.127 45.100 -0.084 0.000 0.782 435 G HN 0.444 nan 8.290 nan 0.000 0.554 436 V N 1.427 121.294 119.914 -0.078 0.000 2.052 436 V HA 0.282 4.402 4.120 -0.000 0.000 0.281 436 V C 0.492 176.510 176.094 -0.126 0.000 1.668 436 V CA 0.453 62.714 62.300 -0.065 0.000 1.621 436 V CB -0.001 31.819 31.823 -0.006 0.000 1.488 436 V HN 0.348 nan 8.190 nan 0.000 0.513 437 E N 1.236 121.333 120.200 -0.172 0.000 2.671 437 E HA 0.273 4.623 4.350 -0.000 0.000 0.204 437 E C 0.036 176.545 176.600 -0.153 0.000 0.940 437 E CA 0.021 56.288 56.400 -0.222 0.000 1.328 437 E CB 1.312 30.760 29.700 -0.419 0.000 1.214 437 E HN 0.648 nan 8.360 nan 0.000 0.624 438 K N 0.000 120.330 120.400 -0.117 0.000 2.780 438 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 438 K CA 0.000 56.234 56.287 -0.088 0.000 0.838 438 K CB 0.000 32.443 32.500 -0.095 0.000 1.064 438 K HN 0.000 nan 8.250 nan 0.000 0.543