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 3mmy_1_E DATA FIRST_RESID 4 DATA SEQUENCE FGTTSGFGTS GTSMFXXXXT DNHNPMKDIE VTSSPDDSIG CLSFSPPTLP DATA SEQUENCE GNFLIAGSWA NDVRCWEVQD SGQTIPKAQQ MHTGPVLDVC WSDDGSKVFT DATA SEQUENCE ASCDKTAKMW DLSSNQAIQI AQHDAPVKTI HWIKAPNYSC VMTGSWDKTL DATA SEQUENCE KFWDTRSSNP MMVLQLPERC YCADVIYPMA VVATAERGLI VYQLENQPSE DATA SEQUENCE FRRIESPLKH QHRCVAIFKD KQNKPTGFAL GSIEGRVAIH YINPPNPAKD DATA SEQUENCE NFTFKCHRSN XXXXSAPQDI YAVNGIAFHP VHGTLATVGS DGRFSFWDKD DATA SEQUENCE ARTKLKTSEQ LDQPISACCF NHNGNIFAYA SSYDWSKGHE FYNPQKKNYI DATA SEQUENCE FLRNAAEELK PR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.802 175.800 0.004 0.000 0.967 4 F CA 0.000 58.003 58.000 0.005 0.000 1.383 4 F CB 0.000 39.005 39.000 0.009 0.000 1.145 5 G N 0.970 109.823 108.800 0.089 0.000 2.306 5 G HA2 0.322 4.283 3.960 0.001 0.000 0.262 5 G HA3 0.322 4.283 3.960 0.001 0.000 0.262 5 G C -1.376 173.528 174.900 0.008 0.000 1.263 5 G CA -0.359 44.775 45.100 0.058 0.000 1.088 5 G HN 0.631 nan 8.290 nan 0.000 0.489 6 T N -1.545 113.008 114.554 -0.002 0.000 2.876 6 T HA 0.606 4.956 4.350 0.001 0.000 0.289 6 T C 1.392 176.058 174.700 -0.056 0.000 1.014 6 T CA 1.179 63.263 62.100 -0.027 0.000 0.986 6 T CB 1.662 70.518 68.868 -0.020 0.000 1.021 6 T HN 1.370 nan 8.240 nan 0.000 0.458 7 T N 2.531 117.046 114.554 -0.065 0.000 2.668 7 T HA 0.087 4.438 4.350 0.001 0.000 0.262 7 T C 0.521 175.138 174.700 -0.139 0.000 1.045 7 T CA 1.147 63.194 62.100 -0.088 0.000 1.152 7 T CB -0.198 68.631 68.868 -0.065 0.000 0.864 7 T HN 0.542 nan 8.240 nan 0.000 0.419 8 S N -0.344 115.277 115.700 -0.131 0.000 2.552 8 S HA 0.623 5.093 4.470 0.001 0.000 0.314 8 S C 0.429 174.943 174.600 -0.143 0.000 1.099 8 S CA -0.500 57.584 58.200 -0.193 0.000 1.070 8 S CB 1.693 64.813 63.200 -0.133 0.000 0.998 8 S HN 0.534 nan 8.310 nan 0.000 0.474 9 G N 0.767 109.452 108.800 -0.192 0.000 3.443 9 G HA2 0.201 4.162 3.960 0.001 0.000 0.252 9 G HA3 0.201 4.162 3.960 0.001 0.000 0.252 9 G C 0.384 175.390 174.900 0.176 0.000 1.015 9 G CA -0.219 44.877 45.100 -0.006 0.000 0.891 9 G HN 0.582 nan 8.290 nan 0.000 0.510 10 F N 1.859 121.830 119.950 0.035 0.000 2.325 10 F HA 0.240 4.767 4.527 0.001 0.000 0.299 10 F C 2.123 177.945 175.800 0.037 0.000 1.090 10 F CA 0.231 58.256 58.000 0.042 0.000 1.392 10 F CB -0.857 38.178 39.000 0.058 0.000 1.053 10 F HN 0.287 nan 8.300 nan 0.000 0.521 11 G N 0.110 109.033 108.800 0.206 0.000 2.601 11 G HA2 -0.243 3.718 3.960 0.001 0.000 0.261 11 G HA3 -0.243 3.718 3.960 0.001 0.000 0.261 11 G C -0.301 174.674 174.900 0.125 0.000 1.289 11 G CA 0.016 45.191 45.100 0.124 0.000 0.920 11 G HN 0.318 nan 8.290 nan 0.000 0.571 12 T N 0.116 114.719 114.554 0.081 0.000 2.916 12 T HA 0.622 4.972 4.350 0.001 0.000 0.298 12 T C -0.020 174.704 174.700 0.039 0.000 1.031 12 T CA 0.171 62.307 62.100 0.060 0.000 0.993 12 T CB 1.802 70.695 68.868 0.042 0.000 1.045 12 T HN 0.790 nan 8.240 nan 0.000 0.454 13 S N 1.285 117.001 115.700 0.028 0.000 2.565 13 S HA 0.641 5.111 4.470 0.001 0.000 0.276 13 S C 0.578 175.178 174.600 0.000 0.000 1.326 13 S CA -0.563 57.644 58.200 0.012 0.000 1.045 13 S CB 0.636 63.837 63.200 0.002 0.000 0.918 13 S HN 0.885 nan 8.310 nan 0.000 0.505 14 G N 0.878 109.677 108.800 -0.003 0.000 2.432 14 G HA2 0.561 4.521 3.960 0.001 0.000 0.331 14 G HA3 0.561 4.521 3.960 0.001 0.000 0.331 14 G C -0.726 174.163 174.900 -0.019 0.000 1.170 14 G CA -0.455 44.636 45.100 -0.015 0.000 0.943 14 G HN 0.602 nan 8.290 nan 0.000 0.483 15 T N -0.689 113.845 114.554 -0.033 0.000 2.895 15 T HA 0.510 4.860 4.350 0.001 0.000 0.283 15 T C 0.730 175.397 174.700 -0.056 0.000 1.014 15 T CA -0.282 61.798 62.100 -0.034 0.000 1.037 15 T CB 1.136 69.983 68.868 -0.036 0.000 1.006 15 T HN 0.692 nan 8.240 nan 0.000 0.468 16 S N 3.647 119.321 115.700 -0.043 0.000 2.573 16 S HA -0.002 4.468 4.470 0.001 0.000 0.297 16 S C 1.738 176.218 174.600 -0.201 0.000 1.280 16 S CA -0.082 58.072 58.200 -0.075 0.000 1.061 16 S CB -0.075 63.134 63.200 0.016 0.000 0.812 16 S HN 0.774 nan 8.310 nan 0.000 0.500 17 M N 3.754 123.084 119.600 -0.449 0.000 2.446 17 M HA 0.019 4.499 4.480 0.001 0.000 0.263 17 M C -0.458 175.378 176.300 -0.775 0.000 1.066 17 M CA 1.229 56.085 55.300 -0.740 0.000 1.087 17 M CB -0.124 31.777 32.600 -1.164 0.000 1.406 17 M HN 0.612 nan 8.290 nan 0.000 0.459 24 D N 0.629 121.070 120.400 0.069 0.000 2.384 24 D HA 0.530 5.170 4.640 0.001 0.000 0.250 24 D C 0.463 176.802 176.300 0.064 0.000 1.029 24 D CA -0.517 53.543 54.000 0.101 0.000 0.990 24 D CB 1.421 42.340 40.800 0.198 0.000 1.175 24 D HN 0.042 nan 8.370 nan 0.000 0.532 25 N N -0.506 118.234 118.700 0.067 0.000 2.273 25 N HA -0.025 4.715 4.740 0.001 0.000 0.231 25 N C 0.926 176.440 175.510 0.006 0.000 1.134 25 N CA -0.027 53.026 53.050 0.005 0.000 0.856 25 N CB -0.025 38.466 38.487 0.008 0.000 1.068 25 N HN 0.418 nan 8.380 nan 0.000 0.510 26 H N -1.973 117.077 119.070 -0.032 0.000 2.470 26 H HA 0.093 4.649 4.556 0.001 0.000 0.289 26 H C -0.254 174.992 175.328 -0.138 0.000 1.033 26 H CA 0.741 56.766 56.048 -0.038 0.000 1.331 26 H CB 0.284 30.011 29.762 -0.058 0.000 1.414 26 H HN 0.080 nan 8.280 nan 0.000 0.545 27 N N 1.268 119.456 118.700 -0.853 0.000 2.697 27 N HA 0.134 4.874 4.740 0.001 0.000 0.253 27 N C -2.149 173.028 175.510 -0.556 0.000 1.604 27 N CA -1.551 50.940 53.050 -0.933 0.000 0.772 27 N CB 0.955 38.741 38.487 -1.169 0.000 1.267 27 N HN 0.066 nan 8.380 nan 0.000 0.510 28 P HA -0.040 nan 4.420 nan 0.000 0.226 28 P C 1.078 178.256 177.300 -0.204 0.000 1.153 28 P CA 0.681 63.639 63.100 -0.237 0.000 0.777 28 P CB 0.320 31.910 31.700 -0.182 0.000 0.794 29 M N -0.838 118.633 119.600 -0.216 0.000 2.541 29 M HA 0.070 4.550 4.480 0.001 0.000 0.252 29 M C 0.620 176.863 176.300 -0.096 0.000 1.125 29 M CA 0.336 55.570 55.300 -0.109 0.000 1.091 29 M CB -1.004 31.608 32.600 0.020 0.000 1.420 29 M HN -0.046 nan 8.290 nan 0.000 0.486 30 K N 1.606 121.890 120.400 -0.193 0.000 3.148 30 K HA -0.155 4.165 4.320 0.001 0.000 0.267 30 K C -0.678 175.875 176.600 -0.078 0.000 0.996 30 K CA 0.282 56.478 56.287 -0.152 0.000 0.737 30 K CB -1.386 31.063 32.500 -0.085 0.000 1.308 30 K HN 0.341 nan 8.250 nan 0.000 0.470 31 D N 0.412 120.742 120.400 -0.117 0.000 2.377 31 D HA 0.156 4.796 4.640 0.001 0.000 0.245 31 D C 1.056 177.371 176.300 0.026 0.000 1.196 31 D CA -0.326 53.688 54.000 0.024 0.000 0.962 31 D CB 0.596 41.463 40.800 0.112 0.000 1.127 31 D HN 0.011 nan 8.370 nan 0.000 0.471 32 I N 1.208 121.773 120.570 -0.010 0.000 2.710 32 I HA -0.080 4.090 4.170 0.001 0.000 0.286 32 I C 0.814 176.938 176.117 0.012 0.000 1.181 32 I CA 0.599 61.826 61.300 -0.121 0.000 1.430 32 I CB -0.024 37.674 38.000 -0.503 0.000 1.367 32 I HN 0.157 nan 8.210 nan 0.000 0.577 33 E N 5.063 125.277 120.200 0.024 0.000 2.156 33 E HA 0.320 4.670 4.350 0.001 0.000 0.279 33 E C -0.736 175.790 176.600 -0.122 0.000 0.965 33 E CA -0.770 55.645 56.400 0.025 0.000 0.789 33 E CB 2.037 31.832 29.700 0.159 0.000 1.098 33 E HN 0.269 nan 8.360 nan 0.000 0.397 34 V N 3.241 122.995 119.914 -0.267 0.000 2.599 34 V HA -0.023 4.098 4.120 0.001 0.000 0.300 34 V C 0.843 176.782 176.094 -0.260 0.000 1.034 34 V CA -0.025 62.034 62.300 -0.403 0.000 1.115 34 V CB 0.466 31.814 31.823 -0.792 0.000 0.934 34 V HN 0.794 nan 8.190 nan 0.000 0.485 35 T N 1.583 116.051 114.554 -0.144 0.000 2.907 35 T HA 0.309 4.659 4.350 0.001 0.000 0.298 35 T C 0.374 175.176 174.700 0.171 0.000 1.017 35 T CA 0.029 62.145 62.100 0.028 0.000 1.118 35 T CB 0.904 69.823 68.868 0.086 0.000 0.948 35 T HN 0.984 nan 8.240 nan 0.000 0.531 36 S N 1.084 116.871 115.700 0.145 0.000 3.667 36 S HA -0.134 4.336 4.470 0.001 0.000 0.405 36 S C 0.578 175.357 174.600 0.299 0.000 0.913 36 S CA 0.390 58.710 58.200 0.199 0.000 1.288 36 S CB -2.251 61.087 63.200 0.230 0.000 0.905 36 S HN 1.480 nan 8.310 nan 0.000 0.550 37 S N 0.609 116.378 115.700 0.116 0.000 2.614 37 S HA 0.631 5.101 4.470 0.001 0.000 0.265 37 S C -2.016 172.662 174.600 0.131 0.000 1.303 37 S CA -1.405 56.852 58.200 0.095 0.000 1.000 37 S CB 0.203 63.314 63.200 -0.147 0.000 0.935 37 S HN 0.229 nan 8.310 nan 0.000 0.551 38 P HA 0.166 nan 4.420 nan 0.000 0.268 38 P C -0.080 177.251 177.300 0.053 0.000 1.208 38 P CA -0.160 63.012 63.100 0.121 0.000 0.777 38 P CB 0.278 32.065 31.700 0.144 0.000 0.875 39 D N -0.158 120.274 120.400 0.054 0.000 2.349 39 D HA 0.020 4.661 4.640 0.001 0.000 0.215 39 D C 0.194 176.544 176.300 0.082 0.000 1.016 39 D CA 1.148 55.174 54.000 0.042 0.000 0.870 39 D CB 0.248 41.069 40.800 0.035 0.000 0.917 39 D HN 0.358 nan 8.370 nan 0.000 0.524 40 D N -1.249 119.224 120.400 0.121 0.000 2.610 40 D HA 0.184 4.824 4.640 0.001 0.000 0.271 40 D C -0.751 175.671 176.300 0.205 0.000 1.174 40 D CA -0.544 53.573 54.000 0.195 0.000 0.949 40 D CB 1.613 42.553 40.800 0.235 0.000 1.430 40 D HN -0.332 nan 8.370 nan 0.000 0.467 41 S N 0.222 116.070 115.700 0.246 0.000 2.558 41 S HA 0.137 4.607 4.470 0.001 0.000 0.293 41 S C 0.407 175.165 174.600 0.264 0.000 1.292 41 S CA -0.024 58.302 58.200 0.210 0.000 1.063 41 S CB -0.059 63.202 63.200 0.102 0.000 0.831 41 S HN 0.225 nan 8.310 nan 0.000 0.499 42 I N 2.534 123.221 120.570 0.194 0.000 2.325 42 I HA 0.281 4.451 4.170 0.001 0.000 0.291 42 I C 1.426 177.669 176.117 0.211 0.000 1.019 42 I CA -0.103 61.307 61.300 0.183 0.000 1.302 42 I CB 1.132 39.194 38.000 0.103 0.000 1.401 42 I HN 0.838 nan 8.210 nan 0.000 0.485 43 G N 5.277 114.220 108.800 0.238 0.000 2.545 43 G HA2 0.083 4.044 3.960 0.001 0.000 0.212 43 G HA3 0.083 4.044 3.960 0.001 0.000 0.212 43 G C 0.240 175.220 174.900 0.134 0.000 1.144 43 G CA 0.449 45.687 45.100 0.230 0.000 0.813 43 G HN 0.700 nan 8.290 nan 0.000 0.531 44 C N -1.322 118.037 119.300 0.099 0.000 3.171 44 C HA 0.832 5.292 4.460 0.001 0.000 0.336 44 C C -0.947 174.093 174.990 0.082 0.000 1.198 44 C CA -1.675 57.392 59.018 0.083 0.000 1.319 44 C CB 0.861 28.631 27.740 0.050 0.000 1.682 44 C HN 0.118 nan 8.230 nan 0.000 0.497 45 L N 1.974 123.249 121.223 0.087 0.000 2.422 45 L HA 0.858 5.199 4.340 0.001 0.000 0.264 45 L C -0.173 176.772 176.870 0.124 0.000 0.984 45 L CA -0.247 54.636 54.840 0.071 0.000 0.819 45 L CB 2.021 44.085 42.059 0.008 0.000 1.330 45 L HN 0.931 nan 8.230 nan 0.000 0.410 46 S N 1.300 117.090 115.700 0.149 0.000 2.592 46 S HA 0.610 5.081 4.470 0.001 0.000 0.275 46 S C -1.337 173.502 174.600 0.399 0.000 1.169 46 S CA -0.438 57.946 58.200 0.307 0.000 0.958 46 S CB 0.784 64.209 63.200 0.374 0.000 1.095 46 S HN 0.372 nan 8.310 nan 0.000 0.471 47 F N 3.274 123.419 119.950 0.326 0.000 2.379 47 F HA 0.414 4.941 4.527 0.001 0.000 0.332 47 F C 1.346 177.016 175.800 -0.217 0.000 1.096 47 F CA -0.215 57.891 58.000 0.178 0.000 1.105 47 F CB 1.486 40.554 39.000 0.114 0.000 1.189 47 F HN 0.677 nan 8.300 nan 0.000 0.515 48 S N 3.976 119.421 115.700 -0.425 0.000 2.558 48 S HA 0.137 4.607 4.470 0.001 0.000 0.287 48 S C -2.485 171.788 174.600 -0.545 0.000 1.321 48 S CA -1.245 56.145 58.200 -1.350 0.000 1.048 48 S CB -0.004 62.633 63.200 -0.937 0.000 0.844 48 S HN 0.329 nan 8.310 nan 0.000 0.512 49 P HA 0.248 nan 4.420 nan 0.000 0.274 49 P C -2.028 175.113 177.300 -0.266 0.000 1.246 49 P CA -1.815 61.164 63.100 -0.202 0.000 0.795 49 P CB -0.154 31.484 31.700 -0.103 0.000 1.006 50 P HA -0.112 nan 4.420 nan 0.000 0.228 50 P C 1.237 178.321 177.300 -0.360 0.000 1.151 50 P CA 1.408 64.093 63.100 -0.692 0.000 0.770 50 P CB -0.759 30.618 31.700 -0.537 0.000 0.786 51 T N -3.211 111.220 114.554 -0.205 0.000 2.995 51 T HA 0.026 4.376 4.350 0.001 0.000 0.269 51 T C 0.975 175.611 174.700 -0.107 0.000 1.091 51 T CA 0.252 62.279 62.100 -0.122 0.000 1.128 51 T CB -0.450 68.376 68.868 -0.070 0.000 0.891 51 T HN 0.036 nan 8.240 nan 0.000 0.492 52 L N 3.345 124.492 121.223 -0.127 0.000 2.276 52 L HA 0.384 4.724 4.340 0.001 0.000 0.286 52 L C -2.151 174.721 176.870 0.003 0.000 1.061 52 L CA -2.442 52.366 54.840 -0.053 0.000 0.807 52 L CB 1.138 43.162 42.059 -0.058 0.000 1.177 52 L HN 0.059 nan 8.230 nan 0.000 0.429 53 P HA 0.233 nan 4.420 nan 0.000 0.271 53 P C 0.155 177.542 177.300 0.144 0.000 1.216 53 P CA 0.340 63.481 63.100 0.068 0.000 0.776 53 P CB 1.095 32.824 31.700 0.048 0.000 0.881 54 G N 2.729 111.574 108.800 0.074 0.000 2.782 54 G HA2 -0.170 3.790 3.960 0.001 0.000 0.228 54 G HA3 -0.170 3.790 3.960 0.001 0.000 0.228 54 G C -1.065 173.798 174.900 -0.061 0.000 1.372 54 G CA -0.781 44.302 45.100 -0.028 0.000 0.862 54 G HN 0.669 nan 8.290 nan 0.000 0.547 55 N N -0.348 118.204 118.700 -0.247 0.000 2.354 55 N HA 0.663 5.403 4.740 0.001 0.000 0.287 55 N C -1.287 174.064 175.510 -0.265 0.000 1.016 55 N CA -0.219 52.784 53.050 -0.078 0.000 0.871 55 N CB 1.397 39.905 38.487 0.034 0.000 1.299 55 N HN 0.341 nan 8.380 nan 0.000 0.482 56 F N 1.362 121.465 119.950 0.255 0.000 2.507 56 F HA 0.440 4.968 4.527 0.001 0.000 0.325 56 F C -0.003 175.981 175.800 0.306 0.000 1.116 56 F CA -0.973 57.190 58.000 0.272 0.000 0.930 56 F CB 1.672 40.816 39.000 0.240 0.000 1.146 56 F HN 0.182 nan 8.300 nan 0.000 0.447 57 L N 4.908 126.341 121.223 0.351 0.000 2.317 57 L HA 0.664 5.004 4.340 0.001 0.000 0.281 57 L C -1.160 175.928 176.870 0.364 0.000 1.024 57 L CA -0.500 54.366 54.840 0.043 0.000 0.810 57 L CB 0.907 42.760 42.059 -0.344 0.000 1.240 57 L HN 0.352 nan 8.230 nan 0.000 0.427 58 I N 4.363 125.109 120.570 0.292 0.000 2.441 58 I HA 0.723 4.894 4.170 0.001 0.000 0.295 58 I C -0.045 176.219 176.117 0.244 0.000 0.994 58 I CA -0.631 60.813 61.300 0.241 0.000 1.144 58 I CB 1.237 39.285 38.000 0.081 0.000 1.314 58 I HN 0.769 nan 8.210 nan 0.000 0.445 59 A N 4.124 127.128 122.820 0.307 0.000 2.422 59 A HA 0.861 5.181 4.320 0.001 0.000 0.302 59 A C -0.209 177.464 177.584 0.147 0.000 1.041 59 A CA -0.505 51.680 52.037 0.246 0.000 0.708 59 A CB 1.728 20.950 19.000 0.370 0.000 1.257 59 A HN 0.813 nan 8.150 nan 0.000 0.414 60 G N 0.382 109.232 108.800 0.083 0.000 2.420 60 G HA2 0.649 4.609 3.960 0.001 0.000 0.331 60 G HA3 0.649 4.609 3.960 0.001 0.000 0.331 60 G C -0.171 174.748 174.900 0.031 0.000 1.168 60 G CA 0.214 45.322 45.100 0.013 0.000 0.936 60 G HN 1.668 nan 8.290 nan 0.000 0.479 61 S N -0.239 115.458 115.700 -0.005 0.000 2.661 61 S HA 0.382 4.853 4.470 0.001 0.000 0.285 61 S C -0.438 174.151 174.600 -0.019 0.000 1.138 61 S CA -0.877 57.367 58.200 0.075 0.000 0.855 61 S CB 1.222 64.490 63.200 0.115 0.000 1.136 61 S HN 0.564 nan 8.310 nan 0.000 0.484 62 W N 0.987 122.266 121.300 -0.034 0.000 3.096 62 W HA 0.385 5.046 4.660 0.001 0.000 0.241 62 W C 1.723 178.216 176.519 -0.044 0.000 1.316 62 W CA 0.282 57.588 57.345 -0.065 0.000 1.520 62 W CB -0.386 29.017 29.460 -0.094 0.000 1.128 62 W HN 0.861 nan 8.180 nan 0.000 0.707 63 A N 0.398 123.278 122.820 0.099 0.000 2.387 63 A HA 0.158 4.479 4.320 0.001 0.000 0.234 63 A C 0.949 178.516 177.584 -0.027 0.000 1.253 63 A CA 0.370 52.437 52.037 0.050 0.000 0.894 63 A CB -0.307 18.730 19.000 0.061 0.000 0.963 63 A HN 0.249 nan 8.150 nan 0.000 0.508 64 N N -0.153 118.495 118.700 -0.088 0.000 2.984 64 N HA -0.129 4.611 4.740 0.001 0.000 0.227 64 N C -0.666 174.785 175.510 -0.099 0.000 0.903 64 N CA 1.488 54.467 53.050 -0.118 0.000 0.995 64 N CB -1.529 36.904 38.487 -0.090 0.000 1.065 64 N HN 0.828 nan 8.380 nan 0.000 0.585 65 D N 0.029 120.373 120.400 -0.093 0.000 2.229 65 D HA 0.579 5.219 4.640 0.001 0.000 0.249 65 D C 0.119 176.352 176.300 -0.112 0.000 1.027 65 D CA -0.614 53.315 54.000 -0.119 0.000 0.923 65 D CB 1.598 42.331 40.800 -0.111 0.000 1.174 65 D HN -0.072 nan 8.370 nan 0.000 0.443 66 V N 1.049 120.857 119.914 -0.178 0.000 2.495 66 V HA 0.523 4.643 4.120 0.001 0.000 0.298 66 V C 0.232 176.235 176.094 -0.151 0.000 1.031 66 V CA -0.879 61.346 62.300 -0.125 0.000 0.871 66 V CB 1.362 33.105 31.823 -0.134 0.000 0.988 66 V HN 0.456 nan 8.190 nan 0.000 0.432 67 R N 2.210 122.659 120.500 -0.085 0.000 2.803 67 R HA 0.730 5.070 4.340 0.001 0.000 0.276 67 R C -1.290 174.835 176.300 -0.291 0.000 0.978 67 R CA -0.528 55.394 56.100 -0.298 0.000 0.939 67 R CB 2.194 32.080 30.300 -0.691 0.000 1.179 67 R HN 0.711 nan 8.270 nan 0.000 0.472 68 C N 2.731 121.817 119.300 -0.356 0.000 2.408 68 C HA 0.685 5.145 4.460 0.001 0.000 0.321 68 C C -1.044 173.766 174.990 -0.301 0.000 1.245 68 C CA -0.473 58.440 59.018 -0.174 0.000 1.523 68 C CB 0.557 28.227 27.740 -0.117 0.000 2.178 68 C HN 0.807 nan 8.230 nan 0.000 0.488 69 W N 3.798 125.194 121.300 0.160 0.000 2.736 69 W HA 0.394 5.055 4.660 0.001 0.000 0.335 69 W C -0.159 176.484 176.519 0.206 0.000 1.059 69 W CA -0.456 56.975 57.345 0.144 0.000 1.226 69 W CB 1.398 30.894 29.460 0.060 0.000 1.416 69 W HN 0.714 nan 8.180 nan 0.000 0.505 70 E N 1.590 122.016 120.200 0.377 0.000 2.289 70 E HA 0.326 4.676 4.350 0.001 0.000 0.278 70 E C -1.106 175.528 176.600 0.057 0.000 1.032 70 E CA -0.128 56.300 56.400 0.047 0.000 0.854 70 E CB 1.266 30.991 29.700 0.042 0.000 1.046 70 E HN 0.149 nan 8.360 nan 0.000 0.409 71 V N 5.506 125.405 119.914 -0.025 0.000 2.347 71 V HA 0.179 4.299 4.120 0.001 0.000 0.280 71 V C -0.083 176.035 176.094 0.041 0.000 1.021 71 V CA -0.646 61.704 62.300 0.083 0.000 0.847 71 V CB 1.250 33.224 31.823 0.252 0.000 0.990 71 V HN 0.753 nan 8.190 nan 0.000 0.444 72 Q N 2.128 121.970 119.800 0.069 0.000 2.221 72 Q HA 0.247 4.588 4.340 0.001 0.000 0.242 72 Q C 0.375 176.475 176.000 0.167 0.000 0.940 72 Q CA -0.759 55.089 55.803 0.076 0.000 0.896 72 Q CB 1.294 30.070 28.738 0.063 0.000 1.226 72 Q HN 0.618 nan 8.270 nan 0.000 0.463 73 D N 0.305 120.782 120.400 0.129 0.000 2.190 73 D HA -0.168 4.472 4.640 0.001 0.000 0.200 73 D C 1.740 178.194 176.300 0.257 0.000 0.992 73 D CA 1.817 55.901 54.000 0.140 0.000 0.854 73 D CB -0.130 40.706 40.800 0.060 0.000 0.936 73 D HN 0.558 nan 8.370 nan 0.000 0.462 74 S N -1.128 114.704 115.700 0.220 0.000 2.515 74 S HA 0.141 4.611 4.470 0.001 0.000 0.231 74 S C 1.839 176.600 174.600 0.267 0.000 0.987 74 S CA 0.961 59.295 58.200 0.223 0.000 0.936 74 S CB 0.224 63.495 63.200 0.119 0.000 0.766 74 S HN 0.369 nan 8.310 nan 0.000 0.528 75 G N 0.421 109.355 108.800 0.222 0.000 2.194 75 G HA2 -0.283 3.677 3.960 0.001 0.000 0.236 75 G HA3 -0.283 3.677 3.960 0.001 0.000 0.236 75 G C -0.093 174.709 174.900 -0.163 0.000 0.987 75 G CA 0.085 45.006 45.100 -0.298 0.000 0.635 75 G HN 0.750 nan 8.290 nan 0.000 0.520 76 Q N 1.654 121.442 119.800 -0.020 0.000 2.311 76 Q HA 0.508 4.848 4.340 0.001 0.000 0.272 76 Q C 0.377 176.384 176.000 0.013 0.000 1.012 76 Q CA 0.812 56.614 55.803 -0.002 0.000 0.891 76 Q CB 0.405 29.163 28.738 0.032 0.000 1.201 76 Q HN 0.551 nan 8.270 nan 0.000 0.391 77 T N 1.802 116.366 114.554 0.017 0.000 2.824 77 T HA 0.645 4.996 4.350 0.001 0.000 0.282 77 T C -0.554 174.243 174.700 0.161 0.000 0.993 77 T CA -0.801 61.341 62.100 0.069 0.000 0.967 77 T CB 0.831 69.680 68.868 -0.032 0.000 0.960 77 T HN 0.416 nan 8.240 nan 0.000 0.441 78 I N 4.301 125.004 120.570 0.222 0.000 2.382 78 I HA 0.407 4.577 4.170 0.001 0.000 0.286 78 I C -2.492 173.787 176.117 0.270 0.000 1.002 78 I CA -2.540 58.888 61.300 0.212 0.000 1.135 78 I CB 1.856 39.942 38.000 0.143 0.000 1.288 78 I HN 0.419 nan 8.210 nan 0.000 0.448 79 P HA 0.098 nan 4.420 nan 0.000 0.264 79 P C -0.029 177.254 177.300 -0.028 0.000 1.193 79 P CA -0.063 63.015 63.100 -0.036 0.000 0.763 79 P CB 0.809 32.485 31.700 -0.040 0.000 0.810 80 K N 1.605 121.954 120.400 -0.084 0.000 2.344 80 K HA 0.511 4.831 4.320 0.001 0.000 0.200 80 K C 0.530 177.115 176.600 -0.025 0.000 1.132 80 K CA 0.424 56.710 56.287 -0.002 0.000 0.935 80 K CB 0.527 33.073 32.500 0.076 0.000 1.089 80 K HN 0.514 nan 8.250 nan 0.000 0.496 81 A N 1.310 124.103 122.820 -0.044 0.000 2.583 81 A HA 0.514 4.835 4.320 0.001 0.000 0.292 81 A C -1.792 175.850 177.584 0.096 0.000 1.045 81 A CA -0.767 51.312 52.037 0.070 0.000 0.672 81 A CB 1.154 20.275 19.000 0.201 0.000 1.283 81 A HN 0.098 nan 8.150 nan 0.000 0.419 82 Q N 0.505 120.316 119.800 0.018 0.000 2.418 82 Q HA 0.791 5.131 4.340 0.001 0.000 0.282 82 Q C -1.631 174.041 176.000 -0.547 0.000 1.044 82 Q CA -1.087 54.582 55.803 -0.225 0.000 0.813 82 Q CB 1.873 30.480 28.738 -0.218 0.000 1.428 82 Q HN 0.584 nan 8.270 nan 0.000 0.402 83 Q N 0.975 120.273 119.800 -0.837 0.000 2.495 83 Q HA 0.598 4.938 4.340 0.001 0.000 0.287 83 Q C -1.068 174.609 176.000 -0.538 0.000 1.078 83 Q CA -0.839 54.453 55.803 -0.852 0.000 0.793 83 Q CB 2.568 30.457 28.738 -1.414 0.000 1.459 83 Q HN 0.683 nan 8.270 nan 0.000 0.422 84 M N 1.030 120.361 119.600 -0.447 0.000 2.395 84 M HA 0.416 4.896 4.480 0.001 0.000 0.307 84 M C -0.405 175.690 176.300 -0.341 0.000 1.091 84 M CA -0.429 54.689 55.300 -0.304 0.000 0.919 84 M CB 1.539 34.000 32.600 -0.231 0.000 1.662 84 M HN 0.525 nan 8.290 nan 0.000 0.440 85 H N 0.651 119.578 119.070 -0.238 0.000 2.669 85 H HA 0.436 4.992 4.556 0.001 0.000 0.318 85 H C 0.568 175.789 175.328 -0.178 0.000 1.429 85 H CA 0.290 56.210 56.048 -0.212 0.000 1.460 85 H CB 1.597 31.224 29.762 -0.225 0.000 1.784 85 H HN 0.686 nan 8.280 nan 0.000 0.750 86 T N -2.028 112.524 114.554 -0.004 0.000 3.092 86 T HA 0.351 4.702 4.350 0.001 0.000 0.258 86 T C 0.660 175.316 174.700 -0.073 0.000 1.031 86 T CA 0.002 62.070 62.100 -0.053 0.000 0.925 86 T CB 0.079 68.912 68.868 -0.058 0.000 1.036 86 T HN 0.611 nan 8.240 nan 0.000 0.544 87 G N 1.114 109.851 108.800 -0.105 0.000 2.684 87 G HA2 0.618 4.579 3.960 0.001 0.000 0.290 87 G HA3 0.618 4.579 3.960 0.001 0.000 0.290 87 G C -3.387 171.320 174.900 -0.322 0.000 1.425 87 G CA -1.802 43.180 45.100 -0.197 0.000 0.822 87 G HN -0.130 nan 8.290 nan 0.000 0.482 88 P HA 0.151 nan 4.420 nan 0.000 0.263 88 P C -0.032 176.832 177.300 -0.727 0.000 1.175 88 P CA -0.120 62.517 63.100 -0.773 0.000 0.761 88 P CB 0.777 31.542 31.700 -1.558 0.000 0.794 89 V N 5.633 125.197 119.914 -0.584 0.000 2.408 89 V HA 0.079 4.200 4.120 0.001 0.000 0.267 89 V C 1.541 177.384 176.094 -0.418 0.000 1.047 89 V CA 0.259 62.276 62.300 -0.471 0.000 0.937 89 V CB 0.477 32.127 31.823 -0.289 0.000 0.999 89 V HN 0.521 nan 8.190 nan 0.000 0.472 90 L N 2.374 123.358 121.223 -0.399 0.000 2.354 90 L HA 0.386 4.726 4.340 0.001 0.000 0.212 90 L C 0.413 177.196 176.870 -0.145 0.000 1.091 90 L CA 0.669 55.347 54.840 -0.269 0.000 0.828 90 L CB 0.245 42.103 42.059 -0.336 0.000 0.973 90 L HN 0.618 nan 8.230 nan 0.000 0.461 91 D N -0.934 119.371 120.400 -0.158 0.000 2.654 91 D HA 0.491 5.131 4.640 0.001 0.000 0.231 91 D C -1.395 174.856 176.300 -0.082 0.000 1.239 91 D CA -0.157 53.787 54.000 -0.093 0.000 0.790 91 D CB 2.761 43.497 40.800 -0.106 0.000 1.480 91 D HN -0.188 nan 8.370 nan 0.000 0.442 92 V N -0.759 119.135 119.914 -0.034 0.000 3.012 92 V HA 0.912 5.033 4.120 0.001 0.000 0.307 92 V C -0.217 175.896 176.094 0.032 0.000 1.166 92 V CA -0.859 61.437 62.300 -0.008 0.000 0.974 92 V CB 0.977 32.798 31.823 -0.004 0.000 1.040 92 V HN 1.064 nan 8.190 nan 0.000 0.428 93 C N 0.625 119.961 119.300 0.060 0.000 3.336 93 C HA 0.945 5.405 4.460 0.001 0.000 0.339 93 C C -1.684 173.390 174.990 0.139 0.000 1.468 93 C CA -0.578 58.551 59.018 0.186 0.000 1.287 93 C CB 0.957 28.825 27.740 0.214 0.000 1.682 93 C HN 1.080 nan 8.230 nan 0.000 0.451 94 W N 1.528 122.933 121.300 0.176 0.000 2.647 94 W HA 0.663 5.323 4.660 0.001 0.000 0.353 94 W C 0.575 177.137 176.519 0.071 0.000 1.080 94 W CA 0.037 57.419 57.345 0.062 0.000 1.208 94 W CB 1.651 31.130 29.460 0.032 0.000 1.396 94 W HN 0.980 nan 8.180 nan 0.000 0.573 95 S N 0.220 115.953 115.700 0.055 0.000 2.603 95 S HA 0.005 4.475 4.470 0.001 0.000 0.268 95 S C 0.964 175.533 174.600 -0.052 0.000 1.317 95 S CA -0.064 57.889 58.200 -0.412 0.000 1.012 95 S CB 0.985 63.786 63.200 -0.665 0.000 0.926 95 S HN 0.652 nan 8.310 nan 0.000 0.539 96 D N 0.769 121.200 120.400 0.053 0.000 2.264 96 D HA -0.199 4.441 4.640 0.001 0.000 0.208 96 D C 0.813 177.162 176.300 0.082 0.000 0.966 96 D CA 1.272 55.388 54.000 0.193 0.000 0.864 96 D CB -0.443 40.546 40.800 0.314 0.000 0.933 96 D HN 0.759 nan 8.370 nan 0.000 0.499 97 D N -0.171 120.251 120.400 0.036 0.000 2.340 97 D HA 0.066 4.706 4.640 0.001 0.000 0.220 97 D C 1.755 178.042 176.300 -0.022 0.000 1.039 97 D CA 0.848 54.849 54.000 0.003 0.000 0.866 97 D CB -0.282 40.520 40.800 0.002 0.000 0.913 97 D HN 0.367 nan 8.370 nan 0.000 0.523 98 G N 0.260 109.065 108.800 0.010 0.000 2.184 98 G HA2 -0.373 3.588 3.960 0.001 0.000 0.264 98 G HA3 -0.373 3.588 3.960 0.001 0.000 0.264 98 G C 1.175 176.122 174.900 0.078 0.000 0.975 98 G CA 1.013 46.151 45.100 0.063 0.000 0.642 98 G HN 0.663 nan 8.290 nan 0.000 0.536 99 S N -1.182 114.489 115.700 -0.049 0.000 2.446 99 S HA 0.311 4.781 4.470 0.001 0.000 0.225 99 S C 0.926 175.366 174.600 -0.268 0.000 1.016 99 S CA 0.964 59.080 58.200 -0.141 0.000 0.943 99 S CB 0.440 63.557 63.200 -0.138 0.000 0.786 99 S HN 0.387 nan 8.310 nan 0.000 0.508 100 K N 1.260 121.453 120.400 -0.346 0.000 2.316 100 K HA 0.660 4.980 4.320 0.001 0.000 0.251 100 K C -1.410 174.711 176.600 -0.799 0.000 0.934 100 K CA -0.643 55.256 56.287 -0.647 0.000 0.802 100 K CB 2.299 34.268 32.500 -0.885 0.000 1.171 100 K HN 0.033 nan 8.250 nan 0.000 0.426 101 V N 3.519 122.867 119.914 -0.943 0.000 2.459 101 V HA 0.463 4.583 4.120 0.001 0.000 0.295 101 V C -0.734 174.971 176.094 -0.648 0.000 1.029 101 V CA -0.774 60.988 62.300 -0.897 0.000 0.874 101 V CB 0.765 31.995 31.823 -0.988 0.000 0.985 101 V HN 0.521 nan 8.190 nan 0.000 0.438 102 F N 2.519 122.357 119.950 -0.186 0.000 2.450 102 F HA 0.700 5.227 4.527 0.001 0.000 0.332 102 F C 0.618 176.382 175.800 -0.059 0.000 1.093 102 F CA -0.488 57.467 58.000 -0.075 0.000 1.003 102 F CB 2.233 41.219 39.000 -0.023 0.000 1.151 102 F HN 0.516 nan 8.300 nan 0.000 0.474 103 T N 0.025 114.671 114.554 0.154 0.000 2.893 103 T HA 0.873 5.223 4.350 0.001 0.000 0.293 103 T C -1.004 173.690 174.700 -0.010 0.000 1.027 103 T CA -0.916 61.226 62.100 0.069 0.000 0.988 103 T CB 1.757 70.709 68.868 0.140 0.000 1.043 103 T HN 0.847 nan 8.240 nan 0.000 0.461 104 A N 1.688 124.398 122.820 -0.183 0.000 2.356 104 A HA 0.873 5.194 4.320 0.001 0.000 0.310 104 A C -0.135 177.151 177.584 -0.498 0.000 1.075 104 A CA -0.796 51.070 52.037 -0.284 0.000 0.746 104 A CB 1.747 20.621 19.000 -0.211 0.000 1.221 104 A HN 1.147 nan 8.150 nan 0.000 0.443 105 S N 0.532 115.878 115.700 -0.589 0.000 2.599 105 S HA 0.378 4.848 4.470 0.001 0.000 0.287 105 S C 0.747 175.039 174.600 -0.513 0.000 1.105 105 S CA -0.263 57.525 58.200 -0.687 0.000 0.899 105 S CB 1.125 63.682 63.200 -1.071 0.000 1.100 105 S HN 0.899 nan 8.310 nan 0.000 0.482 106 C N 2.069 121.056 119.300 -0.521 0.000 2.422 106 C HA -0.017 4.444 4.460 0.001 0.000 0.286 106 C C 1.883 176.714 174.990 -0.265 0.000 1.412 106 C CA 1.078 59.841 59.018 -0.425 0.000 1.786 106 C CB -1.647 25.838 27.740 -0.426 0.000 1.835 106 C HN 0.968 nan 8.230 nan 0.000 0.533 107 D N 0.310 120.570 120.400 -0.234 0.000 2.378 107 D HA -0.097 4.543 4.640 0.001 0.000 0.227 107 D C 0.852 177.095 176.300 -0.094 0.000 1.012 107 D CA 0.475 54.401 54.000 -0.124 0.000 0.905 107 D CB -0.615 40.148 40.800 -0.061 0.000 0.895 107 D HN 0.535 nan 8.370 nan 0.000 0.532 108 K N -1.775 118.546 120.400 -0.132 0.000 3.467 108 K HA -0.150 4.171 4.320 0.001 0.000 0.309 108 K C 0.052 176.628 176.600 -0.040 0.000 1.350 108 K CA 1.208 57.453 56.287 -0.072 0.000 0.934 108 K CB -2.580 29.911 32.500 -0.014 0.000 1.312 108 K HN 0.567 nan 8.250 nan 0.000 0.461 109 T N -2.620 111.889 114.554 -0.075 0.000 2.907 109 T HA 0.849 5.200 4.350 0.001 0.000 0.290 109 T C -0.687 173.973 174.700 -0.065 0.000 1.066 109 T CA -0.364 61.697 62.100 -0.065 0.000 1.012 109 T CB 2.554 71.397 68.868 -0.041 0.000 1.184 109 T HN 0.339 nan 8.240 nan 0.000 0.522 110 A N 1.046 123.809 122.820 -0.095 0.000 2.435 110 A HA 0.813 5.133 4.320 0.001 0.000 0.304 110 A C -0.671 176.902 177.584 -0.019 0.000 1.064 110 A CA -0.994 51.018 52.037 -0.042 0.000 0.727 110 A CB 1.371 20.303 19.000 -0.114 0.000 1.284 110 A HN 0.853 nan 8.150 nan 0.000 0.415 111 K N 0.798 121.242 120.400 0.073 0.000 2.267 111 K HA 0.596 4.917 4.320 0.001 0.000 0.246 111 K C -0.931 175.715 176.600 0.076 0.000 0.954 111 K CA -0.503 55.780 56.287 -0.007 0.000 0.824 111 K CB 2.382 34.788 32.500 -0.157 0.000 1.167 111 K HN 0.769 nan 8.250 nan 0.000 0.431 112 M N 2.698 122.315 119.600 0.027 0.000 2.149 112 M HA 0.280 4.761 4.480 0.001 0.000 0.342 112 M C -1.806 174.427 176.300 -0.111 0.000 1.068 112 M CA -0.628 54.613 55.300 -0.098 0.000 0.991 112 M CB 0.787 33.391 32.600 0.006 0.000 1.596 112 M HN 0.669 nan 8.290 nan 0.000 0.439 113 W N 6.331 127.366 121.300 -0.442 0.000 2.318 113 W HA 0.377 5.037 4.660 0.001 0.000 0.315 113 W C -1.382 174.898 176.519 -0.399 0.000 1.033 113 W CA -1.069 56.052 57.345 -0.373 0.000 1.275 113 W CB 0.806 30.045 29.460 -0.368 0.000 1.250 113 W HN 0.662 nan 8.180 nan 0.000 0.421 114 D N 4.991 125.333 120.400 -0.095 0.000 2.339 114 D HA 0.099 4.740 4.640 0.001 0.000 0.241 114 D C 1.207 177.317 176.300 -0.318 0.000 1.183 114 D CA 0.051 53.904 54.000 -0.244 0.000 0.859 114 D CB 0.948 41.664 40.800 -0.141 0.000 1.067 114 D HN 0.488 nan 8.370 nan 0.000 0.484 115 L N 2.844 123.738 121.223 -0.548 0.000 2.093 115 L HA -0.139 4.201 4.340 0.001 0.000 0.208 115 L C 2.512 179.201 176.870 -0.303 0.000 1.085 115 L CA 1.113 55.591 54.840 -0.603 0.000 0.755 115 L CB -0.531 41.102 42.059 -0.709 0.000 0.904 115 L HN 0.538 nan 8.230 nan 0.000 0.435 116 S N -0.750 114.812 115.700 -0.231 0.000 2.368 116 S HA -0.175 4.295 4.470 0.001 0.000 0.225 116 S C 1.990 176.532 174.600 -0.098 0.000 1.030 116 S CA 1.321 59.431 58.200 -0.151 0.000 0.999 116 S CB -0.449 62.675 63.200 -0.127 0.000 0.844 116 S HN 0.505 nan 8.310 nan 0.000 0.459 117 S N 0.722 116.372 115.700 -0.084 0.000 2.556 117 S HA 0.188 4.658 4.470 0.001 0.000 0.216 117 S C 0.728 175.320 174.600 -0.013 0.000 0.970 117 S CA 0.384 58.556 58.200 -0.046 0.000 0.912 117 S CB -0.797 62.376 63.200 -0.044 0.000 0.790 117 S HN 0.509 nan 8.310 nan 0.000 0.504 118 N N 1.520 120.227 118.700 0.012 0.000 2.710 118 N HA -0.152 4.588 4.740 0.001 0.000 0.249 118 N C -1.012 174.578 175.510 0.133 0.000 1.059 118 N CA 0.682 53.823 53.050 0.152 0.000 0.720 118 N CB -1.168 37.386 38.487 0.112 0.000 0.983 118 N HN 0.562 nan 8.380 nan 0.000 0.544 119 Q N -0.205 119.655 119.800 0.099 0.000 2.282 119 Q HA 0.728 5.068 4.340 0.001 0.000 0.260 119 Q C -0.481 175.547 176.000 0.046 0.000 0.964 119 Q CA -0.354 55.464 55.803 0.024 0.000 0.880 119 Q CB 1.816 30.545 28.738 -0.015 0.000 1.286 119 Q HN 0.395 nan 8.270 nan 0.000 0.445 120 A N 3.521 126.290 122.820 -0.085 0.000 2.355 120 A HA 0.831 5.152 4.320 0.001 0.000 0.317 120 A C -0.533 176.966 177.584 -0.142 0.000 1.094 120 A CA -0.690 51.267 52.037 -0.134 0.000 0.764 120 A CB 0.714 19.515 19.000 -0.332 0.000 1.230 120 A HN 0.713 nan 8.150 nan 0.000 0.448 121 I N -0.946 119.558 120.570 -0.111 0.000 2.689 121 I HA 0.587 4.757 4.170 0.001 0.000 0.299 121 I C -0.239 175.814 176.117 -0.106 0.000 1.059 121 I CA -0.903 60.335 61.300 -0.103 0.000 1.055 121 I CB 1.948 39.911 38.000 -0.062 0.000 1.243 121 I HN 0.724 nan 8.210 nan 0.000 0.425 122 Q N 3.481 123.209 119.800 -0.120 0.000 2.300 122 Q HA 0.257 4.597 4.340 0.001 0.000 0.280 122 Q C 0.134 176.057 176.000 -0.129 0.000 1.033 122 Q CA 0.311 56.035 55.803 -0.132 0.000 0.903 122 Q CB 0.924 29.579 28.738 -0.137 0.000 1.195 122 Q HN 0.840 nan 8.270 nan 0.000 0.386 123 I N 0.417 120.875 120.570 -0.186 0.000 4.439 123 I HA 0.611 4.781 4.170 0.001 0.000 0.331 123 I C -0.157 175.550 176.117 -0.683 0.000 1.345 123 I CA -0.397 60.767 61.300 -0.228 0.000 1.193 123 I CB 1.091 39.064 38.000 -0.045 0.000 1.221 123 I HN 0.389 nan 8.210 nan 0.000 0.429 124 A N 0.850 123.146 122.820 -0.874 0.000 2.574 124 A HA 0.843 5.163 4.320 0.001 0.000 0.297 124 A C -1.429 175.689 177.584 -0.777 0.000 1.062 124 A CA -0.407 50.635 52.037 -1.658 0.000 0.686 124 A CB 1.684 19.717 19.000 -1.612 0.000 1.285 124 A HN 0.239 nan 8.150 nan 0.000 0.403 125 Q N 1.040 120.469 119.800 -0.618 0.000 2.331 125 Q HA 0.611 4.951 4.340 0.001 0.000 0.272 125 Q C -1.548 174.401 176.000 -0.084 0.000 1.062 125 Q CA -0.386 55.314 55.803 -0.172 0.000 0.806 125 Q CB 1.394 30.081 28.738 -0.085 0.000 1.312 125 Q HN 0.869 nan 8.270 nan 0.000 0.431 126 H N 1.575 120.670 119.070 0.041 0.000 2.864 126 H HA 0.331 4.888 4.556 0.001 0.000 0.354 126 H C -0.599 174.753 175.328 0.041 0.000 1.208 126 H CA -0.623 55.468 56.048 0.071 0.000 1.191 126 H CB 2.054 31.839 29.762 0.039 0.000 1.889 126 H HN 0.744 nan 8.280 nan 0.000 0.574 127 D N 0.074 120.592 120.400 0.197 0.000 2.340 127 D HA 0.318 4.959 4.640 0.001 0.000 0.217 127 D C 0.156 176.525 176.300 0.115 0.000 1.081 127 D CA 0.293 54.366 54.000 0.122 0.000 0.842 127 D CB 0.823 41.685 40.800 0.104 0.000 0.934 127 D HN 0.474 nan 8.370 nan 0.000 0.511 128 A N 0.472 123.367 122.820 0.124 0.000 2.581 128 A HA 0.570 4.890 4.320 0.001 0.000 0.290 128 A C -2.785 174.783 177.584 -0.026 0.000 1.119 128 A CA -1.313 50.782 52.037 0.097 0.000 0.670 128 A CB 0.773 19.886 19.000 0.189 0.000 1.280 128 A HN -0.254 nan 8.150 nan 0.000 0.425 129 P HA 0.171 nan 4.420 nan 0.000 0.264 129 P C -0.580 176.364 177.300 -0.594 0.000 1.179 129 P CA 0.266 63.095 63.100 -0.452 0.000 0.763 129 P CB 0.289 31.498 31.700 -0.819 0.000 0.806 130 V N 4.396 123.999 119.914 -0.520 0.000 2.385 130 V HA 0.126 4.247 4.120 0.001 0.000 0.269 130 V C 1.399 177.177 176.094 -0.526 0.000 1.043 130 V CA 0.235 62.240 62.300 -0.492 0.000 0.906 130 V CB 0.995 32.633 31.823 -0.308 0.000 0.995 130 V HN 0.494 nan 8.190 nan 0.000 0.467 131 K N 3.608 123.713 120.400 -0.492 0.000 2.242 131 K HA 0.093 4.413 4.320 0.001 0.000 0.200 131 K C 0.809 177.315 176.600 -0.157 0.000 1.050 131 K CA 1.001 57.072 56.287 -0.359 0.000 0.981 131 K CB 0.342 32.706 32.500 -0.226 0.000 0.795 131 K HN 0.866 nan 8.250 nan 0.000 0.477 132 T N -2.116 112.368 114.554 -0.116 0.000 2.903 132 T HA 0.626 4.976 4.350 0.001 0.000 0.299 132 T C -0.848 173.813 174.700 -0.065 0.000 1.093 132 T CA -0.806 61.278 62.100 -0.027 0.000 1.002 132 T CB 1.417 70.372 68.868 0.145 0.000 1.127 132 T HN 0.056 nan 8.240 nan 0.000 0.488 133 I N 1.381 121.841 120.570 -0.182 0.000 2.644 133 I HA 0.631 4.802 4.170 0.001 0.000 0.291 133 I C -1.843 174.031 176.117 -0.405 0.000 1.180 133 I CA -0.605 60.606 61.300 -0.148 0.000 1.040 133 I CB 1.787 39.741 38.000 -0.077 0.000 1.255 133 I HN 0.968 nan 8.210 nan 0.000 0.422 134 H N 5.428 124.542 119.070 0.073 0.000 2.961 134 H HA 0.336 4.892 4.556 0.001 0.000 0.371 134 H C -1.758 173.669 175.328 0.165 0.000 1.190 134 H CA -0.475 55.658 56.048 0.141 0.000 1.138 134 H CB 2.052 31.883 29.762 0.116 0.000 1.816 134 H HN 0.579 nan 8.280 nan 0.000 0.551 135 W N 4.823 126.205 121.300 0.137 0.000 2.391 135 W HA 0.535 5.196 4.660 0.001 0.000 0.311 135 W C -1.537 175.060 176.519 0.130 0.000 1.087 135 W CA -0.748 56.632 57.345 0.058 0.000 1.209 135 W CB 0.725 30.262 29.460 0.127 0.000 1.273 135 W HN 0.486 nan 8.180 nan 0.000 0.482 136 I N 6.689 126.935 120.570 -0.540 0.000 2.355 136 I HA 0.200 4.370 4.170 0.001 0.000 0.288 136 I C 0.203 175.836 176.117 -0.807 0.000 0.999 136 I CA -0.503 60.545 61.300 -0.420 0.000 1.163 136 I CB 1.536 39.476 38.000 -0.100 0.000 1.316 136 I HN 0.200 nan 8.210 nan 0.000 0.454 137 K N 6.221 126.286 120.400 -0.559 0.000 2.347 137 K HA 0.672 4.992 4.320 0.001 0.000 0.262 137 K C -0.698 175.480 176.600 -0.703 0.000 1.052 137 K CA -0.316 55.665 56.287 -0.510 0.000 0.946 137 K CB 1.283 33.691 32.500 -0.153 0.000 1.220 137 K HN 0.751 nan 8.250 nan 0.000 0.450 138 A N 4.193 126.435 122.820 -0.963 0.000 2.269 138 A HA 0.504 4.824 4.320 0.001 0.000 0.319 138 A C -1.706 175.453 177.584 -0.708 0.000 1.110 138 A CA -1.378 49.901 52.037 -1.263 0.000 0.847 138 A CB 0.368 18.514 19.000 -1.423 0.000 1.161 138 A HN 0.517 nan 8.150 nan 0.000 0.497 139 P HA -0.155 nan 4.420 nan 0.000 0.218 139 P C 0.635 177.840 177.300 -0.158 0.000 1.148 139 P CA 1.618 64.571 63.100 -0.245 0.000 0.822 139 P CB 0.011 31.630 31.700 -0.135 0.000 0.784 140 N N -1.264 117.351 118.700 -0.141 0.000 2.322 140 N HA -0.037 4.703 4.740 0.001 0.000 0.181 140 N C 0.444 176.000 175.510 0.076 0.000 1.088 140 N CA -0.020 53.029 53.050 -0.001 0.000 0.885 140 N CB -0.015 38.521 38.487 0.082 0.000 1.013 140 N HN 0.286 nan 8.380 nan 0.000 0.472 141 Y N -1.973 118.265 120.300 -0.103 0.000 2.670 141 Y HA 0.755 5.306 4.550 0.001 0.000 0.334 141 Y C -1.304 174.493 175.900 -0.171 0.000 1.185 141 Y CA -1.273 56.764 58.100 -0.104 0.000 1.053 141 Y CB 1.017 39.420 38.460 -0.095 0.000 1.298 141 Y HN -0.179 nan 8.280 nan 0.000 0.459 142 S N 1.222 116.919 115.700 -0.005 0.000 2.571 142 S HA 0.785 5.255 4.470 0.001 0.000 0.284 142 S C -1.123 173.336 174.600 -0.236 0.000 1.128 142 S CA -0.390 57.630 58.200 -0.301 0.000 0.970 142 S CB 0.980 64.080 63.200 -0.167 0.000 1.039 142 S HN 1.313 nan 8.310 nan 0.000 0.485 143 C N 0.491 119.476 119.300 -0.524 0.000 3.321 143 C HA 0.873 5.333 4.460 0.001 0.000 0.329 143 C C -0.974 173.833 174.990 -0.304 0.000 1.394 143 C CA -0.761 58.129 59.018 -0.215 0.000 1.291 143 C CB 0.095 27.900 27.740 0.108 0.000 1.606 143 C HN 0.553 nan 8.230 nan 0.000 0.463 144 V N 2.130 122.075 119.914 0.053 0.000 2.481 144 V HA 0.535 4.655 4.120 0.001 0.000 0.286 144 V C 0.152 176.317 176.094 0.118 0.000 1.042 144 V CA -0.149 62.190 62.300 0.065 0.000 0.928 144 V CB 1.538 33.352 31.823 -0.014 0.000 0.986 144 V HN 0.971 nan 8.190 nan 0.000 0.462 145 M N 4.498 124.113 119.600 0.024 0.000 2.227 145 M HA 0.534 5.014 4.480 0.001 0.000 0.335 145 M C -0.742 175.521 176.300 -0.062 0.000 1.053 145 M CA -0.010 55.155 55.300 -0.225 0.000 0.973 145 M CB 1.465 33.897 32.600 -0.280 0.000 1.623 145 M HN 0.732 nan 8.290 nan 0.000 0.434 146 T N 3.113 117.641 114.554 -0.043 0.000 2.856 146 T HA 0.761 5.112 4.350 0.001 0.000 0.283 146 T C -0.211 174.472 174.700 -0.027 0.000 1.008 146 T CA -0.751 61.400 62.100 0.085 0.000 0.997 146 T CB 1.720 70.817 68.868 0.381 0.000 0.992 146 T HN 0.811 nan 8.240 nan 0.000 0.454 147 G N 0.507 109.246 108.800 -0.102 0.000 2.513 147 G HA2 0.601 4.561 3.960 0.001 0.000 0.317 147 G HA3 0.601 4.561 3.960 0.001 0.000 0.317 147 G C -0.974 173.761 174.900 -0.274 0.000 1.277 147 G CA -0.545 44.473 45.100 -0.136 0.000 0.955 147 G HN 0.726 nan 8.290 nan 0.000 0.484 148 S N 0.454 115.978 115.700 -0.293 0.000 2.599 148 S HA 0.504 4.975 4.470 0.001 0.000 0.287 148 S C -0.054 174.570 174.600 0.041 0.000 1.105 148 S CA -0.743 57.249 58.200 -0.346 0.000 0.899 148 S CB 0.877 63.657 63.200 -0.700 0.000 1.100 148 S HN 0.517 nan 8.310 nan 0.000 0.482 149 W N 1.857 123.129 121.300 -0.047 0.000 2.961 149 W HA 0.093 4.754 4.660 0.001 0.000 0.240 149 W C 1.269 177.803 176.519 0.025 0.000 1.305 149 W CA 0.462 57.822 57.345 0.026 0.000 1.465 149 W CB -1.020 28.468 29.460 0.047 0.000 1.135 149 W HN 0.841 nan 8.180 nan 0.000 0.688 150 D N -0.152 120.373 120.400 0.208 0.000 2.336 150 D HA -0.099 4.541 4.640 0.001 0.000 0.229 150 D C 0.641 177.027 176.300 0.144 0.000 1.061 150 D CA 0.316 54.420 54.000 0.173 0.000 0.875 150 D CB -0.459 40.456 40.800 0.191 0.000 0.904 150 D HN 0.100 nan 8.370 nan 0.000 0.525 151 K N -1.017 119.463 120.400 0.134 0.000 3.339 151 K HA -0.139 4.182 4.320 0.001 0.000 0.299 151 K C -0.268 176.391 176.600 0.098 0.000 1.270 151 K CA 1.108 57.455 56.287 0.100 0.000 0.875 151 K CB -2.617 29.927 32.500 0.074 0.000 1.298 151 K HN 0.587 nan 8.250 nan 0.000 0.485 152 T N -2.006 112.619 114.554 0.119 0.000 2.916 152 T HA 0.713 5.063 4.350 0.001 0.000 0.292 152 T C -0.793 173.975 174.700 0.113 0.000 1.055 152 T CA -1.148 61.031 62.100 0.131 0.000 1.009 152 T CB 2.267 71.242 68.868 0.179 0.000 1.118 152 T HN 0.069 nan 8.240 nan 0.000 0.497 153 L N 1.453 122.715 121.223 0.064 0.000 2.325 153 L HA 0.652 4.992 4.340 0.001 0.000 0.281 153 L C -0.525 176.281 176.870 -0.107 0.000 1.004 153 L CA -0.342 54.459 54.840 -0.064 0.000 0.823 153 L CB 1.388 43.370 42.059 -0.129 0.000 1.236 153 L HN 0.773 nan 8.230 nan 0.000 0.415 154 K N 4.137 124.401 120.400 -0.227 0.000 2.328 154 K HA 0.645 4.965 4.320 0.001 0.000 0.246 154 K C -1.580 174.517 176.600 -0.839 0.000 0.955 154 K CA -0.520 55.519 56.287 -0.412 0.000 0.817 154 K CB 2.256 34.495 32.500 -0.435 0.000 1.208 154 K HN 0.256 nan 8.250 nan 0.000 0.432 155 F N 0.838 120.373 119.950 -0.691 0.000 2.529 155 F HA 0.442 4.969 4.527 0.001 0.000 0.320 155 F C -1.078 174.351 175.800 -0.618 0.000 1.118 155 F CA -0.632 57.087 58.000 -0.468 0.000 0.915 155 F CB 1.321 40.144 39.000 -0.294 0.000 1.161 155 F HN 0.397 nan 8.300 nan 0.000 0.445 156 W N 1.988 123.341 121.300 0.089 0.000 2.785 156 W HA 0.321 4.981 4.660 0.001 0.000 0.333 156 W C 0.224 176.793 176.519 0.085 0.000 1.062 156 W CA -0.873 56.508 57.345 0.060 0.000 1.233 156 W CB 1.253 30.732 29.460 0.033 0.000 1.413 156 W HN 0.499 nan 8.180 nan 0.000 0.489 157 D N -0.770 119.813 120.400 0.304 0.000 2.349 157 D HA -0.071 4.569 4.640 0.001 0.000 0.224 157 D C 1.425 177.900 176.300 0.292 0.000 1.029 157 D CA 1.099 55.246 54.000 0.245 0.000 0.879 157 D CB -0.511 40.387 40.800 0.164 0.000 0.906 157 D HN 0.537 nan 8.370 nan 0.000 0.528 158 T N -3.374 111.368 114.554 0.314 0.000 6.412 158 T HA -0.343 4.007 4.350 0.001 0.000 0.279 158 T C 1.236 176.047 174.700 0.184 0.000 2.177 158 T CA 1.509 63.769 62.100 0.268 0.000 3.599 158 T CB -1.937 67.141 68.868 0.350 0.000 1.259 158 T HN 0.456 nan 8.240 nan 0.000 1.146 159 R N 0.544 121.147 120.500 0.172 0.000 2.167 159 R HA 0.436 4.776 4.340 0.001 0.000 0.195 159 R C 1.258 177.622 176.300 0.106 0.000 1.027 159 R CA 0.651 56.823 56.100 0.121 0.000 1.114 159 R CB 0.369 30.735 30.300 0.111 0.000 1.075 159 R HN 0.431 nan 8.270 nan 0.000 0.538 160 S N 0.098 115.877 115.700 0.131 0.000 2.565 160 S HA 0.120 4.590 4.470 0.001 0.000 0.290 160 S C 0.937 175.642 174.600 0.175 0.000 1.150 160 S CA -0.643 57.630 58.200 0.122 0.000 1.058 160 S CB 1.672 64.936 63.200 0.106 0.000 1.032 160 S HN 0.266 nan 8.310 nan 0.000 0.510 161 S N 3.012 118.797 115.700 0.141 0.000 2.603 161 S HA 0.146 4.617 4.470 0.001 0.000 0.220 161 S C 0.252 175.020 174.600 0.280 0.000 0.967 161 S CA -0.284 58.022 58.200 0.177 0.000 0.920 161 S CB -0.486 62.764 63.200 0.083 0.000 0.773 161 S HN 0.673 nan 8.310 nan 0.000 0.529 162 N N 4.138 122.955 118.700 0.196 0.000 2.444 162 N HA 0.358 5.099 4.740 0.001 0.000 0.271 162 N C -2.827 172.718 175.510 0.058 0.000 1.069 162 N CA -1.532 51.591 53.050 0.122 0.000 0.965 162 N CB 0.894 39.407 38.487 0.044 0.000 1.092 162 N HN 0.277 nan 8.380 nan 0.000 0.476 163 P HA 0.035 nan 4.420 nan 0.000 0.268 163 P C 0.943 178.048 177.300 -0.325 0.000 1.205 163 P CA -0.084 62.614 63.100 -0.670 0.000 0.771 163 P CB 0.617 31.683 31.700 -1.056 0.000 0.858 164 M N 1.389 120.830 119.600 -0.264 0.000 2.557 164 M HA 0.163 4.644 4.480 0.001 0.000 0.259 164 M C 0.631 176.814 176.300 -0.195 0.000 1.086 164 M CA 1.501 56.699 55.300 -0.169 0.000 1.096 164 M CB -0.093 32.431 32.600 -0.125 0.000 1.424 164 M HN 0.305 nan 8.290 nan 0.000 0.488 165 M N 0.733 120.210 119.600 -0.205 0.000 2.523 165 M HA 0.455 4.935 4.480 0.001 0.000 0.287 165 M C -2.261 173.996 176.300 -0.073 0.000 1.160 165 M CA -0.560 54.648 55.300 -0.154 0.000 0.902 165 M CB 2.558 35.004 32.600 -0.256 0.000 1.752 165 M HN -0.155 nan 8.290 nan 0.000 0.504 166 V N 4.938 124.817 119.914 -0.058 0.000 2.443 166 V HA 0.537 4.658 4.120 0.001 0.000 0.293 166 V C -0.845 175.270 176.094 0.035 0.000 1.021 166 V CA -0.558 61.729 62.300 -0.022 0.000 0.848 166 V CB 1.743 33.526 31.823 -0.067 0.000 0.998 166 V HN 0.746 nan 8.190 nan 0.000 0.424 167 L N 3.609 124.892 121.223 0.101 0.000 2.317 167 L HA 0.596 4.936 4.340 0.001 0.000 0.281 167 L C -0.177 176.751 176.870 0.097 0.000 1.024 167 L CA -0.708 54.196 54.840 0.107 0.000 0.810 167 L CB 1.993 44.147 42.059 0.159 0.000 1.240 167 L HN 0.550 nan 8.230 nan 0.000 0.427 168 Q N 2.308 122.163 119.800 0.091 0.000 2.267 168 Q HA 0.501 4.841 4.340 0.001 0.000 0.255 168 Q C -1.066 174.996 176.000 0.103 0.000 0.923 168 Q CA 0.101 55.953 55.803 0.082 0.000 0.925 168 Q CB 1.282 30.055 28.738 0.059 0.000 1.195 168 Q HN 0.438 nan 8.270 nan 0.000 0.417 169 L N 5.889 127.168 121.223 0.092 0.000 2.344 169 L HA 0.447 4.788 4.340 0.001 0.000 0.272 169 L C -1.305 175.597 176.870 0.054 0.000 1.035 169 L CA -1.939 52.957 54.840 0.094 0.000 0.807 169 L CB 1.388 43.499 42.059 0.088 0.000 1.237 169 L HN 0.697 nan 8.230 nan 0.000 0.442 170 P HA -0.040 nan 4.420 nan 0.000 0.226 170 P C 0.103 177.392 177.300 -0.018 0.000 1.153 170 P CA 1.182 64.285 63.100 0.005 0.000 0.777 170 P CB 0.691 32.387 31.700 -0.007 0.000 0.794 171 E N -1.369 118.815 120.200 -0.026 0.000 2.435 171 E HA 0.270 4.620 4.350 0.001 0.000 0.277 171 E C -0.604 175.963 176.600 -0.055 0.000 1.106 171 E CA -0.903 55.456 56.400 -0.067 0.000 0.868 171 E CB 1.261 30.875 29.700 -0.144 0.000 1.454 171 E HN -0.159 nan 8.360 nan 0.000 0.452 172 R N 0.239 120.686 120.500 -0.089 0.000 2.538 172 R HA 0.068 4.408 4.340 0.001 0.000 0.282 172 R C 0.251 176.581 176.300 0.050 0.000 1.009 172 R CA 0.084 56.202 56.100 0.030 0.000 1.063 172 R CB 0.111 30.418 30.300 0.012 0.000 0.945 172 R HN 0.297 nan 8.270 nan 0.000 0.414 173 C N 5.467 124.920 119.300 0.255 0.000 2.651 173 C HA 0.058 4.518 4.460 0.001 0.000 0.410 173 C C 0.965 176.301 174.990 0.577 0.000 1.372 173 C CA -0.304 58.879 59.018 0.274 0.000 1.707 173 C CB -0.801 27.041 27.740 0.171 0.000 2.501 173 C HN 0.725 nan 8.230 nan 0.000 0.598 174 Y N 3.545 123.975 120.300 0.218 0.000 2.522 174 Y HA 0.255 4.805 4.550 0.001 0.000 0.277 174 Y C 1.434 177.452 175.900 0.198 0.000 1.104 174 Y CA 0.107 58.349 58.100 0.236 0.000 1.260 174 Y CB -0.492 38.073 38.460 0.174 0.000 1.151 174 Y HN 0.921 nan 8.280 nan 0.000 0.539 175 C N -1.734 117.753 119.300 0.313 0.000 3.292 175 C HA 0.941 5.402 4.460 0.001 0.000 0.338 175 C C -0.691 174.398 174.990 0.165 0.000 1.323 175 C CA -1.070 58.081 59.018 0.222 0.000 1.232 175 C CB 1.230 29.093 27.740 0.205 0.000 1.517 175 C HN 0.390 nan 8.230 nan 0.000 0.470 176 A N 0.789 123.710 122.820 0.167 0.000 2.608 176 A HA 0.892 5.212 4.320 0.001 0.000 0.292 176 A C -2.011 175.583 177.584 0.016 0.000 1.066 176 A CA 0.044 52.121 52.037 0.067 0.000 0.676 176 A CB 1.768 20.796 19.000 0.047 0.000 1.277 176 A HN 1.212 nan 8.150 nan 0.000 0.413 177 D N -0.813 119.480 120.400 -0.178 0.000 2.602 177 D HA 0.650 5.290 4.640 0.001 0.000 0.236 177 D C -1.716 174.398 176.300 -0.311 0.000 1.209 177 D CA -0.038 53.832 54.000 -0.217 0.000 0.831 177 D CB 2.318 43.151 40.800 0.056 0.000 1.478 177 D HN 0.535 nan 8.370 nan 0.000 0.438 178 V N 2.958 122.732 119.914 -0.234 0.000 2.569 178 V HA 0.506 4.627 4.120 0.001 0.000 0.301 178 V C -0.444 175.682 176.094 0.054 0.000 1.044 178 V CA -0.571 61.678 62.300 -0.084 0.000 0.874 178 V CB 1.649 33.436 31.823 -0.060 0.000 1.002 178 V HN 0.491 nan 8.190 nan 0.000 0.424 179 I N 4.964 125.558 120.570 0.040 0.000 2.493 179 I HA 0.309 4.480 4.170 0.001 0.000 0.279 179 I C -0.570 175.579 176.117 0.052 0.000 1.045 179 I CA -0.736 60.608 61.300 0.072 0.000 1.106 179 I CB 1.436 39.464 38.000 0.047 0.000 1.216 179 I HN 0.647 nan 8.210 nan 0.000 0.459 180 Y N 9.660 129.950 120.300 -0.015 0.000 2.904 180 Y HA 0.005 4.555 4.550 0.001 0.000 0.336 180 Y C -1.276 174.594 175.900 -0.050 0.000 1.263 180 Y CA -0.396 57.677 58.100 -0.045 0.000 1.547 180 Y CB 0.748 39.161 38.460 -0.078 0.000 1.272 180 Y HN 0.410 nan 8.280 nan 0.000 0.596 181 P HA 0.071 nan 4.420 nan 0.000 0.249 181 P C -0.666 176.346 177.300 -0.481 0.000 1.544 181 P CA 0.379 62.776 63.100 -1.173 0.000 0.932 181 P CB -0.074 30.980 31.700 -1.077 0.000 1.524 182 M N 0.764 120.204 119.600 -0.268 0.000 2.383 182 M HA 0.674 5.154 4.480 0.001 0.000 0.325 182 M C -1.526 174.738 176.300 -0.060 0.000 1.092 182 M CA -0.700 54.503 55.300 -0.163 0.000 0.961 182 M CB 2.486 34.987 32.600 -0.165 0.000 1.672 182 M HN -0.104 nan 8.290 nan 0.000 0.438 183 A N 3.931 126.755 122.820 0.007 0.000 2.435 183 A HA 0.838 5.158 4.320 0.001 0.000 0.304 183 A C -1.676 175.949 177.584 0.068 0.000 1.064 183 A CA -0.633 51.422 52.037 0.029 0.000 0.727 183 A CB 1.902 20.939 19.000 0.062 0.000 1.284 183 A HN 0.626 nan 8.150 nan 0.000 0.415 184 V N 1.691 121.587 119.914 -0.031 0.000 2.588 184 V HA 0.602 4.722 4.120 0.001 0.000 0.304 184 V C -0.742 175.309 176.094 -0.070 0.000 1.042 184 V CA -0.467 61.760 62.300 -0.121 0.000 0.877 184 V CB 1.798 33.365 31.823 -0.427 0.000 0.996 184 V HN 0.740 nan 8.190 nan 0.000 0.425 185 V N 3.272 123.192 119.914 0.011 0.000 2.588 185 V HA 0.872 4.992 4.120 0.001 0.000 0.304 185 V C 0.066 176.177 176.094 0.028 0.000 1.042 185 V CA -0.553 61.783 62.300 0.061 0.000 0.877 185 V CB 1.939 33.869 31.823 0.179 0.000 0.996 185 V HN 1.010 nan 8.190 nan 0.000 0.425 186 A N 3.072 125.928 122.820 0.061 0.000 2.337 186 A HA 0.957 5.277 4.320 0.001 0.000 0.329 186 A C 0.058 177.723 177.584 0.134 0.000 1.146 186 A CA -0.200 51.914 52.037 0.129 0.000 0.800 186 A CB 1.586 20.682 19.000 0.160 0.000 1.220 186 A HN 1.009 nan 8.150 nan 0.000 0.472 187 T N -1.132 113.447 114.554 0.042 0.000 2.888 187 T HA 0.798 5.148 4.350 0.001 0.000 0.288 187 T C 0.374 174.772 174.700 -0.504 0.000 1.063 187 T CA -0.094 61.894 62.100 -0.187 0.000 1.010 187 T CB 1.083 69.875 68.868 -0.126 0.000 1.214 187 T HN 1.820 nan 8.240 nan 0.000 0.533 188 A N 0.064 122.317 122.820 -0.945 0.000 2.475 188 A HA 0.404 4.724 4.320 0.001 0.000 0.239 188 A C 0.675 178.032 177.584 -0.378 0.000 1.087 188 A CA 0.308 51.838 52.037 -0.845 0.000 0.779 188 A CB -1.154 17.423 19.000 -0.704 0.000 1.036 188 A HN 1.140 nan 8.150 nan 0.000 0.506 189 E N -0.494 119.548 120.200 -0.264 0.000 2.539 189 E HA -0.260 4.090 4.350 0.001 0.000 0.253 189 E C -0.059 176.401 176.600 -0.232 0.000 1.145 189 E CA 0.711 56.995 56.400 -0.193 0.000 0.738 189 E CB -1.391 28.226 29.700 -0.137 0.000 1.308 189 E HN 0.705 nan 8.360 nan 0.000 0.409 190 R N -3.199 117.070 120.500 -0.385 0.000 3.641 190 R HA -0.174 4.166 4.340 0.001 0.000 0.286 190 R C 0.624 176.784 176.300 -0.233 0.000 1.153 190 R CA 0.669 56.383 56.100 -0.643 0.000 0.775 190 R CB -2.180 27.834 30.300 -0.478 0.000 1.215 190 R HN 0.355 nan 8.270 nan 0.000 0.474 191 G N 0.513 109.233 108.800 -0.132 0.000 2.442 191 G HA2 0.417 4.377 3.960 0.001 0.000 0.249 191 G HA3 0.417 4.377 3.960 0.001 0.000 0.249 191 G C -0.577 174.380 174.900 0.095 0.000 1.263 191 G CA -0.346 44.745 45.100 -0.015 0.000 0.846 191 G HN 0.072 nan 8.290 nan 0.000 0.555 192 L N 2.522 123.781 121.223 0.060 0.000 2.580 192 L HA 0.591 4.931 4.340 0.001 0.000 0.266 192 L C -0.939 175.904 176.870 -0.046 0.000 0.955 192 L CA -0.464 54.388 54.840 0.019 0.000 0.886 192 L CB 1.460 43.544 42.059 0.041 0.000 1.263 192 L HN 0.497 nan 8.230 nan 0.000 0.406 193 I N 5.140 125.662 120.570 -0.081 0.000 2.569 193 I HA 0.550 4.720 4.170 0.001 0.000 0.290 193 I C -0.854 175.140 176.117 -0.206 0.000 1.088 193 I CA -1.069 60.133 61.300 -0.163 0.000 1.047 193 I CB 2.309 40.194 38.000 -0.190 0.000 1.237 193 I HN 0.153 nan 8.210 nan 0.000 0.421 194 V N 5.783 125.563 119.914 -0.222 0.000 2.483 194 V HA 0.431 4.552 4.120 0.001 0.000 0.295 194 V C -0.960 174.993 176.094 -0.236 0.000 1.035 194 V CA -0.541 61.699 62.300 -0.099 0.000 0.896 194 V CB 1.577 33.462 31.823 0.103 0.000 0.986 194 V HN 0.425 nan 8.190 nan 0.000 0.447 195 Y N 2.454 122.785 120.300 0.052 0.000 2.468 195 Y HA 0.613 5.163 4.550 0.001 0.000 0.342 195 Y C 0.217 176.106 175.900 -0.017 0.000 1.021 195 Y CA -0.980 57.160 58.100 0.065 0.000 1.079 195 Y CB 1.854 40.352 38.460 0.062 0.000 1.226 195 Y HN 0.714 nan 8.280 nan 0.000 0.460 196 Q N 1.279 121.160 119.800 0.135 0.000 2.226 196 Q HA 0.612 4.953 4.340 0.001 0.000 0.256 196 Q C -1.293 174.718 176.000 0.018 0.000 0.962 196 Q CA -0.399 55.385 55.803 -0.033 0.000 0.887 196 Q CB 1.448 30.151 28.738 -0.059 0.000 1.282 196 Q HN 0.822 nan 8.270 nan 0.000 0.449 197 L N 0.081 121.260 121.223 -0.073 0.000 2.966 197 L HA 0.342 4.683 4.340 0.001 0.000 0.262 197 L C -0.124 176.849 176.870 0.172 0.000 1.165 197 L CA -0.251 54.624 54.840 0.058 0.000 0.978 197 L CB 0.500 42.616 42.059 0.095 0.000 1.337 197 L HN 0.726 nan 8.230 nan 0.000 0.563 198 E N 1.647 121.857 120.200 0.017 0.000 2.414 198 E HA 0.011 4.361 4.350 0.001 0.000 0.263 198 E C 0.117 176.819 176.600 0.171 0.000 1.000 198 E CA 0.059 56.540 56.400 0.135 0.000 0.914 198 E CB 0.394 30.112 29.700 0.030 0.000 0.948 198 E HN 0.216 nan 8.360 nan 0.000 0.444 199 N N 1.290 120.130 118.700 0.234 0.000 2.568 199 N HA -0.287 4.453 4.740 0.001 0.000 0.218 199 N C -0.031 175.551 175.510 0.119 0.000 0.244 199 N CA 2.310 55.460 53.050 0.166 0.000 4.081 199 N CB -0.766 37.764 38.487 0.071 0.000 0.872 199 N HN 0.736 nan 8.380 nan 0.000 0.235 200 Q N 0.167 119.982 119.800 0.024 0.000 2.472 200 Q HA 0.641 4.982 4.340 0.001 0.000 0.281 200 Q C -3.381 172.534 176.000 -0.142 0.000 0.997 200 Q CA -1.561 54.127 55.803 -0.192 0.000 0.828 200 Q CB 2.824 31.407 28.738 -0.258 0.000 1.443 200 Q HN -0.071 nan 8.270 nan 0.000 0.390 201 P HA 0.085 nan 4.420 nan 0.000 0.267 201 P C -1.124 176.098 177.300 -0.130 0.000 1.205 201 P CA 0.342 63.296 63.100 -0.243 0.000 0.765 201 P CB 0.763 32.037 31.700 -0.710 0.000 0.828 202 S N 0.532 116.270 115.700 0.063 0.000 2.550 202 S HA 0.371 4.841 4.470 0.001 0.000 0.270 202 S C -0.841 173.920 174.600 0.269 0.000 1.145 202 S CA -1.084 57.194 58.200 0.130 0.000 0.852 202 S CB 1.250 64.486 63.200 0.059 0.000 1.119 202 S HN 0.402 nan 8.310 nan 0.000 0.465 203 E N 0.239 120.562 120.200 0.205 0.000 2.415 203 E HA 0.205 4.555 4.350 0.001 0.000 0.263 203 E C -0.448 176.146 176.600 -0.009 0.000 0.995 203 E CA -0.213 56.147 56.400 -0.066 0.000 0.915 203 E CB 0.374 30.012 29.700 -0.104 0.000 0.951 203 E HN 0.646 nan 8.360 nan 0.000 0.449 204 F N 4.740 124.562 119.950 -0.213 0.000 2.514 204 F HA 0.329 4.856 4.527 0.001 0.000 0.281 204 F C 0.407 176.141 175.800 -0.109 0.000 1.060 204 F CA 0.126 58.057 58.000 -0.116 0.000 1.397 204 F CB 0.694 39.645 39.000 -0.082 0.000 1.129 204 F HN 0.368 nan 8.300 nan 0.000 0.620 205 R N 0.802 121.240 120.500 -0.105 0.000 2.561 205 R HA 0.350 4.691 4.340 0.001 0.000 0.266 205 R C -1.426 174.813 176.300 -0.102 0.000 1.091 205 R CA -0.680 55.328 56.100 -0.152 0.000 0.927 205 R CB 1.447 31.706 30.300 -0.069 0.000 1.240 205 R HN 0.020 nan 8.270 nan 0.000 0.449 206 R N 4.613 125.054 120.500 -0.098 0.000 2.229 206 R HA 0.441 4.782 4.340 0.001 0.000 0.328 206 R C -0.356 175.931 176.300 -0.023 0.000 1.009 206 R CA -0.418 55.641 56.100 -0.068 0.000 0.864 206 R CB 1.041 31.302 30.300 -0.064 0.000 1.085 206 R HN 0.436 nan 8.270 nan 0.000 0.453 207 I N 2.009 122.577 120.570 -0.003 0.000 2.404 207 I HA 0.134 4.304 4.170 0.001 0.000 0.293 207 I C 0.241 176.373 176.117 0.026 0.000 0.992 207 I CA -0.959 60.356 61.300 0.025 0.000 1.149 207 I CB 1.929 39.940 38.000 0.019 0.000 1.315 207 I HN 0.431 nan 8.210 nan 0.000 0.446 208 E N 4.769 124.993 120.200 0.040 0.000 2.351 208 E HA 0.024 4.374 4.350 0.001 0.000 0.266 208 E C -0.088 176.549 176.600 0.061 0.000 1.031 208 E CA 0.227 56.654 56.400 0.046 0.000 0.911 208 E CB 0.732 30.462 29.700 0.050 0.000 0.986 208 E HN 0.509 nan 8.360 nan 0.000 0.446 209 S N 5.550 121.302 115.700 0.087 0.000 2.537 209 S HA 0.084 4.554 4.470 0.001 0.000 0.286 209 S C -1.437 173.232 174.600 0.115 0.000 1.299 209 S CA -1.063 57.220 58.200 0.138 0.000 1.067 209 S CB 0.532 63.909 63.200 0.295 0.000 0.864 209 S HN 0.539 nan 8.310 nan 0.000 0.494 210 P HA 0.087 nan 4.420 nan 0.000 0.234 210 P C -0.324 177.039 177.300 0.105 0.000 1.167 210 P CA 0.604 63.770 63.100 0.110 0.000 0.763 210 P CB 0.034 31.811 31.700 0.130 0.000 0.835 211 L N -0.237 121.071 121.223 0.142 0.000 2.346 211 L HA 0.361 4.702 4.340 0.001 0.000 0.274 211 L C 1.361 178.330 176.870 0.164 0.000 1.007 211 L CA -0.798 54.139 54.840 0.162 0.000 0.818 211 L CB 2.343 44.510 42.059 0.180 0.000 1.284 211 L HN -0.360 nan 8.230 nan 0.000 0.424 212 K N 0.456 120.937 120.400 0.135 0.000 2.404 212 K HA 0.162 4.482 4.320 0.001 0.000 0.194 212 K C -0.348 176.144 176.600 -0.180 0.000 1.023 212 K CA 0.162 56.445 56.287 -0.006 0.000 1.094 212 K CB 0.289 32.770 32.500 -0.033 0.000 0.841 212 K HN 0.521 nan 8.250 nan 0.000 0.523 213 H N -0.181 118.924 119.070 0.058 0.000 2.797 213 H HA 0.133 4.690 4.556 0.001 0.000 0.362 213 H C -0.596 174.769 175.328 0.061 0.000 1.183 213 H CA -0.760 55.315 56.048 0.045 0.000 1.197 213 H CB 1.113 30.904 29.762 0.048 0.000 1.835 213 H HN -0.111 nan 8.280 nan 0.000 0.567 214 Q N 1.482 121.388 119.800 0.176 0.000 2.308 214 Q HA -0.074 4.267 4.340 0.001 0.000 0.313 214 Q C -0.688 175.461 176.000 0.248 0.000 1.075 214 Q CA 0.377 56.260 55.803 0.133 0.000 0.995 214 Q CB 0.176 29.008 28.738 0.157 0.000 1.107 214 Q HN 0.648 nan 8.270 nan 0.000 0.380 215 H N 2.990 122.171 119.070 0.185 0.000 2.732 215 H HA 0.090 4.646 4.556 0.001 0.000 0.351 215 H C 0.620 176.078 175.328 0.217 0.000 1.090 215 H CA -0.379 55.774 56.048 0.175 0.000 1.431 215 H CB 1.239 31.087 29.762 0.144 0.000 1.447 215 H HN 0.641 nan 8.280 nan 0.000 0.582 216 R N 1.135 121.800 120.500 0.276 0.000 2.562 216 R HA 0.176 4.516 4.340 0.001 0.000 0.191 216 R C -0.657 175.744 176.300 0.169 0.000 0.835 216 R CA 0.660 56.874 56.100 0.190 0.000 1.036 216 R CB 0.763 31.140 30.300 0.129 0.000 1.437 216 R HN 0.697 nan 8.270 nan 0.000 0.654 217 C N -1.451 117.938 119.300 0.148 0.000 3.173 217 C HA 0.868 5.328 4.460 0.001 0.000 0.310 217 C C -0.883 174.189 174.990 0.138 0.000 1.306 217 C CA -1.216 57.892 59.018 0.149 0.000 1.426 217 C CB 1.475 29.304 27.740 0.149 0.000 1.800 217 C HN 0.055 nan 8.230 nan 0.000 0.470 218 V N 0.708 120.720 119.914 0.162 0.000 2.969 218 V HA 0.896 5.016 4.120 0.001 0.000 0.304 218 V C -0.847 175.392 176.094 0.241 0.000 1.192 218 V CA 0.479 62.881 62.300 0.169 0.000 0.962 218 V CB 2.008 33.855 31.823 0.041 0.000 1.045 218 V HN 2.100 nan 8.190 nan 0.000 0.428 219 A N 6.316 129.347 122.820 0.351 0.000 2.427 219 A HA 0.846 5.166 4.320 0.001 0.000 0.298 219 A C -1.056 176.809 177.584 0.468 0.000 1.036 219 A CA -0.560 51.740 52.037 0.438 0.000 0.701 219 A CB 1.361 20.712 19.000 0.584 0.000 1.250 219 A HN 0.841 nan 8.150 nan 0.000 0.412 220 I N 2.494 123.226 120.570 0.270 0.000 2.519 220 I HA 0.449 4.619 4.170 0.001 0.000 0.287 220 I C -0.126 175.934 176.117 -0.096 0.000 1.047 220 I CA -0.096 61.251 61.300 0.078 0.000 1.381 220 I CB 0.814 38.819 38.000 0.009 0.000 1.417 220 I HN 0.684 nan 8.210 nan 0.000 0.540 221 F N 3.788 123.504 119.950 -0.391 0.000 2.598 221 F HA 0.758 5.286 4.527 0.001 0.000 0.327 221 F C -0.769 174.843 175.800 -0.312 0.000 1.057 221 F CA -1.186 56.408 58.000 -0.676 0.000 0.957 221 F CB 0.911 39.076 39.000 -1.391 0.000 1.278 221 F HN 0.187 nan 8.300 nan 0.000 0.484 222 K N 0.737 121.142 120.400 0.007 0.000 2.221 222 K HA 0.327 4.648 4.320 0.001 0.000 0.243 222 K C -1.075 175.604 176.600 0.132 0.000 0.968 222 K CA -1.014 55.282 56.287 0.015 0.000 0.846 222 K CB 1.554 34.065 32.500 0.018 0.000 1.141 222 K HN 0.792 nan 8.250 nan 0.000 0.434 223 D N 0.296 120.752 120.400 0.093 0.000 2.478 223 D HA 0.019 4.660 4.640 0.001 0.000 0.274 223 D C 0.724 177.081 176.300 0.095 0.000 1.234 223 D CA -0.376 53.703 54.000 0.132 0.000 1.069 223 D CB 0.534 41.397 40.800 0.105 0.000 1.113 223 D HN 0.378 nan 8.370 nan 0.000 0.571 224 K N -1.372 119.079 120.400 0.086 0.000 2.209 224 K HA -0.170 4.150 4.320 0.001 0.000 0.204 224 K C 1.247 177.876 176.600 0.048 0.000 1.048 224 K CA 1.091 57.416 56.287 0.064 0.000 0.940 224 K CB 0.047 32.580 32.500 0.055 0.000 0.729 224 K HN 0.268 nan 8.250 nan 0.000 0.451 225 Q N 0.016 119.841 119.800 0.043 0.000 2.320 225 Q HA 0.055 4.395 4.340 0.001 0.000 0.201 225 Q C -0.185 175.833 176.000 0.030 0.000 0.910 225 Q CA 0.140 55.962 55.803 0.032 0.000 0.946 225 Q CB 0.355 29.108 28.738 0.025 0.000 1.062 225 Q HN 0.317 nan 8.270 nan 0.000 0.503 226 N N -0.221 118.501 118.700 0.036 0.000 2.829 226 N HA -0.181 4.559 4.740 0.001 0.000 0.250 226 N C -1.330 174.193 175.510 0.022 0.000 1.090 226 N CA 0.705 53.775 53.050 0.034 0.000 0.781 226 N CB -0.530 37.977 38.487 0.034 0.000 1.124 226 N HN 0.163 nan 8.380 nan 0.000 0.559 227 K N 0.609 121.016 120.400 0.010 0.000 2.138 227 K HA 0.422 4.742 4.320 0.001 0.000 0.263 227 K C -2.424 174.148 176.600 -0.046 0.000 0.965 227 K CA -1.921 54.356 56.287 -0.016 0.000 0.868 227 K CB 1.242 33.729 32.500 -0.022 0.000 1.083 227 K HN 0.027 nan 8.250 nan 0.000 0.443 228 P HA -0.067 nan 4.420 nan 0.000 0.264 228 P C -0.098 177.095 177.300 -0.179 0.000 1.193 228 P CA 0.344 63.359 63.100 -0.142 0.000 0.763 228 P CB 1.025 32.644 31.700 -0.135 0.000 0.810 229 T N 0.680 115.059 114.554 -0.292 0.000 3.080 229 T HA 0.436 4.786 4.350 0.001 0.000 0.280 229 T C 0.231 174.678 174.700 -0.421 0.000 0.926 229 T CA 0.464 62.423 62.100 -0.235 0.000 0.883 229 T CB -0.071 68.763 68.868 -0.056 0.000 1.194 229 T HN 0.653 nan 8.240 nan 0.000 0.541 230 G N 0.950 109.254 108.800 -0.827 0.000 2.342 230 G HA2 0.503 4.463 3.960 0.001 0.000 0.297 230 G HA3 0.503 4.463 3.960 0.001 0.000 0.297 230 G C -2.068 172.212 174.900 -1.033 0.000 1.313 230 G CA -0.426 44.029 45.100 -1.077 0.000 0.830 230 G HN 0.441 nan 8.290 nan 0.000 0.506 231 F N -1.921 117.711 119.950 -0.529 0.000 2.686 231 F HA 0.913 5.441 4.527 0.001 0.000 0.311 231 F C -0.178 175.804 175.800 0.303 0.000 1.128 231 F CA -1.308 56.645 58.000 -0.079 0.000 0.946 231 F CB 1.343 40.321 39.000 -0.038 0.000 1.336 231 F HN 1.065 nan 8.300 nan 0.000 0.457 232 A N 1.839 125.050 122.820 0.652 0.000 2.325 232 A HA 0.861 5.181 4.320 0.001 0.000 0.333 232 A C -1.800 176.014 177.584 0.383 0.000 1.155 232 A CA -0.773 51.526 52.037 0.437 0.000 0.814 232 A CB 1.491 20.753 19.000 0.436 0.000 1.206 232 A HN 1.150 nan 8.150 nan 0.000 0.482 233 L N 1.601 122.943 121.223 0.197 0.000 2.470 233 L HA 0.766 5.106 4.340 0.001 0.000 0.268 233 L C 0.006 176.876 176.870 0.001 0.000 0.964 233 L CA 0.136 55.048 54.840 0.121 0.000 0.839 233 L CB 1.973 44.090 42.059 0.097 0.000 1.276 233 L HN 0.855 nan 8.230 nan 0.000 0.403 234 G N 2.079 110.891 108.800 0.021 0.000 2.420 234 G HA2 0.659 4.619 3.960 0.001 0.000 0.331 234 G HA3 0.659 4.619 3.960 0.001 0.000 0.331 234 G C -0.943 173.993 174.900 0.059 0.000 1.168 234 G CA 0.028 45.133 45.100 0.008 0.000 0.936 234 G HN 0.847 nan 8.290 nan 0.000 0.479 235 S N 0.028 115.766 115.700 0.063 0.000 2.783 235 S HA 0.448 4.918 4.470 0.001 0.000 0.312 235 S C 1.340 175.996 174.600 0.093 0.000 1.125 235 S CA -0.356 57.923 58.200 0.132 0.000 0.954 235 S CB 1.258 64.562 63.200 0.174 0.000 1.203 235 S HN 1.041 nan 8.310 nan 0.000 0.546 236 I N -2.316 118.316 120.570 0.103 0.000 3.334 236 I HA 0.239 4.410 4.170 0.001 0.000 0.282 236 I C 1.177 177.288 176.117 -0.011 0.000 1.313 236 I CA 0.951 62.283 61.300 0.055 0.000 1.396 236 I CB -0.205 37.831 38.000 0.061 0.000 1.054 236 I HN 0.653 nan 8.210 nan 0.000 0.495 237 E N 2.413 122.581 120.200 -0.053 0.000 2.511 237 E HA 0.172 4.523 4.350 0.001 0.000 0.214 237 E C 0.943 177.493 176.600 -0.083 0.000 1.062 237 E CA -0.006 56.282 56.400 -0.186 0.000 1.213 237 E CB 0.006 29.391 29.700 -0.524 0.000 1.214 237 E HN 0.569 nan 8.360 nan 0.000 0.441 238 G N 2.644 111.452 108.800 0.013 0.000 2.393 238 G HA2 -0.317 3.644 3.960 0.001 0.000 0.299 238 G HA3 -0.317 3.644 3.960 0.001 0.000 0.299 238 G C 0.025 174.927 174.900 0.004 0.000 0.990 238 G CA 1.146 46.293 45.100 0.079 0.000 1.118 238 G HN 0.350 nan 8.290 nan 0.000 0.513 239 R N -1.382 119.081 120.500 -0.062 0.000 2.604 239 R HA 0.604 4.945 4.340 0.001 0.000 0.270 239 R C -1.140 174.982 176.300 -0.297 0.000 1.052 239 R CA -0.757 55.232 56.100 -0.184 0.000 0.902 239 R CB 2.127 32.367 30.300 -0.100 0.000 1.233 239 R HN 0.174 nan 8.270 nan 0.000 0.455 240 V N 1.954 121.483 119.914 -0.642 0.000 2.735 240 V HA 0.712 4.833 4.120 0.001 0.000 0.310 240 V C -0.610 175.117 176.094 -0.611 0.000 1.061 240 V CA -0.807 61.087 62.300 -0.677 0.000 0.913 240 V CB 1.858 33.072 31.823 -1.017 0.000 1.005 240 V HN 0.901 nan 8.190 nan 0.000 0.428 241 A N 5.408 128.042 122.820 -0.310 0.000 2.304 241 A HA 0.820 5.140 4.320 0.001 0.000 0.323 241 A C -0.705 176.752 177.584 -0.212 0.000 1.195 241 A CA -0.497 51.405 52.037 -0.225 0.000 0.826 241 A CB 0.533 19.488 19.000 -0.075 0.000 1.184 241 A HN 0.600 nan 8.150 nan 0.000 0.496 242 I N 2.577 122.926 120.570 -0.369 0.000 2.315 242 I HA 0.277 4.447 4.170 0.001 0.000 0.291 242 I C -0.348 175.658 176.117 -0.184 0.000 1.006 242 I CA 0.024 61.147 61.300 -0.295 0.000 1.265 242 I CB 0.797 38.452 38.000 -0.574 0.000 1.387 242 I HN 0.821 nan 8.210 nan 0.000 0.475 243 H N 6.024 124.869 119.070 -0.376 0.000 2.924 243 H HA 0.442 4.998 4.556 0.001 0.000 0.333 243 H C -1.368 173.635 175.328 -0.542 0.000 0.979 243 H CA -0.324 55.442 56.048 -0.470 0.000 1.326 243 H CB 0.997 30.262 29.762 -0.827 0.000 1.600 243 H HN 0.348 nan 8.280 nan 0.000 0.520 244 Y N 5.010 125.101 120.300 -0.348 0.000 2.299 244 Y HA 0.054 4.605 4.550 0.001 0.000 0.326 244 Y C 1.159 176.945 175.900 -0.190 0.000 1.164 244 Y CA -0.665 57.315 58.100 -0.200 0.000 1.234 244 Y CB 0.691 39.117 38.460 -0.057 0.000 1.219 244 Y HN 0.620 nan 8.280 nan 0.000 0.497 245 I N 1.352 121.952 120.570 0.050 0.000 2.233 245 I HA -0.188 3.983 4.170 0.001 0.000 0.243 245 I C 0.333 176.530 176.117 0.134 0.000 1.093 245 I CA 1.348 62.726 61.300 0.130 0.000 1.380 245 I CB -0.402 37.655 38.000 0.095 0.000 1.067 245 I HN 0.603 nan 8.210 nan 0.000 0.413 246 N N 1.239 120.003 118.700 0.106 0.000 2.733 246 N HA 0.256 4.996 4.740 0.001 0.000 0.271 246 N C -2.378 173.159 175.510 0.044 0.000 1.720 246 N CA -0.686 52.412 53.050 0.081 0.000 0.803 246 N CB 1.206 39.743 38.487 0.085 0.000 1.208 246 N HN 0.195 nan 8.380 nan 0.000 0.498 247 P HA 0.408 nan 4.420 nan 0.000 0.279 247 P C -1.881 175.391 177.300 -0.048 0.000 1.252 247 P CA -0.921 62.143 63.100 -0.059 0.000 0.811 247 P CB 1.246 32.878 31.700 -0.112 0.000 1.035 248 P HA -0.047 nan 4.420 nan 0.000 0.223 248 P C 0.354 177.631 177.300 -0.038 0.000 1.151 248 P CA 1.338 64.412 63.100 -0.043 0.000 0.787 248 P CB 0.237 31.907 31.700 -0.049 0.000 0.788 249 N N -1.328 117.342 118.700 -0.050 0.000 2.722 249 N HA 0.168 4.908 4.740 0.001 0.000 0.242 249 N C -2.319 173.175 175.510 -0.025 0.000 1.398 249 N CA -1.869 51.161 53.050 -0.032 0.000 0.755 249 N CB 0.694 39.160 38.487 -0.034 0.000 1.268 249 N HN -0.226 nan 8.380 nan 0.000 0.522 250 P HA -0.112 nan 4.420 nan 0.000 0.216 250 P C 1.054 178.365 177.300 0.018 0.000 1.153 250 P CA 1.425 64.519 63.100 -0.011 0.000 0.858 250 P CB 0.351 32.049 31.700 -0.004 0.000 0.789 251 A N -0.049 122.786 122.820 0.025 0.000 2.015 251 A HA -0.202 4.118 4.320 0.001 0.000 0.219 251 A C 2.131 179.748 177.584 0.054 0.000 1.163 251 A CA 2.011 54.074 52.037 0.043 0.000 0.646 251 A CB -0.937 18.083 19.000 0.034 0.000 0.806 251 A HN 0.367 nan 8.150 nan 0.000 0.448 252 K N -1.629 118.792 120.400 0.036 0.000 2.313 252 K HA 0.059 4.379 4.320 0.001 0.000 0.197 252 K C 0.688 177.322 176.600 0.056 0.000 1.061 252 K CA 0.852 57.159 56.287 0.033 0.000 0.980 252 K CB 0.008 32.506 32.500 -0.004 0.000 0.888 252 K HN 0.083 nan 8.250 nan 0.000 0.502 253 D N 1.084 121.508 120.400 0.040 0.000 2.194 253 D HA -0.025 4.615 4.640 0.001 0.000 0.204 253 D C -0.126 176.349 176.300 0.291 0.000 0.964 253 D CA 0.633 54.662 54.000 0.048 0.000 0.846 253 D CB -0.091 40.624 40.800 -0.142 0.000 0.962 253 D HN 0.183 nan 8.370 nan 0.000 0.490 254 N N 0.605 119.441 118.700 0.227 0.000 2.455 254 N HA 0.365 5.106 4.740 0.001 0.000 0.280 254 N C -0.313 175.396 175.510 0.330 0.000 1.055 254 N CA -0.278 52.908 53.050 0.226 0.000 0.961 254 N CB 0.995 39.476 38.487 -0.009 0.000 1.121 254 N HN 0.052 nan 8.380 nan 0.000 0.476 255 F N -1.925 118.105 119.950 0.133 0.000 2.711 255 F HA 0.682 5.209 4.527 0.001 0.000 0.313 255 F C -0.339 175.540 175.800 0.131 0.000 1.141 255 F CA -1.134 56.941 58.000 0.125 0.000 0.941 255 F CB 1.117 40.193 39.000 0.125 0.000 1.349 255 F HN 0.284 nan 8.300 nan 0.000 0.464 256 T N -0.211 114.452 114.554 0.181 0.000 2.942 256 T HA 0.855 5.205 4.350 0.001 0.000 0.289 256 T C -1.100 173.756 174.700 0.261 0.000 1.044 256 T CA -0.664 61.445 62.100 0.014 0.000 1.023 256 T CB 2.025 70.890 68.868 -0.005 0.000 1.123 256 T HN 1.167 nan 8.240 nan 0.000 0.512 257 F N -1.490 118.447 119.950 -0.023 0.000 2.613 257 F HA 0.770 5.298 4.527 0.001 0.000 0.310 257 F C -0.796 174.955 175.800 -0.083 0.000 1.085 257 F CA -1.429 56.564 58.000 -0.011 0.000 0.945 257 F CB 1.481 40.461 39.000 -0.033 0.000 1.298 257 F HN 0.556 nan 8.300 nan 0.000 0.455 258 K N 1.959 122.443 120.400 0.140 0.000 2.144 258 K HA 0.723 5.043 4.320 0.001 0.000 0.270 258 K C -0.826 175.872 176.600 0.163 0.000 1.005 258 K CA -0.482 55.847 56.287 0.069 0.000 0.932 258 K CB 1.364 33.922 32.500 0.097 0.000 1.021 258 K HN 0.977 nan 8.250 nan 0.000 0.462 259 C N -1.180 118.190 119.300 0.116 0.000 3.295 259 C HA 0.408 4.869 4.460 0.001 0.000 0.341 259 C C -0.511 174.569 174.990 0.149 0.000 1.418 259 C CA -1.080 58.049 59.018 0.185 0.000 1.240 259 C CB 0.877 28.749 27.740 0.220 0.000 1.562 259 C HN 1.040 nan 8.230 nan 0.000 0.457 260 H N -0.546 118.679 119.070 0.257 0.000 2.756 260 H HA -0.127 4.429 4.556 0.001 0.000 0.315 260 H C -0.055 175.419 175.328 0.243 0.000 1.210 260 H CA 1.561 57.728 56.048 0.198 0.000 1.150 260 H CB -0.947 28.927 29.762 0.187 0.000 1.463 260 H HN 0.721 nan 8.280 nan 0.000 0.427 261 R N -0.241 120.397 120.500 0.230 0.000 2.803 261 R HA 0.613 4.953 4.340 0.001 0.000 0.276 261 R C -0.270 176.142 176.300 0.188 0.000 0.978 261 R CA -0.624 55.619 56.100 0.237 0.000 0.939 261 R CB 1.996 32.382 30.300 0.143 0.000 1.179 261 R HN 0.004 nan 8.270 nan 0.000 0.472 262 S N 2.172 118.003 115.700 0.218 0.000 2.552 262 S HA 0.549 5.020 4.470 0.001 0.000 0.314 262 S C -1.001 173.658 174.600 0.099 0.000 1.099 262 S CA -0.568 57.722 58.200 0.150 0.000 1.070 262 S CB 0.764 64.090 63.200 0.211 0.000 0.998 262 S HN 0.731 nan 8.310 nan 0.000 0.474 269 A N 2.255 125.081 122.820 0.010 0.000 2.327 269 A HA 0.669 4.990 4.320 0.001 0.000 0.255 269 A C -2.297 175.293 177.584 0.009 0.000 1.099 269 A CA -0.676 51.367 52.037 0.010 0.000 0.801 269 A CB -0.722 18.285 19.000 0.012 0.000 1.062 269 A HN 0.382 nan 8.150 nan 0.000 0.496 270 P HA 0.147 nan 4.420 nan 0.000 0.269 270 P C -0.587 176.715 177.300 0.003 0.000 1.209 270 P CA -0.109 62.991 63.100 0.001 0.000 0.776 270 P CB 0.343 32.038 31.700 -0.009 0.000 0.876 271 Q N 2.153 121.955 119.800 0.003 0.000 2.288 271 Q HA 0.085 4.426 4.340 0.001 0.000 0.258 271 Q C -0.719 175.273 176.000 -0.013 0.000 0.957 271 Q CA -0.388 55.422 55.803 0.012 0.000 0.919 271 Q CB 0.370 29.120 28.738 0.021 0.000 1.185 271 Q HN 0.378 nan 8.270 nan 0.000 0.408 272 D N 5.002 125.401 120.400 -0.002 0.000 2.308 272 D HA 0.260 4.900 4.640 0.001 0.000 0.251 272 D C -0.245 175.972 176.300 -0.137 0.000 1.127 272 D CA 0.137 54.072 54.000 -0.110 0.000 0.876 272 D CB 0.873 41.636 40.800 -0.061 0.000 1.176 272 D HN 0.512 nan 8.370 nan 0.000 0.446 273 I N 2.651 123.050 120.570 -0.285 0.000 2.377 273 I HA 0.260 4.430 4.170 0.001 0.000 0.293 273 I C -0.536 175.369 176.117 -0.353 0.000 0.987 273 I CA -0.737 60.454 61.300 -0.181 0.000 1.185 273 I CB 0.772 38.690 38.000 -0.136 0.000 1.341 273 I HN 0.195 nan 8.210 nan 0.000 0.455 274 Y N 3.358 123.678 120.300 0.033 0.000 2.598 274 Y HA 0.664 5.214 4.550 0.001 0.000 0.340 274 Y C 0.500 176.419 175.900 0.032 0.000 1.038 274 Y CA -0.964 57.155 58.100 0.032 0.000 1.100 274 Y CB 1.617 40.114 38.460 0.062 0.000 1.281 274 Y HN 0.575 nan 8.280 nan 0.000 0.488 275 A N 1.006 123.931 122.820 0.175 0.000 2.425 275 A HA 0.471 4.792 4.320 0.001 0.000 0.249 275 A C -0.703 176.917 177.584 0.060 0.000 1.084 275 A CA -0.448 51.643 52.037 0.091 0.000 0.781 275 A CB -0.114 18.923 19.000 0.062 0.000 1.019 275 A HN 0.517 nan 8.150 nan 0.000 0.490 276 V N 3.880 123.818 119.914 0.040 0.000 2.385 276 V HA 0.107 4.228 4.120 0.001 0.000 0.269 276 V C 0.619 176.723 176.094 0.017 0.000 1.043 276 V CA -0.341 61.950 62.300 -0.015 0.000 0.906 276 V CB 0.623 32.476 31.823 0.049 0.000 0.995 276 V HN 0.952 nan 8.190 nan 0.000 0.467 277 N N 3.284 121.981 118.700 -0.004 0.000 2.415 277 N HA 0.164 4.905 4.740 0.001 0.000 0.174 277 N C 0.636 176.201 175.510 0.092 0.000 1.048 277 N CA 0.817 53.896 53.050 0.049 0.000 0.895 277 N CB 0.992 39.505 38.487 0.045 0.000 1.036 277 N HN 0.781 nan 8.380 nan 0.000 0.449 278 G N -0.105 108.758 108.800 0.105 0.000 2.718 278 G HA2 0.685 4.646 3.960 0.001 0.000 0.295 278 G HA3 0.685 4.646 3.960 0.001 0.000 0.295 278 G C -1.705 173.313 174.900 0.198 0.000 1.421 278 G CA -0.366 44.831 45.100 0.161 0.000 0.902 278 G HN 0.045 nan 8.290 nan 0.000 0.501 279 I N 0.291 120.995 120.570 0.223 0.000 2.644 279 I HA 0.734 4.904 4.170 0.001 0.000 0.291 279 I C -0.776 175.504 176.117 0.272 0.000 1.180 279 I CA -0.772 60.668 61.300 0.234 0.000 1.040 279 I CB 2.024 40.138 38.000 0.191 0.000 1.255 279 I HN 0.928 nan 8.210 nan 0.000 0.422 280 A N 6.110 129.100 122.820 0.283 0.000 2.520 280 A HA 0.746 5.067 4.320 0.001 0.000 0.298 280 A C -1.817 175.997 177.584 0.384 0.000 1.051 280 A CA -0.344 51.941 52.037 0.413 0.000 0.690 280 A CB 1.005 20.297 19.000 0.487 0.000 1.281 280 A HN 0.521 nan 8.150 nan 0.000 0.402 281 F N 1.831 122.034 119.950 0.422 0.000 2.399 281 F HA 0.327 4.854 4.527 0.001 0.000 0.334 281 F C 1.099 176.907 175.800 0.012 0.000 1.097 281 F CA 0.125 58.282 58.000 0.262 0.000 1.076 281 F CB 1.131 40.262 39.000 0.219 0.000 1.162 281 F HN 0.656 nan 8.300 nan 0.000 0.495 282 H N 5.789 124.736 119.070 -0.205 0.000 2.848 282 H HA 0.104 4.661 4.556 0.001 0.000 0.317 282 H C -1.724 173.418 175.328 -0.310 0.000 1.046 282 H CA -1.587 53.998 56.048 -0.771 0.000 1.470 282 H CB 1.601 30.953 29.762 -0.683 0.000 1.483 282 H HN 0.331 nan 8.280 nan 0.000 0.548 283 P HA -0.101 nan 4.420 nan 0.000 0.230 283 P C 1.091 178.325 177.300 -0.111 0.000 1.158 283 P CA 0.510 63.491 63.100 -0.198 0.000 0.769 283 P CB 0.677 32.254 31.700 -0.205 0.000 0.807 284 V N -0.656 119.203 119.914 -0.092 0.000 2.690 284 V HA -0.015 4.105 4.120 0.001 0.000 0.240 284 V C 2.386 178.464 176.094 -0.027 0.000 1.078 284 V CA 1.203 63.446 62.300 -0.095 0.000 1.102 284 V CB -1.063 30.602 31.823 -0.263 0.000 0.800 284 V HN 0.095 nan 8.190 nan 0.000 0.479 285 H N 0.609 119.775 119.070 0.161 0.000 2.525 285 H HA 0.241 4.798 4.556 0.001 0.000 0.275 285 H C 2.125 177.471 175.328 0.031 0.000 0.984 285 H CA 0.759 56.784 56.048 -0.039 0.000 1.264 285 H CB -0.022 29.561 29.762 -0.299 0.000 1.432 285 H HN 0.507 nan 8.280 nan 0.000 0.549 286 G N 1.324 110.252 108.800 0.214 0.000 2.162 286 G HA2 -0.325 3.635 3.960 0.001 0.000 0.260 286 G HA3 -0.325 3.635 3.960 0.001 0.000 0.260 286 G C 0.830 175.933 174.900 0.337 0.000 0.976 286 G CA 0.787 46.037 45.100 0.251 0.000 0.655 286 G HN 0.641 nan 8.290 nan 0.000 0.533 287 T N -0.950 113.739 114.554 0.224 0.000 2.754 287 T HA 0.703 5.054 4.350 0.001 0.000 0.286 287 T C 0.393 175.159 174.700 0.111 0.000 0.997 287 T CA 0.090 62.279 62.100 0.147 0.000 0.982 287 T CB 1.931 70.809 68.868 0.017 0.000 1.027 287 T HN 1.534 nan 8.240 nan 0.000 0.529 288 L N -2.087 119.149 121.223 0.022 0.000 2.409 288 L HA 0.939 5.279 4.340 0.001 0.000 0.262 288 L C -0.741 176.273 176.870 0.240 0.000 0.992 288 L CA -1.681 53.092 54.840 -0.112 0.000 0.817 288 L CB 1.721 43.346 42.059 -0.723 0.000 1.350 288 L HN 0.883 nan 8.230 nan 0.000 0.411 289 A N 1.201 124.213 122.820 0.319 0.000 2.312 289 A HA 0.860 5.180 4.320 0.001 0.000 0.326 289 A C -0.044 177.829 177.584 0.482 0.000 1.172 289 A CA -0.082 52.230 52.037 0.459 0.000 0.821 289 A CB 1.192 20.334 19.000 0.236 0.000 1.166 289 A HN 0.893 nan 8.150 nan 0.000 0.493 290 T N -1.044 113.889 114.554 0.632 0.000 2.908 290 T HA 0.740 5.091 4.350 0.001 0.000 0.290 290 T C -0.328 174.701 174.700 0.549 0.000 1.034 290 T CA -0.265 62.188 62.100 0.589 0.000 1.010 290 T CB 1.089 70.427 68.868 0.783 0.000 1.068 290 T HN 1.746 nan 8.240 nan 0.000 0.481 291 V N -1.135 118.939 119.914 0.267 0.000 2.876 291 V HA 1.036 5.156 4.120 0.001 0.000 0.312 291 V C -0.001 175.914 176.094 -0.298 0.000 1.085 291 V CA -0.546 61.824 62.300 0.118 0.000 0.945 291 V CB 1.400 33.371 31.823 0.247 0.000 1.017 291 V HN 1.417 nan 8.190 nan 0.000 0.428 292 G N 0.498 109.066 108.800 -0.387 0.000 2.680 292 G HA2 0.488 4.449 3.960 0.001 0.000 0.290 292 G HA3 0.488 4.449 3.960 0.001 0.000 0.290 292 G C 0.177 175.014 174.900 -0.104 0.000 1.355 292 G CA 0.149 44.988 45.100 -0.434 0.000 0.903 292 G HN 0.917 nan 8.290 nan 0.000 0.474 293 S N -0.521 115.164 115.700 -0.026 0.000 2.507 293 S HA -0.101 4.370 4.470 0.001 0.000 0.235 293 S C 1.844 176.342 174.600 -0.169 0.000 0.988 293 S CA 1.595 59.814 58.200 0.030 0.000 0.944 293 S CB -0.169 63.131 63.200 0.168 0.000 0.762 293 S HN 0.683 nan 8.310 nan 0.000 0.526 294 D N 0.444 120.606 120.400 -0.396 0.000 2.363 294 D HA 0.072 4.713 4.640 0.001 0.000 0.226 294 D C 1.217 177.322 176.300 -0.326 0.000 1.020 294 D CA 0.866 54.378 54.000 -0.813 0.000 0.892 294 D CB -0.956 39.461 40.800 -0.638 0.000 0.900 294 D HN 0.402 nan 8.370 nan 0.000 0.531 295 G N 0.542 109.269 108.800 -0.121 0.000 2.198 295 G HA2 -0.306 3.654 3.960 0.001 0.000 0.257 295 G HA3 -0.306 3.654 3.960 0.001 0.000 0.257 295 G C -0.036 174.850 174.900 -0.023 0.000 1.042 295 G CA 0.053 45.145 45.100 -0.013 0.000 0.791 295 G HN 0.495 nan 8.290 nan 0.000 0.502 296 R N -0.961 119.539 120.500 -0.000 0.000 2.750 296 R HA 0.666 5.006 4.340 0.001 0.000 0.281 296 R C 0.072 176.415 176.300 0.071 0.000 0.972 296 R CA -0.873 55.176 56.100 -0.085 0.000 0.912 296 R CB 1.350 31.586 30.300 -0.107 0.000 1.187 296 R HN 0.379 nan 8.270 nan 0.000 0.464 297 F N -0.881 119.022 119.950 -0.078 0.000 2.425 297 F HA 0.742 5.269 4.527 0.001 0.000 0.331 297 F C -0.405 175.238 175.800 -0.262 0.000 1.085 297 F CA -0.712 57.243 58.000 -0.075 0.000 1.028 297 F CB 1.616 40.503 39.000 -0.190 0.000 1.177 297 F HN 0.161 nan 8.300 nan 0.000 0.487 298 S N 2.003 117.771 115.700 0.115 0.000 2.548 298 S HA 0.691 5.161 4.470 0.001 0.000 0.286 298 S C -1.521 172.946 174.600 -0.222 0.000 1.098 298 S CA -0.537 57.475 58.200 -0.313 0.000 0.930 298 S CB 1.487 64.410 63.200 -0.461 0.000 1.070 298 S HN 0.456 nan 8.310 nan 0.000 0.480 299 F N 1.231 120.852 119.950 -0.548 0.000 2.495 299 F HA 0.700 5.228 4.527 0.001 0.000 0.327 299 F C -0.785 174.664 175.800 -0.586 0.000 1.103 299 F CA -1.709 56.064 58.000 -0.378 0.000 0.949 299 F CB 1.129 39.991 39.000 -0.230 0.000 1.142 299 F HN 0.569 nan 8.300 nan 0.000 0.457 300 W N 0.968 122.341 121.300 0.122 0.000 3.033 300 W HA 0.434 5.094 4.660 0.001 0.000 0.336 300 W C -1.060 175.429 176.519 -0.049 0.000 1.173 300 W CA -0.718 56.611 57.345 -0.027 0.000 1.185 300 W CB 1.194 30.580 29.460 -0.124 0.000 1.425 300 W HN 0.249 nan 8.180 nan 0.000 0.536 301 D N 1.517 122.027 120.400 0.184 0.000 2.440 301 D HA 0.185 4.825 4.640 0.001 0.000 0.239 301 D C 0.449 176.807 176.300 0.096 0.000 1.084 301 D CA -0.656 53.403 54.000 0.098 0.000 0.843 301 D CB 1.434 42.257 40.800 0.037 0.000 1.097 301 D HN 0.449 nan 8.370 nan 0.000 0.531 302 K N 2.097 122.567 120.400 0.116 0.000 2.459 302 K HA 0.104 4.424 4.320 0.001 0.000 0.193 302 K C 0.587 177.312 176.600 0.208 0.000 1.030 302 K CA 0.672 57.070 56.287 0.185 0.000 1.026 302 K CB 0.486 33.065 32.500 0.131 0.000 0.809 302 K HN 0.123 nan 8.250 nan 0.000 0.504 303 D N 1.262 121.727 120.400 0.109 0.000 2.202 303 D HA 0.048 4.688 4.640 0.001 0.000 0.214 303 D C 1.809 178.118 176.300 0.014 0.000 0.967 303 D CA 1.405 55.453 54.000 0.080 0.000 0.871 303 D CB -0.141 40.698 40.800 0.065 0.000 1.020 303 D HN 0.315 nan 8.370 nan 0.000 0.474 304 A N 0.644 123.465 122.820 0.002 0.000 2.119 304 A HA -0.049 4.271 4.320 0.001 0.000 0.217 304 A C 0.616 178.168 177.584 -0.054 0.000 1.153 304 A CA 0.343 52.363 52.037 -0.029 0.000 0.692 304 A CB -0.337 18.649 19.000 -0.023 0.000 0.799 304 A HN 0.239 nan 8.150 nan 0.000 0.458 305 R N -0.266 120.210 120.500 -0.040 0.000 3.261 305 R HA -0.120 4.220 4.340 0.001 0.000 0.257 305 R C -0.418 175.860 176.300 -0.036 0.000 1.014 305 R CA 0.786 56.840 56.100 -0.078 0.000 0.681 305 R CB -2.950 27.196 30.300 -0.256 0.000 1.155 305 R HN 0.717 nan 8.270 nan 0.000 0.424 306 T N -2.941 111.620 114.554 0.012 0.000 2.916 306 T HA 0.491 4.841 4.350 0.001 0.000 0.292 306 T C -0.324 174.441 174.700 0.108 0.000 1.055 306 T CA -1.182 60.939 62.100 0.035 0.000 1.009 306 T CB 2.870 71.736 68.868 -0.003 0.000 1.118 306 T HN 0.246 nan 8.240 nan 0.000 0.497 307 K N 1.948 122.378 120.400 0.050 0.000 2.248 307 K HA 0.400 4.720 4.320 0.001 0.000 0.281 307 K C 0.415 176.893 176.600 -0.204 0.000 1.054 307 K CA -0.704 55.469 56.287 -0.192 0.000 0.903 307 K CB 0.607 32.898 32.500 -0.349 0.000 1.077 307 K HN 0.660 nan 8.250 nan 0.000 0.474 308 L N 2.961 124.052 121.223 -0.219 0.000 2.249 308 L HA 0.128 4.469 4.340 0.001 0.000 0.207 308 L C 0.723 177.513 176.870 -0.134 0.000 1.090 308 L CA 0.640 55.410 54.840 -0.117 0.000 0.802 308 L CB 0.043 42.084 42.059 -0.029 0.000 0.947 308 L HN 0.617 nan 8.230 nan 0.000 0.453 309 K N -0.884 119.366 120.400 -0.250 0.000 2.598 309 K HA 0.302 4.622 4.320 0.001 0.000 0.271 309 K C -1.536 174.780 176.600 -0.473 0.000 0.947 309 K CA -0.408 55.712 56.287 -0.280 0.000 0.854 309 K CB 2.065 34.470 32.500 -0.158 0.000 1.401 309 K HN -0.298 nan 8.250 nan 0.000 0.415 310 T N 1.673 115.968 114.554 -0.431 0.000 2.841 310 T HA 0.311 4.661 4.350 0.001 0.000 0.283 310 T C -0.407 173.960 174.700 -0.555 0.000 1.000 310 T CA -0.687 61.113 62.100 -0.499 0.000 0.977 310 T CB 1.446 70.081 68.868 -0.389 0.000 0.979 310 T HN 0.660 nan 8.240 nan 0.000 0.446 311 S N 2.822 117.990 115.700 -0.887 0.000 2.608 311 S HA 0.301 4.771 4.470 0.001 0.000 0.261 311 S C 0.214 174.481 174.600 -0.555 0.000 1.314 311 S CA -0.820 56.778 58.200 -1.004 0.000 0.992 311 S CB 0.367 62.438 63.200 -1.882 0.000 0.935 311 S HN 0.568 nan 8.310 nan 0.000 0.564 312 E N 0.733 120.679 120.200 -0.423 0.000 2.422 312 E HA 0.029 4.379 4.350 0.001 0.000 0.260 312 E C -0.006 176.435 176.600 -0.264 0.000 1.108 312 E CA 0.044 56.278 56.400 -0.278 0.000 0.943 312 E CB 0.269 29.843 29.700 -0.209 0.000 0.961 312 E HN 0.742 nan 8.360 nan 0.000 0.443 313 Q N 1.558 121.250 119.800 -0.179 0.000 2.288 313 Q HA 0.171 4.511 4.340 0.001 0.000 0.258 313 Q C -0.670 175.274 176.000 -0.094 0.000 0.957 313 Q CA -0.645 55.076 55.803 -0.137 0.000 0.919 313 Q CB 0.497 29.171 28.738 -0.108 0.000 1.185 313 Q HN 0.221 nan 8.270 nan 0.000 0.408 314 L N 2.943 124.135 121.223 -0.053 0.000 2.476 314 L HA 0.026 4.367 4.340 0.001 0.000 0.255 314 L C 1.092 177.984 176.870 0.036 0.000 1.218 314 L CA 0.503 55.351 54.840 0.013 0.000 0.819 314 L CB 0.449 42.578 42.059 0.117 0.000 1.119 314 L HN 0.779 nan 8.230 nan 0.000 0.485 315 D N -0.918 119.529 120.400 0.078 0.000 2.340 315 D HA -0.020 4.620 4.640 0.001 0.000 0.220 315 D C 0.071 176.441 176.300 0.117 0.000 1.039 315 D CA 0.089 54.141 54.000 0.086 0.000 0.866 315 D CB 0.111 40.969 40.800 0.097 0.000 0.913 315 D HN 0.624 nan 8.370 nan 0.000 0.523 316 Q N -1.740 118.148 119.800 0.147 0.000 2.590 316 Q HA 0.530 4.871 4.340 0.001 0.000 0.295 316 Q C -3.272 172.831 176.000 0.171 0.000 0.973 316 Q CA -2.115 53.796 55.803 0.179 0.000 0.768 316 Q CB 1.101 29.976 28.738 0.227 0.000 1.479 316 Q HN -0.279 nan 8.270 nan 0.000 0.419 317 P HA 0.075 nan 4.420 nan 0.000 0.268 317 P C -0.838 176.566 177.300 0.173 0.000 1.208 317 P CA 0.263 63.443 63.100 0.134 0.000 0.777 317 P CB 0.390 32.164 31.700 0.123 0.000 0.875 318 I N 1.408 122.073 120.570 0.158 0.000 2.315 318 I HA 0.089 4.260 4.170 0.001 0.000 0.291 318 I C 1.242 177.452 176.117 0.155 0.000 1.006 318 I CA 0.241 61.674 61.300 0.222 0.000 1.265 318 I CB 1.203 39.384 38.000 0.302 0.000 1.387 318 I HN 0.350 nan 8.210 nan 0.000 0.475 319 S N 4.068 119.860 115.700 0.154 0.000 2.511 319 S HA 0.593 5.063 4.470 0.001 0.000 0.214 319 S C 0.448 175.121 174.600 0.122 0.000 0.997 319 S CA -0.007 58.262 58.200 0.115 0.000 0.908 319 S CB 0.532 63.797 63.200 0.108 0.000 0.803 319 S HN 0.739 nan 8.310 nan 0.000 0.504 320 A N 0.184 123.088 122.820 0.139 0.000 2.597 320 A HA 0.684 5.004 4.320 0.001 0.000 0.292 320 A C -0.804 176.854 177.584 0.123 0.000 1.057 320 A CA -0.477 51.637 52.037 0.129 0.000 0.674 320 A CB 0.686 19.751 19.000 0.109 0.000 1.278 320 A HN 1.296 nan 8.150 nan 0.000 0.416 321 C N -0.744 118.621 119.300 0.108 0.000 3.311 321 C HA 0.978 5.438 4.460 0.001 0.000 0.325 321 C C -0.356 174.662 174.990 0.048 0.000 1.352 321 C CA -0.477 58.551 59.018 0.016 0.000 1.308 321 C CB 0.588 28.387 27.740 0.099 0.000 1.619 321 C HN 2.670 nan 8.230 nan 0.000 0.469 322 C N -0.346 118.917 119.300 -0.062 0.000 3.259 322 C HA 0.851 5.311 4.460 0.001 0.000 0.344 322 C C -1.439 173.559 174.990 0.013 0.000 1.401 322 C CA -0.693 58.388 59.018 0.104 0.000 1.219 322 C CB 0.197 28.084 27.740 0.245 0.000 1.521 322 C HN 1.036 nan 8.230 nan 0.000 0.455 323 F N 2.296 122.449 119.950 0.338 0.000 2.556 323 F HA 0.578 5.106 4.527 0.001 0.000 0.327 323 F C 0.902 176.719 175.800 0.028 0.000 1.059 323 F CA -0.230 57.874 58.000 0.175 0.000 0.953 323 F CB 1.390 40.405 39.000 0.024 0.000 1.227 323 F HN 0.946 nan 8.300 nan 0.000 0.478 324 N N 0.539 119.049 118.700 -0.316 0.000 2.294 324 N HA -0.050 4.691 4.740 0.001 0.000 0.248 324 N C 0.916 176.269 175.510 -0.261 0.000 1.300 324 N CA 0.135 52.768 53.050 -0.695 0.000 0.925 324 N CB 0.023 37.748 38.487 -1.270 0.000 1.188 324 N HN 0.864 nan 8.380 nan 0.000 0.512 325 H N -0.935 118.027 119.070 -0.180 0.000 2.421 325 H HA -0.078 4.479 4.556 0.001 0.000 0.298 325 H C 0.681 175.925 175.328 -0.140 0.000 1.087 325 H CA 2.029 58.015 56.048 -0.104 0.000 1.330 325 H CB -0.404 29.306 29.762 -0.086 0.000 1.388 325 H HN 0.731 nan 8.280 nan 0.000 0.526 326 N N -0.653 117.657 118.700 -0.650 0.000 2.203 326 N HA 0.123 4.863 4.740 0.001 0.000 0.207 326 N C 1.387 176.631 175.510 -0.443 0.000 1.130 326 N CA 0.354 53.150 53.050 -0.423 0.000 0.861 326 N CB 0.357 38.601 38.487 -0.405 0.000 1.005 326 N HN 0.624 nan 8.380 nan 0.000 0.507 327 G N 0.656 109.162 108.800 -0.490 0.000 2.168 327 G HA2 -0.365 3.596 3.960 0.001 0.000 0.263 327 G HA3 -0.365 3.596 3.960 0.001 0.000 0.263 327 G C 0.752 175.546 174.900 -0.177 0.000 0.977 327 G CA 0.429 45.164 45.100 -0.610 0.000 0.659 327 G HN 0.416 nan 8.290 nan 0.000 0.533 328 N N -0.103 118.481 118.700 -0.194 0.000 2.459 328 N HA 0.077 4.817 4.740 0.001 0.000 0.181 328 N C 0.868 176.303 175.510 -0.124 0.000 1.046 328 N CA 1.039 54.007 53.050 -0.137 0.000 0.904 328 N CB 0.127 38.490 38.487 -0.207 0.000 0.964 328 N HN 0.622 nan 8.380 nan 0.000 0.444 329 I N -0.076 120.436 120.570 -0.096 0.000 2.466 329 I HA 0.249 4.420 4.170 0.001 0.000 0.289 329 I C -1.036 175.208 176.117 0.212 0.000 1.026 329 I CA -0.905 60.405 61.300 0.017 0.000 1.078 329 I CB 2.001 39.956 38.000 -0.075 0.000 1.249 329 I HN -0.204 nan 8.210 nan 0.000 0.429 330 F N 6.131 126.163 119.950 0.137 0.000 2.427 330 F HA 0.799 5.326 4.527 0.001 0.000 0.346 330 F C -0.138 175.774 175.800 0.187 0.000 1.120 330 F CA -0.444 57.549 58.000 -0.010 0.000 1.033 330 F CB 1.075 40.024 39.000 -0.086 0.000 1.126 330 F HN 0.504 nan 8.300 nan 0.000 0.462 331 A N 6.120 128.740 122.820 -0.335 0.000 2.330 331 A HA 0.675 4.995 4.320 0.001 0.000 0.327 331 A C -1.924 175.357 177.584 -0.505 0.000 1.155 331 A CA -0.486 51.408 52.037 -0.238 0.000 0.803 331 A CB 0.545 19.554 19.000 0.014 0.000 1.208 331 A HN 0.877 nan 8.150 nan 0.000 0.477 332 Y N -0.569 119.464 120.300 -0.444 0.000 2.492 332 Y HA 0.784 5.334 4.550 0.001 0.000 0.346 332 Y C -0.300 175.583 175.900 -0.029 0.000 0.997 332 Y CA -1.491 56.461 58.100 -0.246 0.000 1.025 332 Y CB 1.221 39.582 38.460 -0.165 0.000 1.263 332 Y HN 0.837 nan 8.280 nan 0.000 0.454 333 A N 2.016 124.877 122.820 0.067 0.000 2.288 333 A HA 0.603 4.924 4.320 0.001 0.000 0.320 333 A C -0.466 177.198 177.584 0.133 0.000 1.217 333 A CA -0.646 51.387 52.037 -0.007 0.000 0.840 333 A CB 0.819 19.825 19.000 0.010 0.000 1.179 333 A HN 0.819 nan 8.150 nan 0.000 0.504 334 S N 2.222 117.989 115.700 0.111 0.000 2.404 334 S HA 0.636 5.106 4.470 0.001 0.000 0.309 334 S C -0.305 174.415 174.600 0.200 0.000 1.076 334 S CA -0.165 58.188 58.200 0.254 0.000 1.095 334 S CB -0.241 63.206 63.200 0.412 0.000 0.972 334 S HN 0.760 nan 8.310 nan 0.000 0.484 335 S N 3.353 119.176 115.700 0.205 0.000 2.535 335 S HA 0.303 4.773 4.470 0.001 0.000 0.272 335 S C -1.572 173.177 174.600 0.250 0.000 1.149 335 S CA -0.640 57.684 58.200 0.207 0.000 0.888 335 S CB 0.747 64.041 63.200 0.157 0.000 1.110 335 S HN 0.721 nan 8.310 nan 0.000 0.463 336 Y N 3.363 123.766 120.300 0.172 0.000 2.597 336 Y HA 0.128 4.679 4.550 0.001 0.000 0.336 336 Y C 1.021 177.005 175.900 0.140 0.000 1.216 336 Y CA 0.091 58.299 58.100 0.180 0.000 1.463 336 Y CB 0.549 39.175 38.460 0.275 0.000 1.303 336 Y HN 0.797 nan 8.280 nan 0.000 0.576 337 D N 3.281 123.358 120.400 -0.539 0.000 2.469 337 D HA -0.048 4.593 4.640 0.001 0.000 0.215 337 D C 0.650 176.692 176.300 -0.429 0.000 1.154 337 D CA -0.174 53.604 54.000 -0.370 0.000 0.832 337 D CB -0.606 40.096 40.800 -0.163 0.000 1.008 337 D HN 0.856 nan 8.370 nan 0.000 0.506 338 W N 1.563 122.050 121.300 -1.356 0.000 3.160 338 W HA -0.334 4.327 4.660 0.001 0.000 0.299 338 W C 0.923 177.206 176.519 -0.394 0.000 1.141 338 W CA 0.862 57.742 57.345 -0.774 0.000 0.612 338 W CB -1.775 27.427 29.460 -0.432 0.000 2.186 338 W HN 0.252 nan 8.180 nan 0.000 1.364 339 S N -0.622 114.892 115.700 -0.311 0.000 2.469 339 S HA -0.100 4.370 4.470 0.001 0.000 0.238 339 S C 1.133 175.687 174.600 -0.076 0.000 0.998 339 S CA 1.337 59.476 58.200 -0.101 0.000 0.957 339 S CB -0.062 63.115 63.200 -0.038 0.000 0.764 339 S HN 0.441 nan 8.310 nan 0.000 0.514 340 K N 1.007 121.369 120.400 -0.063 0.000 2.506 340 K HA 0.410 4.731 4.320 0.001 0.000 0.204 340 K C 0.807 177.372 176.600 -0.060 0.000 1.045 340 K CA 0.166 56.359 56.287 -0.156 0.000 1.074 340 K CB 0.891 33.050 32.500 -0.569 0.000 0.842 340 K HN 0.438 nan 8.250 nan 0.000 0.514 341 G N 2.020 110.726 108.800 -0.157 0.000 2.725 341 G HA2 -0.329 3.631 3.960 0.001 0.000 0.220 341 G HA3 -0.329 3.631 3.960 0.001 0.000 0.220 341 G C 0.469 174.944 174.900 -0.708 0.000 1.357 341 G CA 0.143 45.040 45.100 -0.339 0.000 0.866 341 G HN 0.484 nan 8.290 nan 0.000 0.548 342 H N 0.292 119.012 119.070 -0.583 0.000 2.457 342 H HA 0.073 4.629 4.556 0.001 0.000 0.294 342 H C 1.974 177.150 175.328 -0.254 0.000 1.064 342 H CA 1.870 57.598 56.048 -0.534 0.000 1.330 342 H CB -0.158 29.631 29.762 0.044 0.000 1.395 342 H HN 0.731 nan 8.280 nan 0.000 0.541 343 E N -0.023 119.719 120.200 -0.763 0.000 2.265 343 E HA -0.084 4.266 4.350 0.001 0.000 0.196 343 E C 0.499 176.759 176.600 -0.566 0.000 0.996 343 E CA 0.684 56.691 56.400 -0.656 0.000 0.832 343 E CB -0.002 29.362 29.700 -0.560 0.000 0.756 343 E HN 0.461 nan 8.360 nan 0.000 0.491 344 F N -1.065 118.630 119.950 -0.426 0.000 2.653 344 F HA 0.133 4.660 4.527 0.001 0.000 0.304 344 F C 0.333 175.655 175.800 -0.796 0.000 1.092 344 F CA -0.509 57.203 58.000 -0.480 0.000 1.279 344 F CB 0.149 38.932 39.000 -0.362 0.000 1.044 344 F HN -0.058 nan 8.300 nan 0.000 0.564 345 Y N 2.051 121.952 120.300 -0.665 0.000 2.436 345 Y HA 0.222 4.773 4.550 0.001 0.000 0.336 345 Y C 0.171 175.910 175.900 -0.267 0.000 1.049 345 Y CA -0.538 57.250 58.100 -0.521 0.000 1.294 345 Y CB 0.284 38.608 38.460 -0.226 0.000 1.179 345 Y HN -0.094 nan 8.280 nan 0.000 0.520 346 N N 9.043 127.406 118.700 -0.562 0.000 2.626 346 N HA 0.264 5.004 4.740 0.001 0.000 0.242 346 N C -2.221 172.902 175.510 -0.646 0.000 1.005 346 N CA -2.553 50.200 53.050 -0.495 0.000 0.905 346 N CB 1.294 39.617 38.487 -0.272 0.000 1.128 346 N HN 0.427 nan 8.380 nan 0.000 0.512 347 P HA -0.052 nan 4.420 nan 0.000 0.234 347 P C 0.456 177.617 177.300 -0.233 0.000 1.167 347 P CA 0.959 63.687 63.100 -0.621 0.000 0.763 347 P CB 0.616 32.096 31.700 -0.368 0.000 0.835 348 Q N -0.576 119.104 119.800 -0.200 0.000 2.396 348 Q HA 0.077 4.417 4.340 0.001 0.000 0.209 348 Q C 0.870 176.818 176.000 -0.086 0.000 0.906 348 Q CA -0.017 55.719 55.803 -0.110 0.000 0.927 348 Q CB 0.281 28.964 28.738 -0.092 0.000 1.069 348 Q HN 0.208 nan 8.270 nan 0.000 0.523 349 K N 2.120 122.464 120.400 -0.094 0.000 2.412 349 K HA 0.022 4.342 4.320 0.001 0.000 0.281 349 K C -0.221 176.360 176.600 -0.031 0.000 1.027 349 K CA 0.115 56.380 56.287 -0.038 0.000 0.989 349 K CB 0.583 33.072 32.500 -0.017 0.000 0.935 349 K HN -0.197 nan 8.250 nan 0.000 0.475 350 K N 3.139 123.510 120.400 -0.048 0.000 2.237 350 K HA 0.078 4.398 4.320 0.001 0.000 0.270 350 K C -0.449 176.002 176.600 -0.248 0.000 1.015 350 K CA -0.333 55.830 56.287 -0.206 0.000 0.949 350 K CB 0.564 32.838 32.500 -0.376 0.000 0.976 350 K HN 0.657 nan 8.250 nan 0.000 0.472 351 N N 2.397 120.904 118.700 -0.321 0.000 2.473 351 N HA 0.246 4.986 4.740 0.001 0.000 0.291 351 N C -1.188 173.988 175.510 -0.557 0.000 1.083 351 N CA -0.143 52.765 53.050 -0.237 0.000 0.951 351 N CB 0.986 39.428 38.487 -0.075 0.000 1.164 351 N HN 0.355 nan 8.380 nan 0.000 0.480 352 Y N 0.330 120.490 120.300 -0.233 0.000 2.512 352 Y HA 0.520 5.070 4.550 0.001 0.000 0.348 352 Y C 0.055 175.544 175.900 -0.684 0.000 0.990 352 Y CA -0.822 56.939 58.100 -0.564 0.000 1.033 352 Y CB 1.831 39.681 38.460 -1.017 0.000 1.259 352 Y HN 0.239 nan 8.280 nan 0.000 0.461 353 I N 3.391 123.620 120.570 -0.569 0.000 2.378 353 I HA 0.376 4.547 4.170 0.001 0.000 0.291 353 I C -1.111 174.589 176.117 -0.695 0.000 0.992 353 I CA -0.422 60.529 61.300 -0.583 0.000 1.154 353 I CB 0.979 38.667 38.000 -0.521 0.000 1.315 353 I HN 0.405 nan 8.210 nan 0.000 0.448 354 F N 6.047 125.698 119.950 -0.498 0.000 2.492 354 F HA 0.659 5.186 4.527 0.001 0.000 0.327 354 F C -0.210 175.349 175.800 -0.403 0.000 1.079 354 F CA -0.871 56.807 58.000 -0.536 0.000 0.967 354 F CB 1.669 40.128 39.000 -0.902 0.000 1.169 354 F HN 0.109 nan 8.300 nan 0.000 0.472 355 L N 2.618 123.867 121.223 0.043 0.000 2.381 355 L HA 0.697 5.037 4.340 0.001 0.000 0.268 355 L C -0.656 176.458 176.870 0.407 0.000 0.997 355 L CA -0.849 54.103 54.840 0.187 0.000 0.818 355 L CB 2.450 44.569 42.059 0.101 0.000 1.310 355 L HN 0.599 nan 8.230 nan 0.000 0.416 356 R N 1.304 122.158 120.500 0.590 0.000 2.604 356 R HA 0.371 4.711 4.340 0.001 0.000 0.281 356 R C -1.222 175.326 176.300 0.414 0.000 1.020 356 R CA -0.755 55.688 56.100 0.572 0.000 0.899 356 R CB 1.666 32.278 30.300 0.520 0.000 1.205 356 R HN 0.558 nan 8.270 nan 0.000 0.450 357 N N 2.830 121.652 118.700 0.204 0.000 2.508 357 N HA 0.143 4.883 4.740 0.001 0.000 0.253 357 N C -0.288 175.269 175.510 0.080 0.000 1.145 357 N CA 0.164 53.183 53.050 -0.052 0.000 0.973 357 N CB 1.602 39.951 38.487 -0.229 0.000 1.305 357 N HN 0.628 nan 8.380 nan 0.000 0.506 358 A N 0.911 123.807 122.820 0.127 0.000 2.465 358 A HA 0.360 4.680 4.320 0.001 0.000 0.255 358 A C 1.820 179.395 177.584 -0.014 0.000 1.274 358 A CA 0.116 52.208 52.037 0.092 0.000 0.920 358 A CB 0.142 19.182 19.000 0.066 0.000 1.033 358 A HN 0.506 nan 8.150 nan 0.000 0.516 359 A N 0.357 123.195 122.820 0.030 0.000 1.908 359 A HA -0.161 4.160 4.320 0.001 0.000 0.218 359 A C 1.844 179.391 177.584 -0.061 0.000 1.181 359 A CA 1.708 53.754 52.037 0.015 0.000 0.627 359 A CB -0.259 18.791 19.000 0.083 0.000 0.818 359 A HN 0.404 nan 8.150 nan 0.000 0.445 360 E N -0.302 119.871 120.200 -0.045 0.000 2.285 360 E HA -0.094 4.257 4.350 0.001 0.000 0.194 360 E C 1.739 178.281 176.600 -0.097 0.000 0.997 360 E CA 0.771 57.123 56.400 -0.080 0.000 0.845 360 E CB -0.216 29.456 29.700 -0.047 0.000 0.782 360 E HN 0.776 nan 8.360 nan 0.000 0.491 361 E N 0.208 120.379 120.200 -0.049 0.000 2.268 361 E HA -0.066 4.284 4.350 0.001 0.000 0.195 361 E C 1.403 177.947 176.600 -0.094 0.000 0.995 361 E CA 0.433 56.841 56.400 0.013 0.000 0.836 361 E CB 0.125 29.955 29.700 0.217 0.000 0.763 361 E HN 0.123 nan 8.360 nan 0.000 0.491 362 L N 0.305 121.365 121.223 -0.272 0.000 2.667 362 L HA 0.133 4.474 4.340 0.001 0.000 0.232 362 L C 0.524 177.169 176.870 -0.374 0.000 1.138 362 L CA -0.024 54.596 54.840 -0.365 0.000 0.921 362 L CB 0.426 42.160 42.059 -0.543 0.000 1.180 362 L HN -0.169 nan 8.230 nan 0.000 0.487 363 K N 1.890 122.023 120.400 -0.446 0.000 2.281 363 K HA 0.341 4.662 4.320 0.001 0.000 0.272 363 K C -2.388 173.991 176.600 -0.370 0.000 1.048 363 K CA -1.832 54.023 56.287 -0.720 0.000 0.898 363 K CB 1.149 33.137 32.500 -0.854 0.000 1.128 363 K HN -0.197 nan 8.250 nan 0.000 0.460 364 P HA 0.059 nan 4.420 nan 0.000 0.271 364 P C -0.664 176.546 177.300 -0.149 0.000 1.216 364 P CA -0.254 62.748 63.100 -0.163 0.000 0.771 364 P CB 0.776 32.410 31.700 -0.111 0.000 0.864 365 R N 0.000 120.434 120.500 -0.111 0.000 2.786 365 R HA 0.000 4.340 4.340 0.001 0.000 0.208 365 R CA 0.000 56.045 56.100 -0.091 0.000 0.921 365 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 365 R HN 0.000 nan 8.270 nan 0.000 0.535