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 1ex5_1_A DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVAPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGQAGA DATA SEQUENCE AASESLFISN HAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.324 177.300 0.040 0.000 1.155 1 P CA 0.000 63.140 63.100 0.067 0.000 0.800 1 P CB 0.000 31.715 31.700 0.024 0.000 0.726 2 H N 0.784 119.888 119.070 0.058 0.000 2.519 2 H HA 0.218 nan 4.556 nan 0.000 0.316 2 H C -0.593 174.788 175.328 0.089 0.000 1.065 2 H CA -0.396 55.681 56.048 0.048 0.000 1.264 2 H CB 1.162 30.959 29.762 0.058 0.000 1.413 2 H HN 0.148 8.572 8.280 0.239 0.000 0.465 3 S N 3.442 119.125 115.700 -0.028 0.000 2.584 3 S HA -0.083 nan 4.470 nan 0.000 0.270 3 S C -0.395 174.142 174.600 -0.105 0.000 1.346 3 S CA 0.085 58.257 58.200 -0.047 0.000 1.018 3 S CB 0.458 63.579 63.200 -0.132 0.000 0.899 3 S HN 0.525 8.716 8.310 -0.198 0.000 0.542 4 H N 1.850 120.857 119.070 -0.106 0.000 3.149 4 H HA 0.168 nan 4.556 nan 0.000 0.334 4 H C -1.921 173.360 175.328 -0.079 0.000 1.000 4 H CA -1.547 54.465 56.048 -0.061 0.000 1.415 4 H CB 1.094 30.832 29.762 -0.039 0.000 1.819 4 H HN 0.087 8.352 8.280 -0.025 0.000 0.486 5 P HA 0.066 nan 4.420 nan 0.000 0.269 5 P C -1.115 176.193 177.300 0.014 0.000 1.252 5 P CA 0.076 63.172 63.100 -0.007 0.000 0.780 5 P CB 0.609 32.292 31.700 -0.028 0.000 0.829 6 A N 4.380 127.209 122.820 0.015 0.000 2.067 6 A HA -0.060 nan 4.320 nan 0.000 0.217 6 A C -0.870 176.709 177.584 -0.009 0.000 1.156 6 A CA 1.489 53.540 52.037 0.023 0.000 0.683 6 A CB 0.500 19.533 19.000 0.055 0.000 0.808 6 A HN 0.371 8.528 8.150 0.011 0.000 0.455 7 L N -3.611 117.587 121.223 -0.042 0.000 2.388 7 L HA 0.135 nan 4.340 nan 0.000 0.264 7 L C -0.877 175.933 176.870 -0.100 0.000 0.998 7 L CA -0.911 53.875 54.840 -0.089 0.000 0.817 7 L CB 3.546 45.503 42.059 -0.170 0.000 1.338 7 L HN -0.768 7.395 8.230 -0.040 0.042 0.414 8 T N -2.131 112.367 114.554 -0.094 0.000 2.936 8 T HA 0.537 nan 4.350 nan 0.000 0.282 8 T C -0.732 173.902 174.700 -0.110 0.000 1.003 8 T CA -3.434 58.617 62.100 -0.082 0.000 1.005 8 T CB 0.350 69.186 68.868 -0.054 0.000 1.097 8 T HN 0.052 8.458 8.240 -0.085 -0.217 0.532 9 P HA -0.285 nan 4.420 nan 0.000 0.217 9 P C 1.520 178.770 177.300 -0.082 0.000 1.151 9 P CA 3.366 66.414 63.100 -0.087 0.000 0.849 9 P CB 0.058 31.727 31.700 -0.052 0.000 0.787 10 E N -3.487 116.675 120.200 -0.063 0.000 2.072 10 E HA -0.256 nan 4.350 nan 0.000 0.191 10 E C 2.685 179.251 176.600 -0.057 0.000 0.985 10 E CA 3.327 59.699 56.400 -0.048 0.000 0.801 10 E CB -1.045 28.635 29.700 -0.033 0.000 0.750 10 E HN 0.071 8.372 8.360 -0.058 0.024 0.452 11 Q N -0.382 119.371 119.800 -0.078 0.000 2.050 11 Q HA -0.334 nan 4.340 nan 0.000 0.202 11 Q C 2.396 178.318 176.000 -0.130 0.000 0.980 11 Q CA 3.130 58.882 55.803 -0.085 0.000 0.840 11 Q CB 0.049 28.733 28.738 -0.091 0.000 0.898 11 Q HN -0.613 7.520 8.270 -0.081 0.088 0.424 12 K N -0.637 119.615 120.400 -0.247 0.000 1.991 12 K HA -0.357 nan 4.320 nan 0.000 0.212 12 K C 2.889 179.409 176.600 -0.132 0.000 1.049 12 K CA 3.296 59.307 56.287 -0.459 0.000 0.932 12 K CB -0.234 31.848 32.500 -0.697 0.000 0.717 12 K HN 0.199 8.310 8.250 -0.231 0.000 0.441 13 K N -1.010 119.349 120.400 -0.068 0.000 2.127 13 K HA -0.361 nan 4.320 nan 0.000 0.208 13 K C 1.991 178.612 176.600 0.035 0.000 1.047 13 K CA 2.998 59.290 56.287 0.009 0.000 0.927 13 K CB -0.282 32.212 32.500 -0.011 0.000 0.716 13 K HN 0.026 8.213 8.250 -0.105 0.000 0.450 14 E N -1.051 119.160 120.200 0.018 0.000 2.047 14 E HA -0.249 nan 4.350 nan 0.000 0.191 14 E C 2.232 178.874 176.600 0.071 0.000 0.987 14 E CA 2.979 59.400 56.400 0.036 0.000 0.799 14 E CB -0.233 29.479 29.700 0.020 0.000 0.752 14 E HN -0.767 7.569 8.360 -0.012 0.017 0.449 15 L N -2.078 119.200 121.223 0.091 0.000 2.131 15 L HA -0.294 nan 4.340 nan 0.000 0.210 15 L C 2.562 179.542 176.870 0.185 0.000 1.092 15 L CA 2.754 57.678 54.840 0.140 0.000 0.759 15 L CB -0.312 41.854 42.059 0.180 0.000 0.903 15 L HN -0.631 7.634 8.230 0.059 0.000 0.435 16 S N -1.385 114.462 115.700 0.245 0.000 2.428 16 S HA -0.282 nan 4.470 nan 0.000 0.230 16 S C 1.380 176.101 174.600 0.202 0.000 1.014 16 S CA 3.644 61.996 58.200 0.254 0.000 0.957 16 S CB -0.486 62.886 63.200 0.287 0.000 0.784 16 S HN 0.104 8.540 8.310 0.240 0.018 0.499 17 D N 3.683 124.157 120.400 0.124 0.000 2.110 17 D HA -0.115 nan 4.640 nan 0.000 0.202 17 D C 2.240 178.594 176.300 0.089 0.000 0.975 17 D CA 3.020 57.071 54.000 0.084 0.000 0.839 17 D CB -0.388 40.441 40.800 0.048 0.000 0.996 17 D HN -0.986 7.312 8.370 0.113 0.140 0.464 18 I N -0.419 120.196 120.570 0.076 0.000 2.264 18 I HA -0.522 nan 4.170 nan 0.000 0.248 18 I C 1.537 177.659 176.117 0.008 0.000 1.111 18 I CA 4.016 65.348 61.300 0.053 0.000 1.382 18 I CB -0.180 37.865 38.000 0.076 0.000 1.060 18 I HN -0.435 7.824 8.210 0.082 0.000 0.418 19 A N -1.345 121.488 122.820 0.022 0.000 1.877 19 A HA -0.354 nan 4.320 nan 0.000 0.216 19 A C 1.951 179.477 177.584 -0.096 0.000 1.186 19 A CA 3.238 55.238 52.037 -0.061 0.000 0.620 19 A CB -0.893 18.081 19.000 -0.044 0.000 0.822 19 A HN -0.566 7.612 8.150 0.071 0.014 0.443 20 H N -1.947 117.093 119.070 -0.051 0.000 2.462 20 H HA -0.169 nan 4.556 nan 0.000 0.292 20 H C 2.396 177.690 175.328 -0.057 0.000 1.049 20 H CA 3.225 59.245 56.048 -0.048 0.000 1.334 20 H CB 0.008 29.755 29.762 -0.025 0.000 1.404 20 H HN -0.650 7.768 8.280 0.230 0.000 0.544 21 R N -1.541 118.989 120.500 0.051 0.000 2.090 21 R HA -0.218 nan 4.340 nan 0.000 0.228 21 R C 2.336 178.600 176.300 -0.061 0.000 1.110 21 R CA 2.941 59.043 56.100 0.003 0.000 0.973 21 R CB 0.192 30.497 30.300 0.008 0.000 0.869 21 R HN -0.551 7.727 8.270 0.059 0.027 0.440 22 I N -0.982 119.511 120.570 -0.128 0.000 2.406 22 I HA -0.252 nan 4.170 nan 0.000 0.249 22 I C 0.417 176.403 176.117 -0.219 0.000 1.122 22 I CA 2.260 63.431 61.300 -0.215 0.000 1.431 22 I CB 0.732 38.498 38.000 -0.391 0.000 1.087 22 I HN -0.776 7.357 8.210 -0.128 0.000 0.424 23 V N -8.070 111.725 119.914 -0.198 0.000 3.421 23 V HA 0.244 nan 4.120 nan 0.000 0.316 23 V C 0.341 176.370 176.094 -0.110 0.000 1.347 23 V CA -2.459 59.731 62.300 -0.184 0.000 1.183 23 V CB -1.832 29.869 31.823 -0.204 0.000 1.092 23 V HN -0.793 7.285 8.190 -0.186 0.000 0.433 24 A N 2.423 125.198 122.820 -0.075 0.000 2.531 24 A HA 0.179 nan 4.320 nan 0.000 0.236 24 A C -1.786 175.786 177.584 -0.020 0.000 1.062 24 A CA -2.097 49.925 52.037 -0.024 0.000 0.760 24 A CB -0.876 18.117 19.000 -0.011 0.000 0.995 24 A HN -0.656 7.356 8.150 -0.087 0.087 0.501 25 P HA -0.307 nan 4.420 nan 0.000 0.257 25 P C 0.068 177.381 177.300 0.022 0.000 1.153 25 P CA 1.547 64.657 63.100 0.017 0.000 0.762 25 P CB -0.672 31.041 31.700 0.023 0.000 0.743 26 G N 3.417 112.242 108.800 0.041 0.000 2.317 26 G HA2 -0.385 nan 3.960 nan 0.000 0.227 26 G HA3 -0.385 nan 3.960 nan 0.000 0.227 26 G C -0.188 174.756 174.900 0.073 0.000 1.042 26 G CA -0.091 45.048 45.100 0.065 0.000 0.623 26 G HN 0.157 8.476 8.290 0.048 0.000 0.509 27 K N 4.848 125.248 120.400 0.000 0.000 2.326 27 K HA 0.163 nan 4.320 nan 0.000 0.275 27 K C -1.147 175.311 176.600 -0.238 0.000 1.018 27 K CA 0.577 56.820 56.287 -0.073 0.000 0.962 27 K CB 0.454 32.899 32.500 -0.091 0.000 0.953 27 K HN -0.034 8.113 8.250 -0.010 0.097 0.475 28 G N -0.541 107.960 108.800 -0.498 0.000 3.105 28 G HA2 0.788 nan 3.960 nan 0.000 0.277 28 G HA3 0.788 nan 3.960 nan 0.000 0.277 28 G C -2.489 171.887 174.900 -0.873 0.000 1.375 28 G CA -1.754 42.537 45.100 -1.349 0.000 0.962 28 G HN 0.281 8.388 8.290 -0.305 0.000 0.541 29 I N -1.552 118.480 120.570 -0.897 0.000 2.433 29 I HA 0.502 nan 4.170 nan 0.000 0.292 29 I C -2.012 174.029 176.117 -0.127 0.000 1.001 29 I CA -1.126 59.960 61.300 -0.358 0.000 1.119 29 I CB 3.254 41.096 38.000 -0.263 0.000 1.289 29 I HN 0.567 7.865 8.210 -1.322 0.119 0.438 30 L N 7.714 128.944 121.223 0.011 0.000 2.259 30 L HA 0.427 nan 4.340 nan 0.000 0.288 30 L C -2.386 174.532 176.870 0.080 0.000 1.051 30 L CA -2.043 52.855 54.840 0.097 0.000 0.824 30 L CB 1.352 43.470 42.059 0.097 0.000 1.206 30 L HN 0.863 8.992 8.230 0.007 0.105 0.429 31 A N 8.098 130.978 122.820 0.100 0.000 2.774 31 A HA 0.428 nan 4.320 nan 0.000 0.326 31 A C -1.507 176.120 177.584 0.072 0.000 1.478 31 A CA -1.089 51.002 52.037 0.089 0.000 1.099 31 A CB -0.268 18.794 19.000 0.104 0.000 1.148 31 A HN -0.180 8.053 8.150 0.138 0.000 0.519 32 A N 1.951 124.793 122.820 0.036 0.000 3.106 32 A HA 0.326 nan 4.320 nan 0.000 0.306 32 A C -1.378 176.234 177.584 0.047 0.000 1.192 32 A CA -1.062 50.985 52.037 0.017 0.000 0.994 32 A CB 0.178 19.133 19.000 -0.076 0.000 1.107 32 A HN -0.304 7.861 8.150 0.025 0.000 0.585 33 D N -2.017 118.435 120.400 0.087 0.000 3.071 33 D HA 0.037 nan 4.640 nan 0.000 0.259 33 D C -1.155 175.252 176.300 0.179 0.000 1.331 33 D CA -0.896 53.207 54.000 0.172 0.000 0.861 33 D CB -0.900 39.996 40.800 0.161 0.000 1.059 33 D HN 0.067 8.412 8.370 0.082 0.074 0.486 34 E N 0.059 120.285 120.200 0.043 0.000 2.338 34 E HA -0.019 nan 4.350 nan 0.000 0.272 34 E C -0.209 176.226 176.600 -0.276 0.000 1.029 34 E CA 0.017 56.399 56.400 -0.030 0.000 0.872 34 E CB 0.508 30.197 29.700 -0.017 0.000 1.015 34 E HN -0.737 7.578 8.360 0.032 0.064 0.417 35 S N 2.854 118.427 115.700 -0.211 0.000 2.584 35 S HA -0.040 nan 4.470 nan 0.000 0.270 35 S C 1.397 175.764 174.600 -0.389 0.000 1.346 35 S CA -0.066 57.873 58.200 -0.436 0.000 1.018 35 S CB 1.111 64.329 63.200 0.030 0.000 0.899 35 S HN 0.130 8.419 8.310 -0.036 0.000 0.542 36 T N 4.880 119.184 114.554 -0.416 0.000 2.680 36 T HA -0.317 nan 4.350 nan 0.000 0.268 36 T C 1.987 176.624 174.700 -0.105 0.000 1.033 36 T CA 4.281 66.260 62.100 -0.203 0.000 1.152 36 T CB -0.580 68.235 68.868 -0.088 0.000 0.859 36 T HN 0.636 8.538 8.240 -0.563 0.000 0.452 37 G N -0.450 108.308 108.800 -0.070 0.000 2.404 37 G HA2 -0.134 nan 3.960 nan 0.000 0.214 37 G HA3 -0.134 nan 3.960 nan 0.000 0.214 37 G C 1.084 175.959 174.900 -0.042 0.000 1.189 37 G CA 1.550 46.627 45.100 -0.038 0.000 0.789 37 G HN -0.085 8.151 8.290 -0.064 0.016 0.533 38 S N 2.023 117.697 115.700 -0.044 0.000 2.387 38 S HA -0.230 nan 4.470 nan 0.000 0.230 38 S C 2.172 176.747 174.600 -0.041 0.000 1.035 38 S CA 3.425 61.605 58.200 -0.033 0.000 1.014 38 S CB -0.070 63.118 63.200 -0.020 0.000 0.836 38 S HN -0.844 7.438 8.310 -0.047 0.000 0.466 39 I N -0.321 120.212 120.570 -0.063 0.000 2.876 39 I HA -0.126 nan 4.170 nan 0.000 0.264 39 I C 0.754 176.831 176.117 -0.066 0.000 1.204 39 I CA -0.100 61.163 61.300 -0.062 0.000 1.485 39 I CB -1.090 36.876 38.000 -0.055 0.000 1.103 39 I HN 0.013 8.136 8.210 -0.090 0.033 0.446 40 A N 1.029 123.815 122.820 -0.056 0.000 1.908 40 A HA -0.420 nan 4.320 nan 0.000 0.218 40 A C 1.846 179.402 177.584 -0.047 0.000 1.181 40 A CA 3.712 55.721 52.037 -0.047 0.000 0.627 40 A CB -0.920 18.058 19.000 -0.036 0.000 0.818 40 A HN 0.073 7.888 8.150 -0.058 0.300 0.445 41 K N -2.200 118.176 120.400 -0.041 0.000 2.025 41 K HA -0.324 nan 4.320 nan 0.000 0.207 41 K C 2.593 179.167 176.600 -0.045 0.000 1.049 41 K CA 3.595 59.860 56.287 -0.036 0.000 0.933 41 K CB -0.278 32.206 32.500 -0.026 0.000 0.714 41 K HN -0.628 7.594 8.250 -0.039 0.004 0.438 42 R N -1.932 118.536 120.500 -0.055 0.000 2.117 42 R HA -0.300 nan 4.340 nan 0.000 0.243 42 R C 2.612 178.858 176.300 -0.090 0.000 1.143 42 R CA 2.443 58.502 56.100 -0.069 0.000 0.968 42 R CB -0.583 29.666 30.300 -0.085 0.000 0.863 42 R HN -0.788 7.391 8.270 -0.051 0.060 0.444 43 L N -1.251 119.909 121.223 -0.105 0.000 2.023 43 L HA -0.116 nan 4.340 nan 0.000 0.205 43 L C 2.039 178.859 176.870 -0.083 0.000 1.073 43 L CA 2.293 57.074 54.840 -0.098 0.000 0.745 43 L CB -0.902 41.104 42.059 -0.088 0.000 0.900 43 L HN 0.072 8.220 8.230 -0.099 0.022 0.435 44 Q N -0.618 119.141 119.800 -0.069 0.000 2.217 44 Q HA -0.427 nan 4.340 nan 0.000 0.209 44 Q C 2.741 178.710 176.000 -0.051 0.000 0.988 44 Q CA 3.258 59.025 55.803 -0.061 0.000 0.878 44 Q CB -0.401 28.311 28.738 -0.044 0.000 0.909 44 Q HN 0.038 8.270 8.270 -0.063 0.000 0.424 45 S N -2.406 113.270 115.700 -0.039 0.000 2.660 45 S HA -0.155 nan 4.470 nan 0.000 0.223 45 S C 0.152 174.739 174.600 -0.021 0.000 0.963 45 S CA 2.338 60.524 58.200 -0.023 0.000 0.932 45 S CB -0.023 63.168 63.200 -0.014 0.000 0.775 45 S HN -0.572 7.646 8.310 -0.042 0.067 0.531 46 I N -8.731 111.810 120.570 -0.048 0.000 3.376 46 I HA 0.388 nan 4.170 nan 0.000 0.326 46 I C 0.307 176.340 176.117 -0.139 0.000 1.538 46 I CA -1.412 59.851 61.300 -0.061 0.000 0.989 46 I CB -0.020 37.969 38.000 -0.018 0.000 1.413 46 I HN -0.492 7.597 8.210 -0.067 0.081 0.547 47 G N 0.951 109.678 108.800 -0.123 0.000 2.212 47 G HA2 -0.436 nan 3.960 nan 0.000 0.266 47 G HA3 -0.436 nan 3.960 nan 0.000 0.266 47 G C -0.379 174.400 174.900 -0.201 0.000 0.978 47 G CA 0.931 45.940 45.100 -0.151 0.000 0.632 47 G HN -0.362 7.875 8.290 -0.088 0.000 0.537 48 T N 3.732 118.142 114.554 -0.240 0.000 2.744 48 T HA 0.079 nan 4.350 nan 0.000 0.291 48 T C -0.807 173.802 174.700 -0.152 0.000 0.957 48 T CA 0.170 62.112 62.100 -0.264 0.000 1.002 48 T CB 0.485 69.113 68.868 -0.400 0.000 0.919 48 T HN -0.664 7.373 8.240 -0.220 0.071 0.468 49 E N 4.426 124.553 120.200 -0.121 0.000 2.345 49 E HA 0.042 nan 4.350 nan 0.000 0.259 49 E C 0.191 176.759 176.600 -0.054 0.000 1.117 49 E CA -1.790 54.565 56.400 -0.077 0.000 0.913 49 E CB 2.039 31.700 29.700 -0.065 0.000 1.057 49 E HN 0.238 8.517 8.360 -0.136 0.000 0.432 50 N N 1.531 120.208 118.700 -0.038 0.000 2.950 50 N HA -0.170 nan 4.740 nan 0.000 0.313 50 N C -1.188 174.317 175.510 -0.009 0.000 1.213 50 N CA 0.213 53.249 53.050 -0.023 0.000 1.184 50 N CB -2.003 36.470 38.487 -0.024 0.000 1.454 50 N HN 0.101 8.457 8.380 -0.040 0.000 0.532 51 T N -0.307 114.248 114.554 0.002 0.000 2.841 51 T HA 0.284 nan 4.350 nan 0.000 0.283 51 T C -0.289 174.441 174.700 0.050 0.000 1.000 51 T CA -1.357 60.752 62.100 0.016 0.000 0.977 51 T CB 3.055 71.926 68.868 0.004 0.000 0.979 51 T HN -0.113 8.082 8.240 -0.000 0.044 0.446 52 E N 4.988 125.221 120.200 0.054 0.000 2.035 52 E HA -0.534 nan 4.350 nan 0.000 0.204 52 E C 1.539 178.213 176.600 0.124 0.000 1.025 52 E CA 4.201 60.650 56.400 0.081 0.000 0.835 52 E CB -0.055 29.685 29.700 0.066 0.000 0.764 52 E HN 0.598 8.982 8.360 0.039 0.000 0.457 53 E N -3.883 116.386 120.200 0.115 0.000 2.331 53 E HA -0.285 nan 4.350 nan 0.000 0.199 53 E C 2.389 179.125 176.600 0.227 0.000 1.008 53 E CA 2.659 59.156 56.400 0.160 0.000 0.843 53 E CB -0.776 28.994 29.700 0.117 0.000 0.761 53 E HN 0.406 8.816 8.360 0.083 0.000 0.507 54 N N 0.248 119.061 118.700 0.188 0.000 2.132 54 N HA -0.140 nan 4.740 nan 0.000 0.187 54 N C 1.688 177.446 175.510 0.412 0.000 1.038 54 N CA 2.736 55.937 53.050 0.252 0.000 0.846 54 N CB -0.340 38.211 38.487 0.107 0.000 1.012 54 N HN -0.275 8.025 8.380 0.129 0.157 0.429 55 R N -0.299 120.373 120.500 0.287 0.000 2.328 55 R HA -0.206 nan 4.340 nan 0.000 0.207 55 R C 2.288 178.775 176.300 0.311 0.000 1.056 55 R CA 2.744 59.030 56.100 0.309 0.000 1.016 55 R CB -0.542 29.862 30.300 0.174 0.000 0.872 55 R HN -0.051 8.335 8.270 0.194 0.000 0.471 56 R N -0.751 119.931 120.500 0.303 0.000 2.140 56 R HA -0.123 nan 4.340 nan 0.000 0.213 56 R C 1.673 178.165 176.300 0.320 0.000 1.059 56 R CA 2.713 58.996 56.100 0.304 0.000 1.000 56 R CB 0.282 30.738 30.300 0.260 0.000 0.910 56 R HN 0.246 8.594 8.270 0.296 0.100 0.455 57 F N 1.686 121.765 119.950 0.216 0.000 2.206 57 F HA -0.288 nan 4.527 nan 0.000 0.298 57 F C 0.851 176.686 175.800 0.058 0.000 1.090 57 F CA 3.421 61.526 58.000 0.175 0.000 1.323 57 F CB 0.447 39.610 39.000 0.272 0.000 1.028 57 F HN -0.528 7.892 8.300 0.517 0.190 0.492 58 Y N -0.104 120.300 120.300 0.173 0.000 2.181 58 Y HA -0.558 nan 4.550 nan 0.000 0.288 58 Y C 1.333 177.089 175.900 -0.241 0.000 1.146 58 Y CA 4.241 62.248 58.100 -0.154 0.000 1.164 58 Y CB 0.211 38.679 38.460 0.013 0.000 0.982 58 Y HN 0.471 9.104 8.280 0.590 0.000 0.515 59 R N -2.819 117.523 120.500 -0.262 0.000 2.115 59 R HA -0.335 nan 4.340 nan 0.000 0.230 59 R C 2.247 178.197 176.300 -0.583 0.000 1.111 59 R CA 1.814 57.656 56.100 -0.430 0.000 0.976 59 R CB -0.840 29.360 30.300 -0.166 0.000 0.870 59 R HN -0.577 7.722 8.270 0.048 0.000 0.445 60 Q N 0.393 119.904 119.800 -0.482 0.000 2.046 60 Q HA -0.245 nan 4.340 nan 0.000 0.200 60 Q C 1.999 177.671 176.000 -0.547 0.000 0.975 60 Q CA 3.110 58.583 55.803 -0.549 0.000 0.836 60 Q CB -0.119 28.423 28.738 -0.327 0.000 0.896 60 Q HN -0.515 7.485 8.270 -0.273 0.106 0.428 61 L N -0.134 120.718 121.223 -0.618 0.000 1.965 61 L HA -0.463 nan 4.340 nan 0.000 0.226 61 L C 2.374 178.979 176.870 -0.441 0.000 1.083 61 L CA 3.237 57.749 54.840 -0.547 0.000 0.790 61 L CB -0.098 41.609 42.059 -0.587 0.000 0.898 61 L HN 0.067 7.903 8.230 -0.657 0.000 0.439 62 L N -3.287 117.594 121.223 -0.569 0.000 1.990 62 L HA -0.454 nan 4.340 nan 0.000 0.213 62 L C 2.521 179.170 176.870 -0.368 0.000 1.072 62 L CA 2.868 57.343 54.840 -0.609 0.000 0.755 62 L CB -0.294 41.245 42.059 -0.868 0.000 0.889 62 L HN -0.901 6.913 8.230 -0.693 0.000 0.432 63 L N -4.179 116.793 121.223 -0.418 0.000 2.131 63 L HA -0.266 nan 4.340 nan 0.000 0.210 63 L C 2.144 178.883 176.870 -0.217 0.000 1.092 63 L CA 2.189 56.831 54.840 -0.330 0.000 0.759 63 L CB -0.199 41.545 42.059 -0.524 0.000 0.903 63 L HN -0.739 7.174 8.230 -0.529 0.000 0.435 64 T N -4.926 109.489 114.554 -0.232 0.000 3.389 64 T HA 0.170 nan 4.350 nan 0.000 0.238 64 T C -1.034 173.610 174.700 -0.094 0.000 1.178 64 T CA -1.812 60.199 62.100 -0.149 0.000 1.117 64 T CB -2.056 66.711 68.868 -0.168 0.000 1.177 64 T HN -0.113 7.727 8.240 -0.307 0.215 0.653 65 A N 2.144 124.941 122.820 -0.038 0.000 2.294 65 A HA 0.314 nan 4.320 nan 0.000 0.330 65 A C -1.395 176.186 177.584 -0.006 0.000 1.133 65 A CA -1.467 50.578 52.037 0.013 0.000 0.836 65 A CB 2.169 21.250 19.000 0.135 0.000 1.190 65 A HN -0.642 7.419 8.150 -0.036 0.068 0.492 66 D N -1.254 119.139 120.400 -0.012 0.000 2.478 66 D HA -0.268 nan 4.640 nan 0.000 0.234 66 D C 0.742 177.029 176.300 -0.021 0.000 1.154 66 D CA -0.014 53.976 54.000 -0.018 0.000 0.874 66 D CB 0.414 41.202 40.800 -0.019 0.000 1.198 66 D HN 0.122 8.486 8.370 -0.009 0.000 0.455 67 D N 0.768 121.159 120.400 -0.016 0.000 2.393 67 D HA -0.302 nan 4.640 nan 0.000 0.220 67 D C 1.950 178.238 176.300 -0.021 0.000 0.974 67 D CA 2.812 56.803 54.000 -0.015 0.000 0.931 67 D CB -0.556 40.239 40.800 -0.009 0.000 0.889 67 D HN 0.521 8.883 8.370 -0.013 0.000 0.512 68 R N -0.940 119.542 120.500 -0.030 0.000 2.152 68 R HA -0.232 nan 4.340 nan 0.000 0.232 68 R C 2.090 178.359 176.300 -0.051 0.000 1.117 68 R CA 2.589 58.667 56.100 -0.037 0.000 0.981 68 R CB -0.065 30.209 30.300 -0.044 0.000 0.870 68 R HN -0.561 7.724 8.270 -0.030 -0.033 0.451 69 V N -5.858 114.016 119.914 -0.067 0.000 2.951 69 V HA -0.084 nan 4.120 nan 0.000 0.255 69 V C 0.777 176.853 176.094 -0.030 0.000 1.088 69 V CA 1.934 64.185 62.300 -0.083 0.000 1.109 69 V CB -0.685 31.060 31.823 -0.130 0.000 0.724 69 V HN -0.094 8.031 8.190 -0.060 0.029 0.471 70 N N 1.255 119.945 118.700 -0.017 0.000 2.064 70 N HA -0.227 nan 4.740 nan 0.000 0.200 70 N C -0.082 175.427 175.510 -0.001 0.000 1.028 70 N CA 4.392 57.440 53.050 -0.004 0.000 0.880 70 N CB -2.550 35.934 38.487 -0.004 0.000 1.062 70 N HN -0.369 7.852 8.380 -0.020 0.146 0.454 71 P HA -0.023 nan 4.420 nan 0.000 0.216 71 P C 1.337 178.646 177.300 0.016 0.000 1.153 71 P CA 2.191 65.294 63.100 0.005 0.000 0.848 71 P CB -0.153 31.551 31.700 0.006 0.000 0.787 72 C N -2.499 116.817 119.300 0.026 0.000 2.411 72 C HA -0.212 nan 4.460 nan 0.000 0.279 72 C C 0.451 175.488 174.990 0.079 0.000 1.288 72 C CA 3.043 62.109 59.018 0.079 0.000 1.764 72 C CB -1.023 26.754 27.740 0.061 0.000 1.974 72 C HN 0.016 8.250 8.230 0.007 0.000 0.498 73 I N -0.681 119.909 120.570 0.033 0.000 2.291 73 I HA 0.052 nan 4.170 nan 0.000 0.292 73 I C 0.576 176.672 176.117 -0.036 0.000 1.064 73 I CA -1.431 59.874 61.300 0.008 0.000 1.269 73 I CB -2.090 35.936 38.000 0.043 0.000 1.418 73 I HN -0.496 7.698 8.210 0.023 0.029 0.485 74 G N 7.385 116.124 108.800 -0.103 0.000 2.441 74 G HA2 0.099 nan 3.960 nan 0.000 0.212 74 G HA3 0.099 nan 3.960 nan 0.000 0.212 74 G C -1.422 173.426 174.900 -0.088 0.000 1.164 74 G CA 0.363 45.396 45.100 -0.112 0.000 0.811 74 G HN 0.870 9.018 8.290 -0.167 0.042 0.535 75 G N -2.368 106.380 108.800 -0.088 0.000 2.742 75 G HA2 0.549 nan 3.960 nan 0.000 0.296 75 G HA3 0.549 nan 3.960 nan 0.000 0.296 75 G C -2.964 172.014 174.900 0.130 0.000 1.436 75 G CA 0.179 45.305 45.100 0.044 0.000 0.928 75 G HN -0.662 7.546 8.290 -0.136 0.000 0.520 76 V N 3.024 123.058 119.914 0.201 0.000 2.448 76 V HA 0.708 nan 4.120 nan 0.000 0.295 76 V C -1.189 174.957 176.094 0.086 0.000 1.025 76 V CA -1.601 60.767 62.300 0.113 0.000 0.859 76 V CB 2.161 33.995 31.823 0.020 0.000 0.988 76 V HN 0.193 8.524 8.190 0.235 0.000 0.431 77 I N 6.325 126.933 120.570 0.065 0.000 2.315 77 I HA 0.295 nan 4.170 nan 0.000 0.291 77 I C -1.294 174.790 176.117 -0.055 0.000 1.006 77 I CA -0.481 60.784 61.300 -0.057 0.000 1.265 77 I CB 0.190 38.212 38.000 0.038 0.000 1.387 77 I HN 0.605 8.866 8.210 0.086 0.000 0.475 78 L N 5.446 126.601 121.223 -0.113 0.000 2.421 78 L HA 0.405 nan 4.340 nan 0.000 0.267 78 L C -1.572 175.322 176.870 0.040 0.000 1.036 78 L CA -1.309 53.517 54.840 -0.024 0.000 0.829 78 L CB 2.700 44.730 42.059 -0.049 0.000 1.437 78 L HN -0.076 7.910 8.230 -0.222 0.110 0.488 79 F N -2.448 117.477 119.950 -0.042 0.000 2.575 79 F HA 0.230 nan 4.527 nan 0.000 0.330 79 F C 0.331 176.186 175.800 0.092 0.000 1.056 79 F CA -1.518 56.489 58.000 0.012 0.000 0.964 79 F CB 3.431 42.462 39.000 0.052 0.000 1.258 79 F HN -0.286 8.157 8.300 0.239 0.000 0.484 80 H N 4.602 123.612 119.070 -0.099 0.000 2.289 80 H HA -0.430 nan 4.556 nan 0.000 0.294 80 H C 1.510 177.082 175.328 0.406 0.000 1.095 80 H CA 3.898 60.043 56.048 0.162 0.000 1.256 80 H CB -0.069 29.754 29.762 0.102 0.000 1.359 80 H HN 0.600 8.513 8.280 -0.612 0.000 0.487 81 E N -1.159 119.373 120.200 0.554 0.000 2.058 81 E HA -0.328 nan 4.350 nan 0.000 0.194 81 E C 2.115 178.878 176.600 0.273 0.000 0.997 81 E CA 3.474 60.082 56.400 0.347 0.000 0.801 81 E CB -0.689 29.188 29.700 0.295 0.000 0.746 81 E HN 0.499 9.379 8.360 0.866 0.000 0.450 82 T N 1.506 116.233 114.554 0.287 0.000 2.821 82 T HA -0.217 nan 4.350 nan 0.000 0.267 82 T C 2.317 177.124 174.700 0.178 0.000 1.046 82 T CA 3.364 65.618 62.100 0.257 0.000 1.139 82 T CB -0.510 68.505 68.868 0.245 0.000 0.871 82 T HN -0.245 8.216 8.240 0.368 0.000 0.454 83 L N 1.357 122.612 121.223 0.052 0.000 2.189 83 L HA -0.307 nan 4.340 nan 0.000 0.214 83 L C -0.544 176.054 176.870 -0.454 0.000 1.097 83 L CA 2.560 57.259 54.840 -0.234 0.000 0.764 83 L CB -0.058 41.747 42.059 -0.423 0.000 0.900 83 L HN -0.147 8.159 8.230 0.126 0.000 0.436 84 Y N -4.949 115.345 120.300 -0.011 0.000 2.774 84 Y HA 0.077 nan 4.550 nan 0.000 0.305 84 Y C -0.702 175.104 175.900 -0.156 0.000 1.067 84 Y CA -1.253 56.801 58.100 -0.076 0.000 1.304 84 Y CB -0.607 37.803 38.460 -0.083 0.000 1.209 84 Y HN -0.929 7.267 8.280 0.102 0.145 0.543 85 Q N 0.213 119.873 119.800 -0.234 0.000 2.345 85 Q HA 0.296 nan 4.340 nan 0.000 0.268 85 Q C -1.202 174.176 176.000 -1.038 0.000 1.054 85 Q CA -1.387 54.109 55.803 -0.512 0.000 0.835 85 Q CB 3.707 32.178 28.738 -0.445 0.000 1.339 85 Q HN -0.514 7.531 8.270 -0.256 0.071 0.447 86 K N 0.510 120.460 120.400 -0.750 0.000 2.166 86 K HA 0.669 nan 4.320 nan 0.000 0.245 86 K C -1.342 175.002 176.600 -0.426 0.000 0.967 86 K CA -1.330 54.615 56.287 -0.570 0.000 0.863 86 K CB 2.277 34.647 32.500 -0.217 0.000 1.107 86 K HN 0.306 8.269 8.250 -0.478 0.000 0.436 87 A N 0.123 122.929 122.820 -0.024 0.000 2.257 87 A HA 0.291 nan 4.320 nan 0.000 0.289 87 A C 0.210 177.857 177.584 0.105 0.000 1.095 87 A CA -1.586 50.609 52.037 0.263 0.000 0.836 87 A CB 0.952 20.140 19.000 0.313 0.000 1.111 87 A HN 0.411 8.551 8.150 -0.017 0.000 0.497 88 D N 2.323 122.788 120.400 0.107 0.000 2.662 88 D HA -0.214 nan 4.640 nan 0.000 0.228 88 D C -0.905 175.430 176.300 0.057 0.000 1.090 88 D CA 2.307 56.354 54.000 0.078 0.000 1.118 88 D CB -1.588 39.267 40.800 0.091 0.000 1.129 88 D HN -0.016 8.749 8.370 0.123 -0.320 0.472 89 D N -0.590 119.837 120.400 0.045 0.000 1.675 89 D HA -0.032 nan 4.640 nan 0.000 0.756 89 D C 0.911 177.226 176.300 0.024 0.000 0.603 89 D CA 0.609 54.630 54.000 0.034 0.000 1.278 89 D CB 1.401 42.222 40.800 0.035 0.000 1.227 89 D HN 0.305 8.638 8.370 0.041 0.062 0.412 90 G N 0.731 109.542 108.800 0.019 0.000 2.617 90 G HA2 -0.256 nan 3.960 nan 0.000 0.197 90 G HA3 -0.256 nan 3.960 nan 0.000 0.197 90 G C -1.384 173.515 174.900 -0.002 0.000 1.017 90 G CA -0.219 44.884 45.100 0.004 0.000 0.713 90 G HN -0.235 8.070 8.290 0.025 0.000 0.481 91 R N 2.208 122.717 120.500 0.015 0.000 2.401 91 R HA 0.244 nan 4.340 nan 0.000 0.299 91 R C -1.924 174.384 176.300 0.013 0.000 1.064 91 R CA -1.824 54.288 56.100 0.019 0.000 1.000 91 R CB -0.642 29.680 30.300 0.037 0.000 0.973 91 R HN 0.091 8.679 8.270 0.027 -0.302 0.438 92 P HA 0.007 nan 4.420 nan 0.000 0.270 92 P C 0.190 177.528 177.300 0.063 0.000 1.223 92 P CA -0.301 62.752 63.100 -0.080 0.000 0.785 92 P CB 0.431 32.091 31.700 -0.067 0.000 0.923 93 F N 0.942 120.865 119.950 -0.044 0.000 2.154 93 F HA -0.265 nan 4.527 nan 0.000 0.301 93 F C -0.085 175.677 175.800 -0.064 0.000 1.087 93 F CA 3.652 61.617 58.000 -0.058 0.000 1.274 93 F CB -3.420 35.539 39.000 -0.068 0.000 1.009 93 F HN 0.451 8.582 8.300 -0.281 0.000 0.485 94 P HA -0.267 nan 4.420 nan 0.000 0.216 94 P C 1.674 178.995 177.300 0.034 0.000 1.150 94 P CA 3.333 66.449 63.100 0.026 0.000 0.843 94 P CB -0.398 31.285 31.700 -0.029 0.000 0.787 95 Q N -3.929 115.899 119.800 0.045 0.000 2.245 95 Q HA -0.126 nan 4.340 nan 0.000 0.201 95 Q C 2.411 178.438 176.000 0.045 0.000 0.955 95 Q CA 2.609 58.435 55.803 0.038 0.000 0.870 95 Q CB -0.508 28.250 28.738 0.033 0.000 0.945 95 Q HN -0.209 7.982 8.270 0.053 0.111 0.461 96 V N 1.100 121.057 119.914 0.071 0.000 2.343 96 V HA -0.361 nan 4.120 nan 0.000 0.247 96 V C 2.007 178.108 176.094 0.012 0.000 1.051 96 V CA 3.647 65.976 62.300 0.048 0.000 1.036 96 V CB -0.904 30.957 31.823 0.063 0.000 0.654 96 V HN -0.789 7.348 8.190 0.110 0.119 0.451 97 I N -2.356 118.219 120.570 0.008 0.000 2.163 97 I HA -0.551 nan 4.170 nan 0.000 0.240 97 I C 2.049 178.173 176.117 0.012 0.000 1.081 97 I CA 3.711 65.010 61.300 -0.002 0.000 1.353 97 I CB -0.527 37.471 38.000 -0.003 0.000 1.054 97 I HN -0.202 8.024 8.210 0.027 0.000 0.407 98 K N 0.458 120.870 120.400 0.019 0.000 2.113 98 K HA -0.338 nan 4.320 nan 0.000 0.208 98 K C 2.628 179.238 176.600 0.017 0.000 1.047 98 K CA 3.199 59.498 56.287 0.021 0.000 0.928 98 K CB -0.386 32.127 32.500 0.022 0.000 0.716 98 K HN -0.210 8.053 8.250 0.021 0.000 0.446 99 S N -0.124 115.585 115.700 0.015 0.000 2.453 99 S HA -0.068 nan 4.470 nan 0.000 0.231 99 S C 1.269 175.874 174.600 0.008 0.000 1.005 99 S CA 2.502 60.710 58.200 0.012 0.000 0.949 99 S CB -0.362 62.846 63.200 0.013 0.000 0.774 99 S HN -0.288 8.025 8.310 0.017 0.007 0.510 100 K N -0.564 119.840 120.400 0.006 0.000 2.487 100 K HA 0.052 nan 4.320 nan 0.000 0.192 100 K C -0.057 176.546 176.600 0.006 0.000 1.027 100 K CA -0.196 56.093 56.287 0.003 0.000 1.054 100 K CB 0.024 32.524 32.500 -0.001 0.000 0.824 100 K HN -0.501 7.597 8.250 0.007 0.157 0.510 101 G N -2.240 106.566 108.800 0.009 0.000 2.141 101 G HA2 -0.259 nan 3.960 nan 0.000 0.242 101 G HA3 -0.259 nan 3.960 nan 0.000 0.242 101 G C -0.115 174.792 174.900 0.011 0.000 0.982 101 G CA -0.115 44.990 45.100 0.009 0.000 0.662 101 G HN -0.550 7.565 8.290 0.011 0.182 0.527 102 G N -1.625 107.184 108.800 0.016 0.000 2.491 102 G HA2 0.635 nan 3.960 nan 0.000 0.327 102 G HA3 0.635 nan 3.960 nan 0.000 0.327 102 G C -1.244 173.683 174.900 0.045 0.000 1.189 102 G CA -1.403 43.710 45.100 0.023 0.000 0.956 102 G HN -0.777 7.483 8.290 0.016 0.039 0.491 103 V N 0.491 120.452 119.914 0.079 0.000 2.483 103 V HA 0.246 nan 4.120 nan 0.000 0.295 103 V C -0.291 175.947 176.094 0.240 0.000 1.035 103 V CA -0.851 61.535 62.300 0.143 0.000 0.896 103 V CB 2.320 34.231 31.823 0.147 0.000 0.986 103 V HN 0.013 8.242 8.190 0.066 0.000 0.447 104 V N 4.003 124.002 119.914 0.140 0.000 2.649 104 V HA 0.549 nan 4.120 nan 0.000 0.292 104 V C -0.221 175.710 176.094 -0.272 0.000 1.055 104 V CA -0.928 61.368 62.300 -0.006 0.000 1.023 104 V CB 0.478 32.267 31.823 -0.056 0.000 0.992 104 V HN 0.440 8.693 8.190 0.106 0.000 0.480 105 G N 3.784 112.159 108.800 -0.709 0.000 2.733 105 G HA2 0.918 nan 3.960 nan 0.000 0.288 105 G HA3 0.918 nan 3.960 nan 0.000 0.288 105 G C -3.075 171.376 174.900 -0.748 0.000 1.373 105 G CA -1.262 42.939 45.100 -1.497 0.000 0.895 105 G HN -0.107 7.920 8.290 -0.438 0.000 0.479 106 I N -1.339 118.853 120.570 -0.630 0.000 2.644 106 I HA 0.367 nan 4.170 nan 0.000 0.291 106 I C -2.596 173.343 176.117 -0.296 0.000 1.180 106 I CA -1.574 59.452 61.300 -0.457 0.000 1.040 106 I CB 4.528 42.123 38.000 -0.676 0.000 1.255 106 I HN 0.283 8.090 8.210 -0.672 0.000 0.422 107 K N 8.585 128.843 120.400 -0.236 0.000 2.339 107 K HA 0.260 nan 4.320 nan 0.000 0.286 107 K C -0.548 175.936 176.600 -0.194 0.000 1.050 107 K CA 0.211 56.403 56.287 -0.158 0.000 0.956 107 K CB 0.670 33.103 32.500 -0.113 0.000 0.990 107 K HN 0.079 8.182 8.250 -0.244 0.000 0.475 108 V N -3.119 116.742 119.914 -0.089 0.000 3.432 108 V HA 0.443 nan 4.120 nan 0.000 0.298 108 V C -0.536 175.480 176.094 -0.131 0.000 1.464 108 V CA -1.798 60.487 62.300 -0.026 0.000 1.046 108 V CB 0.782 32.728 31.823 0.205 0.000 0.887 108 V HN 0.137 8.298 8.190 -0.048 0.000 0.441 109 D N 1.266 121.446 120.400 -0.368 0.000 2.344 109 D HA 0.116 nan 4.640 nan 0.000 0.244 109 D C 0.290 176.316 176.300 -0.456 0.000 1.134 109 D CA -0.052 53.487 54.000 -0.767 0.000 0.930 109 D CB 1.132 41.162 40.800 -1.284 0.000 1.175 109 D HN -0.674 7.504 8.370 -0.319 0.000 0.437 110 K N 2.003 122.145 120.400 -0.430 0.000 2.832 110 K HA 0.072 nan 4.320 nan 0.000 0.211 110 K C -0.142 176.345 176.600 -0.188 0.000 1.112 110 K CA -0.520 55.631 56.287 -0.225 0.000 1.108 110 K CB -0.013 32.406 32.500 -0.134 0.000 0.899 110 K HN 0.314 8.211 8.250 -0.588 0.000 0.464 111 G N -0.352 108.308 108.800 -0.233 0.000 2.725 111 G HA2 -0.337 nan 3.960 nan 0.000 0.220 111 G HA3 -0.337 nan 3.960 nan 0.000 0.220 111 G C -2.504 172.301 174.900 -0.159 0.000 1.357 111 G CA -0.549 44.455 45.100 -0.160 0.000 0.866 111 G HN -0.561 7.715 8.290 -0.317 -0.176 0.548 112 V N -4.982 114.874 119.914 -0.095 0.000 2.975 112 V HA 0.853 nan 4.120 nan 0.000 0.318 112 V C -0.807 175.267 176.094 -0.032 0.000 1.077 112 V CA -2.577 59.685 62.300 -0.063 0.000 1.000 112 V CB 2.537 34.332 31.823 -0.047 0.000 1.066 112 V HN -0.237 7.909 8.190 -0.074 0.000 0.452 113 V N -4.587 115.319 119.914 -0.013 0.000 2.808 113 V HA 0.617 nan 4.120 nan 0.000 0.308 113 V C -3.016 173.082 176.094 0.006 0.000 1.099 113 V CA -3.726 58.573 62.300 -0.001 0.000 0.920 113 V CB 2.726 34.552 31.823 0.005 0.000 1.014 113 V HN 0.848 9.033 8.190 -0.008 0.000 0.425 114 P HA 0.108 nan 4.420 nan 0.000 0.267 114 P C -1.161 176.148 177.300 0.014 0.000 1.195 114 P CA 0.572 63.678 63.100 0.010 0.000 0.773 114 P CB 0.474 32.180 31.700 0.010 0.000 0.837 115 L N 0.642 121.874 121.223 0.015 0.000 2.365 115 L HA 0.199 nan 4.340 nan 0.000 0.267 115 L C 0.649 177.529 176.870 0.016 0.000 1.033 115 L CA -1.197 53.654 54.840 0.017 0.000 0.802 115 L CB 1.795 43.865 42.059 0.018 0.000 1.267 115 L HN -0.197 8.042 8.230 0.015 0.000 0.457 116 A N 0.601 123.431 122.820 0.016 0.000 2.639 116 A HA -0.035 nan 4.320 nan 0.000 0.295 116 A C 0.760 178.352 177.584 0.013 0.000 1.443 116 A CA 0.035 52.081 52.037 0.014 0.000 1.117 116 A CB -1.158 17.851 19.000 0.014 0.000 1.098 116 A HN 0.258 8.418 8.150 0.017 0.000 0.552 117 G N 3.748 112.556 108.800 0.013 0.000 2.372 117 G HA2 -0.308 nan 3.960 nan 0.000 0.290 117 G HA3 -0.308 nan 3.960 nan 0.000 0.290 117 G C -0.602 174.307 174.900 0.015 0.000 0.965 117 G CA 0.297 45.405 45.100 0.013 0.000 1.263 117 G HN 0.036 8.334 8.290 0.013 0.000 0.498 118 T N -4.105 110.460 114.554 0.018 0.000 2.762 118 T HA 0.139 nan 4.350 nan 0.000 0.272 118 T C -0.371 174.346 174.700 0.028 0.000 0.982 118 T CA -1.981 60.133 62.100 0.023 0.000 1.013 118 T CB 2.409 71.290 68.868 0.023 0.000 1.309 118 T HN -0.360 7.891 8.240 0.018 0.000 0.572 119 N N 2.997 121.718 118.700 0.036 0.000 3.303 119 N HA -0.006 nan 4.740 nan 0.000 0.304 119 N C 0.503 176.031 175.510 0.030 0.000 1.302 119 N CA -0.987 52.087 53.050 0.041 0.000 1.213 119 N CB -0.701 37.822 38.487 0.059 0.000 1.481 119 N HN 0.248 8.651 8.380 0.038 0.000 0.546 120 G N 0.450 109.265 108.800 0.025 0.000 2.175 120 G HA2 -0.411 nan 3.960 nan 0.000 0.265 120 G HA3 -0.411 nan 3.960 nan 0.000 0.265 120 G C -0.113 174.798 174.900 0.017 0.000 0.979 120 G CA 0.532 45.644 45.100 0.020 0.000 0.663 120 G HN -0.362 7.887 8.290 0.024 0.055 0.533 121 E N -0.286 119.926 120.200 0.019 0.000 2.376 121 E HA 0.204 nan 4.350 nan 0.000 0.254 121 E C -1.064 175.545 176.600 0.015 0.000 1.213 121 E CA 0.114 56.523 56.400 0.016 0.000 0.945 121 E CB 1.234 30.946 29.700 0.019 0.000 1.057 121 E HN -0.719 7.595 8.360 0.022 0.059 0.479 122 T N -5.699 108.863 114.554 0.013 0.000 2.681 122 T HA 0.544 nan 4.350 nan 0.000 0.296 122 T C -1.735 172.977 174.700 0.019 0.000 1.157 122 T CA -1.588 60.520 62.100 0.013 0.000 1.025 122 T CB 2.753 71.624 68.868 0.005 0.000 1.441 122 T HN 0.186 8.434 8.240 0.013 0.000 0.504 123 T N 0.243 114.811 114.554 0.024 0.000 2.864 123 T HA 0.410 nan 4.350 nan 0.000 0.299 123 T C -1.694 173.031 174.700 0.043 0.000 1.166 123 T CA -1.439 60.689 62.100 0.046 0.000 1.007 123 T CB 3.236 72.138 68.868 0.056 0.000 1.219 123 T HN 0.062 8.313 8.240 0.019 0.000 0.506 124 T N 4.101 118.708 114.554 0.088 0.000 2.902 124 T HA 0.671 nan 4.350 nan 0.000 0.283 124 T C -0.622 174.154 174.700 0.125 0.000 1.009 124 T CA -0.582 61.528 62.100 0.018 0.000 1.051 124 T CB 0.767 69.580 68.868 -0.092 0.000 0.999 124 T HN 0.249 8.581 8.240 0.152 0.000 0.474 125 Q N 1.059 120.841 119.800 -0.029 0.000 2.486 125 Q HA 0.426 nan 4.340 nan 0.000 0.274 125 Q C -0.013 175.956 176.000 -0.052 0.000 1.076 125 Q CA -1.732 54.116 55.803 0.075 0.000 0.872 125 Q CB 2.437 31.190 28.738 0.026 0.000 1.383 125 Q HN 0.500 8.673 8.270 -0.163 0.000 0.478 126 G N -3.300 105.591 108.800 0.151 0.000 2.161 126 G HA2 -0.188 nan 3.960 nan 0.000 0.140 126 G HA3 -0.188 nan 3.960 nan 0.000 0.140 126 G C -0.478 174.655 174.900 0.388 0.000 1.040 126 G CA 0.144 45.328 45.100 0.139 0.000 0.735 126 G HN 0.310 8.703 8.290 0.172 0.000 0.496 127 L N -2.109 119.320 121.223 0.343 0.000 2.307 127 L HA 0.017 nan 4.340 nan 0.000 0.211 127 L C -1.104 175.844 176.870 0.128 0.000 1.099 127 L CA 0.704 55.681 54.840 0.229 0.000 0.816 127 L CB -0.032 42.112 42.059 0.142 0.000 0.952 127 L HN -0.185 8.211 8.230 0.276 0.000 0.455 128 D N -1.380 119.079 120.400 0.099 0.000 2.450 128 D HA -0.062 nan 4.640 nan 0.000 0.247 128 D C 1.398 177.722 176.300 0.040 0.000 1.162 128 D CA 1.487 55.520 54.000 0.055 0.000 0.879 128 D CB -0.201 40.623 40.800 0.041 0.000 1.163 128 D HN -0.387 8.050 8.370 0.111 0.000 0.472 129 G N 3.952 112.765 108.800 0.022 0.000 2.302 129 G HA2 -0.447 nan 3.960 nan 0.000 0.263 129 G HA3 -0.447 nan 3.960 nan 0.000 0.263 129 G C 1.446 176.345 174.900 -0.001 0.000 0.995 129 G CA 1.287 46.388 45.100 0.001 0.000 0.622 129 G HN 0.432 8.735 8.290 0.022 0.000 0.538 130 L N 0.871 122.117 121.223 0.038 0.000 2.085 130 L HA -0.433 nan 4.340 nan 0.000 0.218 130 L C 1.016 177.903 176.870 0.028 0.000 1.080 130 L CA 2.874 57.754 54.840 0.066 0.000 0.776 130 L CB -0.245 41.897 42.059 0.138 0.000 0.891 130 L HN -0.755 7.382 8.230 0.060 0.130 0.437 131 S N -2.227 113.481 115.700 0.013 0.000 2.351 131 S HA -0.455 nan 4.470 nan 0.000 0.220 131 S C 2.110 176.698 174.600 -0.021 0.000 1.035 131 S CA 3.875 62.074 58.200 -0.002 0.000 1.031 131 S CB -0.493 62.705 63.200 -0.003 0.000 0.928 131 S HN 0.172 8.471 8.310 0.019 0.022 0.433 132 E N 0.950 121.129 120.200 -0.035 0.000 2.077 132 E HA -0.331 nan 4.350 nan 0.000 0.193 132 E C 2.692 179.228 176.600 -0.105 0.000 0.989 132 E CA 3.209 59.577 56.400 -0.054 0.000 0.800 132 E CB -0.413 29.256 29.700 -0.052 0.000 0.746 132 E HN -0.584 7.759 8.360 -0.028 0.000 0.452 133 R N -0.158 120.250 120.500 -0.153 0.000 2.105 133 R HA -0.325 nan 4.340 nan 0.000 0.239 133 R C 2.542 178.643 176.300 -0.331 0.000 1.135 133 R CA 3.409 59.300 56.100 -0.349 0.000 0.967 133 R CB -0.341 29.761 30.300 -0.330 0.000 0.861 133 R HN -0.235 7.971 8.270 -0.107 0.000 0.442 134 C N -2.357 116.897 119.300 -0.077 0.000 2.425 134 C HA -0.205 nan 4.460 nan 0.000 0.277 134 C C 2.028 177.045 174.990 0.044 0.000 1.280 134 C CA 3.946 62.998 59.018 0.056 0.000 1.744 134 C CB -2.005 25.770 27.740 0.059 0.000 1.989 134 C HN 0.380 8.379 8.230 -0.052 0.200 0.491 135 A N -0.570 122.246 122.820 -0.007 0.000 1.929 135 A HA -0.177 nan 4.320 nan 0.000 0.216 135 A C 1.922 179.514 177.584 0.014 0.000 1.176 135 A CA 3.165 55.207 52.037 0.008 0.000 0.628 135 A CB -0.822 18.175 19.000 -0.005 0.000 0.816 135 A HN -0.573 7.429 8.150 -0.036 0.127 0.444 136 Q N -0.472 119.303 119.800 -0.043 0.000 2.119 136 Q HA -0.245 nan 4.340 nan 0.000 0.201 136 Q C 2.453 178.513 176.000 0.100 0.000 0.972 136 Q CA 2.437 58.229 55.803 -0.020 0.000 0.847 136 Q CB -0.302 28.369 28.738 -0.111 0.000 0.903 136 Q HN 0.015 8.150 8.270 -0.100 0.075 0.433 137 Y N -1.137 119.208 120.300 0.075 0.000 2.263 137 Y HA -0.322 nan 4.550 nan 0.000 0.292 137 Y C 2.329 178.244 175.900 0.025 0.000 1.130 137 Y CA 1.282 59.416 58.100 0.057 0.000 1.179 137 Y CB -0.611 37.864 38.460 0.024 0.000 0.998 137 Y HN 0.230 8.472 8.280 -0.043 0.012 0.532 138 K N 0.015 120.525 120.400 0.183 0.000 2.009 138 K HA -0.323 nan 4.320 nan 0.000 0.210 138 K C 2.441 179.093 176.600 0.087 0.000 1.049 138 K CA 2.538 58.888 56.287 0.106 0.000 0.929 138 K CB -0.322 32.224 32.500 0.076 0.000 0.714 138 K HN -0.355 7.923 8.250 0.172 0.075 0.440 139 K N -1.960 118.492 120.400 0.087 0.000 2.152 139 K HA -0.242 nan 4.320 nan 0.000 0.206 139 K C 1.680 178.331 176.600 0.085 0.000 1.048 139 K CA 2.551 58.883 56.287 0.074 0.000 0.933 139 K CB -0.054 32.487 32.500 0.068 0.000 0.721 139 K HN -0.343 7.959 8.250 0.087 0.000 0.447 140 D N -4.440 116.031 120.400 0.120 0.000 2.271 140 D HA 0.007 nan 4.640 nan 0.000 0.206 140 D C 1.109 177.422 176.300 0.021 0.000 0.967 140 D CA 1.034 55.094 54.000 0.100 0.000 0.867 140 D CB 1.173 42.087 40.800 0.190 0.000 0.960 140 D HN -0.456 7.883 8.370 0.157 0.125 0.509 141 G N -2.922 105.893 108.800 0.025 0.000 3.509 141 G HA2 -0.207 nan 3.960 nan 0.000 0.220 141 G HA3 -0.207 nan 3.960 nan 0.000 0.220 141 G C -1.403 173.477 174.900 -0.034 0.000 0.951 141 G CA 0.108 45.199 45.100 -0.015 0.000 0.844 141 G HN -0.031 8.297 8.290 0.063 0.000 0.568 142 A N 0.154 122.946 122.820 -0.046 0.000 2.409 142 A HA 0.047 nan 4.320 nan 0.000 0.267 142 A C -0.967 176.608 177.584 -0.014 0.000 1.127 142 A CA 0.213 52.187 52.037 -0.105 0.000 0.795 142 A CB 0.232 19.116 19.000 -0.194 0.000 1.061 142 A HN -0.322 7.734 8.150 0.006 0.097 0.502 143 D N 3.075 123.483 120.400 0.012 0.000 2.441 143 D HA 0.357 nan 4.640 nan 0.000 0.210 143 D C -1.484 174.950 176.300 0.225 0.000 1.102 143 D CA 0.828 54.900 54.000 0.119 0.000 0.840 143 D CB 1.868 42.761 40.800 0.154 0.000 0.990 143 D HN 0.301 8.538 8.370 -0.041 0.108 0.505 144 F N -4.227 115.729 119.950 0.009 0.000 2.668 144 F HA 0.826 nan 4.527 nan 0.000 0.309 144 F C -3.074 172.744 175.800 0.031 0.000 1.117 144 F CA -1.778 56.232 58.000 0.017 0.000 0.951 144 F CB 2.988 41.991 39.000 0.004 0.000 1.323 144 F HN -0.765 7.455 8.300 -0.134 0.000 0.451 145 A N -1.371 121.561 122.820 0.187 0.000 2.475 145 A HA 0.850 nan 4.320 nan 0.000 0.281 145 A C -2.467 175.296 177.584 0.299 0.000 1.263 145 A CA -1.710 50.404 52.037 0.129 0.000 0.776 145 A CB 3.437 22.580 19.000 0.239 0.000 1.347 145 A HN 0.864 9.220 8.150 0.343 0.000 0.443 146 K N -1.284 119.256 120.400 0.234 0.000 2.553 146 K HA 0.452 nan 4.320 nan 0.000 0.250 146 K C -2.579 174.040 176.600 0.031 0.000 0.953 146 K CA -0.590 55.803 56.287 0.177 0.000 0.800 146 K CB 3.893 36.454 32.500 0.102 0.000 1.243 146 K HN -0.168 8.185 8.250 0.172 0.000 0.435 147 W N 6.290 127.371 121.300 -0.366 0.000 2.683 147 W HA 0.233 nan 4.660 nan 0.000 0.329 147 W C -2.841 173.495 176.519 -0.305 0.000 1.037 147 W CA -1.447 55.558 57.345 -0.567 0.000 1.232 147 W CB 3.688 32.334 29.460 -1.357 0.000 1.390 147 W HN 0.002 8.203 8.180 0.035 0.000 0.465 148 R N 6.249 126.599 120.500 -0.251 0.000 2.387 148 R HA 0.653 nan 4.340 nan 0.000 0.314 148 R C -1.872 174.371 176.300 -0.094 0.000 0.958 148 R CA -1.134 54.899 56.100 -0.112 0.000 0.846 148 R CB 2.881 33.112 30.300 -0.115 0.000 1.147 148 R HN -0.213 7.865 8.270 -0.579 -0.155 0.447 149 C N 7.005 126.319 119.300 0.023 0.000 2.379 149 C HA 0.761 nan 4.460 nan 0.000 0.323 149 C C -1.726 173.268 174.990 0.007 0.000 1.262 149 C CA -0.486 58.557 59.018 0.041 0.000 1.581 149 C CB 2.336 30.130 27.740 0.090 0.000 2.221 149 C HN 0.817 9.066 8.230 0.030 0.000 0.497 150 V N 4.415 124.329 119.914 -0.001 0.000 2.448 150 V HA 0.609 nan 4.120 nan 0.000 0.295 150 V C -1.545 174.549 176.094 0.000 0.000 1.025 150 V CA -0.913 61.386 62.300 -0.002 0.000 0.859 150 V CB 1.228 33.047 31.823 -0.007 0.000 0.988 150 V HN 0.454 8.644 8.190 0.000 0.000 0.431 151 L N 5.660 126.880 121.223 -0.004 0.000 2.313 151 L HA 0.620 nan 4.340 nan 0.000 0.268 151 L C -1.013 175.849 176.870 -0.013 0.000 1.010 151 L CA -1.787 53.048 54.840 -0.008 0.000 0.814 151 L CB 2.750 44.800 42.059 -0.015 0.000 1.304 151 L HN 0.925 9.048 8.230 -0.004 0.105 0.441 152 K N -1.086 119.304 120.400 -0.017 0.000 2.464 152 K HA 0.266 nan 4.320 nan 0.000 0.253 152 K C -1.586 174.986 176.600 -0.045 0.000 0.933 152 K CA -1.052 55.221 56.287 -0.023 0.000 0.801 152 K CB 3.322 35.819 32.500 -0.004 0.000 1.271 152 K HN 0.263 8.506 8.250 -0.013 0.000 0.430 153 I N 2.240 122.759 120.570 -0.086 0.000 2.392 153 I HA 0.200 nan 4.170 nan 0.000 0.295 153 I C -0.576 175.500 176.117 -0.069 0.000 0.985 153 I CA -0.923 60.301 61.300 -0.126 0.000 1.221 153 I CB 1.430 39.230 38.000 -0.333 0.000 1.366 153 I HN 0.314 8.475 8.210 -0.082 0.000 0.467 154 G N 4.750 113.517 108.800 -0.056 0.000 2.550 154 G HA2 0.174 nan 3.960 nan 0.000 0.293 154 G HA3 0.174 nan 3.960 nan 0.000 0.293 154 G C -0.753 174.083 174.900 -0.107 0.000 1.402 154 G CA 0.216 45.281 45.100 -0.058 0.000 0.784 154 G HN -0.148 8.028 8.290 -0.052 0.083 0.482 155 E N -0.951 119.125 120.200 -0.205 0.000 2.208 155 E HA -0.262 nan 4.350 nan 0.000 0.202 155 E C -0.271 175.999 176.600 -0.550 0.000 1.014 155 E CA 2.430 58.577 56.400 -0.421 0.000 0.819 155 E CB 0.226 29.548 29.700 -0.630 0.000 0.735 155 E HN 0.374 8.633 8.360 -0.168 0.000 0.469 156 H N -5.473 113.602 119.070 0.008 0.000 2.904 156 H HA 0.336 nan 4.556 nan 0.000 0.242 156 H C -1.600 173.734 175.328 0.009 0.000 1.193 156 H CA -1.484 54.569 56.048 0.009 0.000 0.946 156 H CB 0.279 30.047 29.762 0.010 0.000 2.135 156 H HN -0.438 7.692 8.280 -0.187 0.038 0.652 157 T N -1.116 113.471 114.554 0.056 0.000 2.909 157 T HA 0.483 nan 4.350 nan 0.000 0.299 157 T C -2.434 172.272 174.700 0.010 0.000 1.073 157 T CA -2.889 59.233 62.100 0.036 0.000 0.999 157 T CB 1.846 70.726 68.868 0.020 0.000 1.098 157 T HN -0.199 7.920 8.240 0.007 0.125 0.477 158 P HA 0.224 nan 4.420 nan 0.000 0.274 158 P C -1.346 175.975 177.300 0.036 0.000 1.231 158 P CA -1.158 61.953 63.100 0.019 0.000 0.790 158 P CB 0.838 32.542 31.700 0.006 0.000 0.951 159 S N 2.002 117.724 115.700 0.036 0.000 2.645 159 S HA 0.051 nan 4.470 nan 0.000 0.266 159 S C 1.147 175.763 174.600 0.027 0.000 1.258 159 S CA -1.208 57.015 58.200 0.038 0.000 0.990 159 S CB 2.081 65.303 63.200 0.036 0.000 0.967 159 S HN -0.064 8.702 8.310 0.032 -0.438 0.556 160 A N 2.197 125.033 122.820 0.025 0.000 1.933 160 A HA -0.204 nan 4.320 nan 0.000 0.218 160 A C 1.598 179.191 177.584 0.015 0.000 1.175 160 A CA 3.078 55.126 52.037 0.019 0.000 0.628 160 A CB -0.767 18.243 19.000 0.018 0.000 0.814 160 A HN 0.729 8.895 8.150 0.027 0.000 0.444 161 L N -1.333 119.899 121.223 0.015 0.000 2.027 161 L HA -0.278 nan 4.340 nan 0.000 0.206 161 L C 1.390 178.268 176.870 0.014 0.000 1.074 161 L CA 2.073 56.921 54.840 0.014 0.000 0.745 161 L CB -0.379 41.688 42.059 0.014 0.000 0.898 161 L HN -0.504 7.725 8.230 0.017 0.010 0.433 162 A N -0.449 122.381 122.820 0.016 0.000 1.873 162 A HA -0.418 nan 4.320 nan 0.000 0.218 162 A C 2.185 179.774 177.584 0.009 0.000 1.193 162 A CA 3.132 55.177 52.037 0.015 0.000 0.629 162 A CB -0.961 18.049 19.000 0.016 0.000 0.826 162 A HN -0.599 7.495 8.150 0.018 0.066 0.447 163 I N -1.905 118.668 120.570 0.006 0.000 2.163 163 I HA -0.607 nan 4.170 nan 0.000 0.243 163 I C 1.967 178.080 176.117 -0.007 0.000 1.085 163 I CA 4.008 65.306 61.300 -0.003 0.000 1.347 163 I CB -0.242 37.756 38.000 -0.003 0.000 1.044 163 I HN -0.141 8.075 8.210 0.010 0.000 0.408 164 M N -0.201 119.398 119.600 -0.001 0.000 2.065 164 M HA -0.521 nan 4.480 nan 0.000 0.259 164 M C 2.009 178.308 176.300 -0.002 0.000 1.069 164 M CA 3.908 59.208 55.300 -0.001 0.000 1.110 164 M CB -0.227 32.377 32.600 0.007 0.000 1.328 164 M HN -0.676 7.617 8.290 0.004 0.000 0.405 165 E N -0.783 119.420 120.200 0.006 0.000 2.031 165 E HA -0.387 nan 4.350 nan 0.000 0.193 165 E C 2.367 178.971 176.600 0.006 0.000 0.994 165 E CA 3.111 59.517 56.400 0.010 0.000 0.800 165 E CB -0.450 29.262 29.700 0.021 0.000 0.752 165 E HN -0.008 8.357 8.360 0.009 0.000 0.447 166 N N -1.174 117.532 118.700 0.010 0.000 2.272 166 N HA -0.299 nan 4.740 nan 0.000 0.185 166 N C 2.237 177.732 175.510 -0.025 0.000 1.014 166 N CA 2.997 56.058 53.050 0.018 0.000 0.870 166 N CB 0.084 38.583 38.487 0.020 0.000 0.975 166 N HN -0.391 7.995 8.380 0.011 0.000 0.433 167 A N -0.966 121.824 122.820 -0.049 0.000 1.975 167 A HA -0.112 nan 4.320 nan 0.000 0.215 167 A C 1.820 179.319 177.584 -0.141 0.000 1.170 167 A CA 2.631 54.612 52.037 -0.094 0.000 0.656 167 A CB -0.348 18.606 19.000 -0.077 0.000 0.821 167 A HN -0.394 7.707 8.150 -0.032 0.030 0.449 168 N N -1.066 117.572 118.700 -0.102 0.000 2.216 168 N HA -0.196 nan 4.740 nan 0.000 0.183 168 N C 1.947 177.338 175.510 -0.198 0.000 1.017 168 N CA 2.775 55.747 53.050 -0.131 0.000 0.861 168 N CB 0.416 38.894 38.487 -0.016 0.000 0.986 168 N HN -0.530 7.719 8.380 -0.057 0.097 0.428 169 V N -0.017 119.814 119.914 -0.138 0.000 2.626 169 V HA -0.270 nan 4.120 nan 0.000 0.252 169 V C 1.339 177.173 176.094 -0.434 0.000 1.067 169 V CA 3.044 65.235 62.300 -0.181 0.000 1.081 169 V CB -0.528 31.299 31.823 0.006 0.000 0.686 169 V HN -0.190 7.953 8.190 -0.079 0.000 0.468 170 L N -1.258 119.744 121.223 -0.368 0.000 2.131 170 L HA -0.264 nan 4.340 nan 0.000 0.206 170 L C 1.580 178.274 176.870 -0.294 0.000 1.087 170 L CA 2.978 57.571 54.840 -0.412 0.000 0.767 170 L CB -0.597 41.329 42.059 -0.222 0.000 0.917 170 L HN -0.686 7.372 8.230 -0.242 0.026 0.441 171 A N -0.708 121.886 122.820 -0.376 0.000 1.969 171 A HA -0.255 nan 4.320 nan 0.000 0.218 171 A C 2.172 179.502 177.584 -0.424 0.000 1.169 171 A CA 3.180 54.934 52.037 -0.471 0.000 0.635 171 A CB -0.838 17.657 19.000 -0.841 0.000 0.810 171 A HN -0.438 7.482 8.150 -0.384 0.000 0.445 172 R N -2.138 118.133 120.500 -0.382 0.000 2.090 172 R HA -0.227 nan 4.340 nan 0.000 0.228 172 R C 1.993 178.169 176.300 -0.206 0.000 1.110 172 R CA 2.059 58.045 56.100 -0.190 0.000 0.973 172 R CB -0.446 29.781 30.300 -0.121 0.000 0.869 172 R HN -0.368 7.651 8.270 -0.419 0.000 0.440 173 Y N 0.899 120.901 120.300 -0.497 0.000 2.200 173 Y HA -0.401 nan 4.550 nan 0.000 0.290 173 Y C 0.898 176.635 175.900 -0.272 0.000 1.137 173 Y CA 3.165 60.951 58.100 -0.523 0.000 1.163 173 Y CB -0.431 37.388 38.460 -1.068 0.000 0.988 173 Y HN -0.642 7.412 8.280 -0.376 0.000 0.518 174 A N -1.786 120.697 122.820 -0.561 0.000 1.865 174 A HA -0.503 nan 4.320 nan 0.000 0.217 174 A C 1.801 179.188 177.584 -0.327 0.000 1.191 174 A CA 3.268 54.979 52.037 -0.543 0.000 0.623 174 A CB -0.935 17.910 19.000 -0.259 0.000 0.826 174 A HN 0.184 8.095 8.150 -0.284 0.068 0.444 175 S N -0.486 115.099 115.700 -0.191 0.000 2.359 175 S HA -0.440 nan 4.470 nan 0.000 0.222 175 S C 2.283 176.826 174.600 -0.095 0.000 1.038 175 S CA 3.267 61.415 58.200 -0.086 0.000 1.051 175 S CB -0.227 62.964 63.200 -0.015 0.000 0.944 175 S HN -0.506 7.692 8.310 -0.187 0.000 0.433 176 I N 1.556 122.058 120.570 -0.112 0.000 2.248 176 I HA -0.499 nan 4.170 nan 0.000 0.248 176 I C 1.810 177.870 176.117 -0.094 0.000 1.107 176 I CA 3.623 64.876 61.300 -0.080 0.000 1.373 176 I CB -0.314 37.651 38.000 -0.057 0.000 1.055 176 I HN -0.787 7.347 8.210 -0.127 0.000 0.418 177 C N -0.722 118.465 119.300 -0.189 0.000 2.429 177 C HA -0.438 nan 4.460 nan 0.000 0.277 177 C C 2.394 177.333 174.990 -0.085 0.000 1.262 177 C CA 4.251 63.169 59.018 -0.165 0.000 1.733 177 C CB -1.832 25.697 27.740 -0.352 0.000 2.010 177 C HN -0.291 7.751 8.230 -0.300 0.008 0.483 178 Q N -1.392 118.357 119.800 -0.085 0.000 2.167 178 Q HA -0.339 nan 4.340 nan 0.000 0.202 178 Q C 3.315 179.307 176.000 -0.014 0.000 0.970 178 Q CA 3.160 58.949 55.803 -0.025 0.000 0.855 178 Q CB -0.358 28.380 28.738 0.001 0.000 0.911 178 Q HN -0.202 7.910 8.270 -0.128 0.082 0.438 179 Q N 0.061 119.849 119.800 -0.021 0.000 2.119 179 Q HA -0.206 nan 4.340 nan 0.000 0.201 179 Q C 1.598 177.594 176.000 -0.007 0.000 0.972 179 Q CA 2.377 58.172 55.803 -0.013 0.000 0.847 179 Q CB -0.313 28.418 28.738 -0.012 0.000 0.903 179 Q HN -0.270 7.980 8.270 -0.034 0.000 0.433 180 N N -2.761 115.937 118.700 -0.005 0.000 2.434 180 N HA -0.006 nan 4.740 nan 0.000 0.196 180 N C -0.309 175.212 175.510 0.019 0.000 1.183 180 N CA -0.031 53.024 53.050 0.008 0.000 0.849 180 N CB -0.087 38.409 38.487 0.014 0.000 0.992 180 N HN -0.644 7.728 8.380 -0.013 0.000 0.460 181 G N -1.586 107.223 108.800 0.015 0.000 2.221 181 G HA2 -0.530 nan 3.960 nan 0.000 0.265 181 G HA3 -0.530 nan 3.960 nan 0.000 0.265 181 G C -1.442 173.484 174.900 0.044 0.000 1.041 181 G CA 0.866 45.982 45.100 0.026 0.000 0.807 181 G HN -0.512 7.574 8.290 0.005 0.207 0.502 182 I N -1.347 119.248 120.570 0.042 0.000 2.436 182 I HA 0.336 nan 4.170 nan 0.000 0.289 182 I C -0.735 175.419 176.117 0.061 0.000 1.010 182 I CA -1.208 60.131 61.300 0.065 0.000 1.098 182 I CB 2.519 40.559 38.000 0.066 0.000 1.266 182 I HN -0.386 7.838 8.210 0.022 0.000 0.434 183 V N 7.509 127.490 119.914 0.113 0.000 2.521 183 V HA 0.121 nan 4.120 nan 0.000 0.286 183 V C -1.933 174.233 176.094 0.119 0.000 1.034 183 V CA -2.392 59.971 62.300 0.105 0.000 1.045 183 V CB -0.079 31.810 31.823 0.110 0.000 0.974 183 V HN 0.516 8.796 8.190 0.150 0.000 0.480 184 P HA 0.542 nan 4.420 nan 0.000 0.301 184 P C -1.572 175.815 177.300 0.145 0.000 1.338 184 P CA -1.598 61.516 63.100 0.023 0.000 0.834 184 P CB 0.731 32.215 31.700 -0.359 0.000 0.967 185 I N 3.469 124.213 120.570 0.290 0.000 2.440 185 I HA 0.442 nan 4.170 nan 0.000 0.294 185 I C -0.511 175.753 176.117 0.245 0.000 0.995 185 I CA -0.723 60.690 61.300 0.189 0.000 1.306 185 I CB 1.584 39.681 38.000 0.162 0.000 1.407 185 I HN -0.257 8.196 8.210 0.405 0.000 0.501 186 V N 6.103 126.079 119.914 0.103 0.000 2.334 186 V HA 0.488 nan 4.120 nan 0.000 0.281 186 V C -1.670 174.420 176.094 -0.007 0.000 1.016 186 V CA -1.436 60.897 62.300 0.056 0.000 0.832 186 V CB 0.099 31.886 31.823 -0.060 0.000 0.999 186 V HN 0.966 9.174 8.190 0.030 0.000 0.439 187 A N 7.265 130.096 122.820 0.019 0.000 2.394 187 A HA 0.751 nan 4.320 nan 0.000 0.333 187 A C -3.172 174.413 177.584 0.001 0.000 1.397 187 A CA -3.156 48.882 52.037 0.000 0.000 0.884 187 A CB 0.990 19.998 19.000 0.013 0.000 1.147 187 A HN 0.410 8.592 8.150 0.054 0.000 0.505 188 P HA 0.203 nan 4.420 nan 0.000 0.203 188 P C -1.261 176.031 177.300 -0.013 0.000 1.874 188 P CA -1.117 61.969 63.100 -0.023 0.000 1.058 188 P CB -0.696 30.969 31.700 -0.058 0.000 1.848 189 E N 2.277 122.477 120.200 0.001 0.000 2.406 189 E HA -0.138 nan 4.350 nan 0.000 0.258 189 E C -1.079 175.524 176.600 0.004 0.000 1.043 189 E CA -0.428 55.979 56.400 0.011 0.000 0.929 189 E CB 0.302 30.013 29.700 0.018 0.000 0.969 189 E HN -0.372 7.937 8.360 0.003 0.052 0.462 190 I N 5.223 125.795 120.570 0.003 0.000 2.499 190 I HA 0.256 nan 4.170 nan 0.000 0.296 190 I C 0.015 176.130 176.117 -0.004 0.000 0.992 190 I CA -1.691 59.602 61.300 -0.011 0.000 1.297 190 I CB 0.698 38.682 38.000 -0.027 0.000 1.410 190 I HN -0.115 8.362 8.210 0.012 -0.260 0.507 191 L N 5.499 126.716 121.223 -0.010 0.000 2.380 191 L HA 0.209 nan 4.340 nan 0.000 0.273 191 L C -0.387 176.499 176.870 0.026 0.000 1.138 191 L CA -1.858 52.986 54.840 0.006 0.000 0.832 191 L CB -0.098 41.969 42.059 0.014 0.000 1.124 191 L HN -0.115 8.103 8.230 -0.021 0.000 0.454 192 P HA 0.160 nan 4.420 nan 0.000 0.256 192 P C -1.517 175.668 177.300 -0.193 0.000 1.384 192 P CA -0.185 62.839 63.100 -0.127 0.000 0.879 192 P CB 0.198 31.672 31.700 -0.376 0.000 1.403 193 D N -0.024 120.387 120.400 0.019 0.000 2.478 193 D HA -0.041 nan 4.640 nan 0.000 0.269 193 D C 0.280 176.664 176.300 0.139 0.000 1.232 193 D CA -0.069 53.983 54.000 0.086 0.000 1.059 193 D CB 1.251 42.113 40.800 0.103 0.000 1.104 193 D HN -0.656 7.656 8.370 0.056 0.092 0.566 194 G N -2.663 106.206 108.800 0.115 0.000 2.855 194 G HA2 -0.283 nan 3.960 nan 0.000 0.352 194 G HA3 -0.283 nan 3.960 nan 0.000 0.352 194 G C -0.880 174.049 174.900 0.049 0.000 1.415 194 G CA -0.030 45.136 45.100 0.110 0.000 0.871 194 G HN 0.002 8.356 8.290 0.107 0.000 0.543 195 D N -0.988 119.442 120.400 0.050 0.000 2.460 195 D HA -0.086 nan 4.640 nan 0.000 0.229 195 D C -0.706 175.604 176.300 0.017 0.000 1.170 195 D CA -0.369 53.636 54.000 0.009 0.000 0.827 195 D CB -1.134 39.679 40.800 0.023 0.000 0.973 195 D HN 0.151 8.565 8.370 0.073 0.000 0.496 196 H N -1.434 117.651 119.070 0.026 0.000 2.764 196 H HA 0.050 nan 4.556 nan 0.000 0.341 196 H C -1.033 174.321 175.328 0.043 0.000 1.072 196 H CA -0.473 55.588 56.048 0.022 0.000 1.444 196 H CB 0.768 30.534 29.762 0.006 0.000 1.458 196 H HN -0.467 7.737 8.280 0.018 0.087 0.572 197 D N 0.472 120.946 120.400 0.123 0.000 2.414 197 D HA -0.117 nan 4.640 nan 0.000 0.251 197 D C 0.482 176.822 176.300 0.067 0.000 1.252 197 D CA -0.601 53.462 54.000 0.105 0.000 0.999 197 D CB 1.005 41.892 40.800 0.145 0.000 1.093 197 D HN -0.010 8.447 8.370 0.146 0.000 0.515 198 L N -0.396 120.755 121.223 -0.120 0.000 2.012 198 L HA -0.312 nan 4.340 nan 0.000 0.210 198 L C 1.443 178.272 176.870 -0.067 0.000 1.073 198 L CA 3.697 58.392 54.840 -0.242 0.000 0.748 198 L CB 0.077 41.715 42.059 -0.702 0.000 0.891 198 L HN 0.090 8.232 8.230 -0.147 0.000 0.431 199 K N -1.926 118.456 120.400 -0.030 0.000 2.103 199 K HA -0.449 nan 4.320 nan 0.000 0.207 199 K C 2.221 178.865 176.600 0.073 0.000 1.048 199 K CA 3.649 59.953 56.287 0.028 0.000 0.930 199 K CB -0.532 31.984 32.500 0.028 0.000 0.716 199 K HN -0.110 8.115 8.250 -0.041 0.000 0.444 200 R N -0.544 120.002 120.500 0.078 0.000 2.070 200 R HA -0.247 nan 4.340 nan 0.000 0.233 200 R C 1.958 178.309 176.300 0.086 0.000 1.137 200 R CA 2.945 59.093 56.100 0.080 0.000 0.945 200 R CB -0.625 29.745 30.300 0.116 0.000 0.845 200 R HN -0.229 8.251 8.270 0.078 -0.163 0.430 201 C N -0.171 119.208 119.300 0.133 0.000 2.413 201 C HA -0.319 nan 4.460 nan 0.000 0.276 201 C C 1.805 176.826 174.990 0.052 0.000 1.236 201 C CA 3.354 62.410 59.018 0.064 0.000 1.735 201 C CB -1.996 25.856 27.740 0.186 0.000 2.031 201 C HN -0.215 8.157 8.230 0.236 0.000 0.474 202 Q N 0.405 120.244 119.800 0.065 0.000 2.002 202 Q HA -0.444 nan 4.340 nan 0.000 0.204 202 Q C 1.716 177.767 176.000 0.086 0.000 0.988 202 Q CA 3.526 59.364 55.803 0.059 0.000 0.843 202 Q CB -0.243 28.527 28.738 0.053 0.000 0.908 202 Q HN 0.156 8.463 8.270 0.062 0.000 0.420 203 Y N -0.201 120.096 120.300 -0.005 0.000 2.151 203 Y HA -0.524 nan 4.550 nan 0.000 0.284 203 Y C 2.121 178.014 175.900 -0.011 0.000 1.166 203 Y CA 3.763 61.861 58.100 -0.003 0.000 1.163 203 Y CB 0.223 38.683 38.460 0.000 0.000 0.974 203 Y HN -0.020 8.404 8.280 0.239 0.000 0.511 204 V N -2.051 117.963 119.914 0.168 0.000 2.343 204 V HA -0.566 nan 4.120 nan 0.000 0.247 204 V C 1.879 177.961 176.094 -0.020 0.000 1.051 204 V CA 4.577 66.914 62.300 0.063 0.000 1.036 204 V CB -1.166 30.665 31.823 0.013 0.000 0.654 204 V HN 0.041 8.346 8.190 0.191 0.000 0.451 205 T N 1.684 116.229 114.554 -0.014 0.000 2.737 205 T HA -0.432 nan 4.350 nan 0.000 0.269 205 T C 1.854 176.528 174.700 -0.044 0.000 1.040 205 T CA 5.056 67.143 62.100 -0.021 0.000 1.142 205 T CB -0.779 68.090 68.868 0.002 0.000 0.861 205 T HN 0.021 8.266 8.240 0.007 0.000 0.456 206 E N 0.778 120.931 120.200 -0.079 0.000 2.077 206 E HA -0.385 nan 4.350 nan 0.000 0.193 206 E C 2.394 178.917 176.600 -0.128 0.000 0.989 206 E CA 3.189 59.522 56.400 -0.112 0.000 0.800 206 E CB -0.304 29.291 29.700 -0.176 0.000 0.746 206 E HN -0.265 7.946 8.360 -0.076 0.104 0.452 207 K N -1.355 118.941 120.400 -0.173 0.000 2.002 207 K HA -0.193 nan 4.320 nan 0.000 0.209 207 K C 2.600 179.161 176.600 -0.065 0.000 1.048 207 K CA 2.409 58.620 56.287 -0.128 0.000 0.930 207 K CB -0.531 31.899 32.500 -0.116 0.000 0.714 207 K HN -0.677 7.442 8.250 -0.218 0.000 0.438 208 V N -2.833 117.048 119.914 -0.054 0.000 2.282 208 V HA -0.333 nan 4.120 nan 0.000 0.249 208 V C 2.051 178.115 176.094 -0.050 0.000 1.057 208 V CA 3.578 65.851 62.300 -0.045 0.000 1.032 208 V CB -1.167 30.632 31.823 -0.041 0.000 0.645 208 V HN -0.513 7.642 8.190 -0.058 0.000 0.447 209 L N -0.932 120.267 121.223 -0.040 0.000 2.056 209 L HA -0.394 nan 4.340 nan 0.000 0.207 209 L C 2.032 178.925 176.870 0.038 0.000 1.078 209 L CA 2.940 57.769 54.840 -0.019 0.000 0.749 209 L CB -1.254 40.822 42.059 0.027 0.000 0.901 209 L HN -0.495 7.712 8.230 -0.039 0.000 0.433 210 A N -0.973 121.864 122.820 0.029 0.000 1.892 210 A HA -0.440 nan 4.320 nan 0.000 0.218 210 A C 1.969 179.575 177.584 0.037 0.000 1.188 210 A CA 3.155 55.219 52.037 0.044 0.000 0.631 210 A CB -1.008 17.993 19.000 0.001 0.000 0.822 210 A HN -0.408 7.740 8.150 -0.002 0.000 0.447 211 A N -3.687 119.133 122.820 -0.000 0.000 2.015 211 A HA -0.210 nan 4.320 nan 0.000 0.219 211 A C 2.322 179.886 177.584 -0.033 0.000 1.163 211 A CA 2.701 54.731 52.037 -0.011 0.000 0.646 211 A CB -0.483 18.505 19.000 -0.021 0.000 0.806 211 A HN -0.438 7.703 8.150 -0.014 0.000 0.448 212 V N 0.172 120.041 119.914 -0.074 0.000 2.283 212 V HA -0.408 nan 4.120 nan 0.000 0.243 212 V C 1.707 177.690 176.094 -0.186 0.000 1.039 212 V CA 4.851 67.046 62.300 -0.174 0.000 1.016 212 V CB -0.646 31.006 31.823 -0.285 0.000 0.650 212 V HN -0.344 7.672 8.190 -0.063 0.136 0.449 213 Y N -2.168 118.107 120.300 -0.043 0.000 2.421 213 Y HA -0.414 nan 4.550 nan 0.000 0.292 213 Y C 2.057 177.946 175.900 -0.019 0.000 1.136 213 Y CA 3.484 61.564 58.100 -0.034 0.000 1.255 213 Y CB -0.282 38.160 38.460 -0.029 0.000 0.991 213 Y HN -0.002 8.278 8.280 -0.000 0.000 0.552 214 K N -0.030 120.436 120.400 0.110 0.000 2.167 214 K HA -0.236 nan 4.320 nan 0.000 0.203 214 K C 1.448 178.076 176.600 0.047 0.000 1.052 214 K CA 1.458 57.788 56.287 0.071 0.000 0.956 214 K CB -0.773 31.756 32.500 0.049 0.000 0.735 214 K HN -0.467 7.715 8.250 0.087 0.121 0.451 215 A N -0.319 122.507 122.820 0.011 0.000 1.929 215 A HA -0.081 nan 4.320 nan 0.000 0.216 215 A C 2.269 179.847 177.584 -0.010 0.000 1.176 215 A CA 2.775 54.809 52.037 -0.005 0.000 0.628 215 A CB -0.768 18.179 19.000 -0.088 0.000 0.816 215 A HN -0.434 7.586 8.150 -0.011 0.124 0.444 216 L N -2.880 118.319 121.223 -0.040 0.000 2.046 216 L HA -0.441 nan 4.340 nan 0.000 0.208 216 L C 1.959 178.861 176.870 0.054 0.000 1.077 216 L CA 2.867 57.694 54.840 -0.022 0.000 0.747 216 L CB -0.517 41.549 42.059 0.012 0.000 0.896 216 L HN 0.163 8.293 8.230 -0.047 0.072 0.432 217 S N -0.553 115.193 115.700 0.077 0.000 2.353 217 S HA -0.376 nan 4.470 nan 0.000 0.222 217 S C 2.589 177.194 174.600 0.008 0.000 1.035 217 S CA 3.561 61.808 58.200 0.079 0.000 1.025 217 S CB -0.245 63.005 63.200 0.083 0.000 0.902 217 S HN -0.224 8.136 8.310 0.084 0.000 0.440 218 D N 0.513 120.912 120.400 -0.002 0.000 2.221 218 D HA -0.227 nan 4.640 nan 0.000 0.204 218 D C 0.701 176.750 176.300 -0.417 0.000 0.982 218 D CA 2.507 56.434 54.000 -0.123 0.000 0.857 218 D CB -0.373 40.421 40.800 -0.010 0.000 0.934 218 D HN -0.421 7.980 8.370 0.051 0.000 0.475 219 H N -4.754 114.096 119.070 -0.367 0.000 2.551 219 H HA 0.066 nan 4.556 nan 0.000 0.271 219 H C -0.549 174.571 175.328 -0.347 0.000 0.984 219 H CA -0.247 55.583 56.048 -0.363 0.000 1.164 219 H CB 1.148 30.808 29.762 -0.169 0.000 1.437 219 H HN -0.802 7.391 8.280 0.101 0.147 0.550 220 H N -5.232 113.911 119.070 0.121 0.000 2.889 220 H HA -0.418 nan 4.556 nan 0.000 0.324 220 H C -0.831 174.558 175.328 0.102 0.000 1.274 220 H CA 0.825 56.929 56.048 0.093 0.000 1.176 220 H CB -3.001 26.802 29.762 0.069 0.000 1.479 220 H HN -0.135 7.811 8.280 -0.234 0.194 0.438 221 I N -0.713 119.954 120.570 0.161 0.000 2.474 221 I HA -0.081 nan 4.170 nan 0.000 0.287 221 I C -0.044 176.183 176.117 0.182 0.000 1.048 221 I CA -1.937 59.443 61.300 0.133 0.000 1.383 221 I CB 0.020 38.057 38.000 0.062 0.000 1.412 221 I HN -0.413 7.874 8.210 0.128 0.000 0.531 222 Y N 9.575 129.904 120.300 0.048 0.000 2.594 222 Y HA -0.054 nan 4.550 nan 0.000 0.344 222 Y C -0.155 175.773 175.900 0.048 0.000 1.185 222 Y CA -1.225 56.902 58.100 0.046 0.000 1.565 222 Y CB -1.342 37.138 38.460 0.033 0.000 1.415 222 Y HN -0.150 8.563 8.280 0.250 -0.282 0.488 223 L N 7.352 128.494 121.223 -0.135 0.000 2.103 223 L HA -0.570 nan 4.340 nan 0.000 0.215 223 L C 1.542 178.249 176.870 -0.272 0.000 1.080 223 L CA 3.750 58.507 54.840 -0.138 0.000 0.764 223 L CB -0.550 41.457 42.059 -0.088 0.000 0.890 223 L HN -0.102 8.084 8.230 -0.027 0.029 0.435 224 E N -2.973 116.850 120.200 -0.628 0.000 2.268 224 E HA -0.196 nan 4.350 nan 0.000 0.195 224 E C 1.139 177.583 176.600 -0.260 0.000 0.995 224 E CA 2.132 58.242 56.400 -0.485 0.000 0.836 224 E CB -0.372 28.971 29.700 -0.595 0.000 0.763 224 E HN 0.250 7.984 8.360 -1.002 0.025 0.491 225 G N -2.064 106.608 108.800 -0.214 0.000 4.403 225 G HA2 0.253 nan 3.960 nan 0.000 0.297 225 G HA3 0.253 nan 3.960 nan 0.000 0.297 225 G C -1.857 173.062 174.900 0.032 0.000 1.325 225 G CA -0.685 44.457 45.100 0.070 0.000 1.378 225 G HN -0.200 7.696 8.290 -0.404 0.152 0.595 226 T N -2.456 112.084 114.554 -0.024 0.000 2.786 226 T HA 0.216 nan 4.350 nan 0.000 0.316 226 T C -2.322 172.349 174.700 -0.048 0.000 1.503 226 T CA -1.471 60.619 62.100 -0.018 0.000 1.019 226 T CB 2.777 71.644 68.868 -0.001 0.000 1.415 226 T HN -0.864 7.287 8.240 -0.056 0.055 0.496 227 L N -0.634 120.561 121.223 -0.046 0.000 2.431 227 L HA 0.832 nan 4.340 nan 0.000 0.266 227 L C -2.380 174.440 176.870 -0.083 0.000 0.978 227 L CA -0.478 54.306 54.840 -0.093 0.000 0.822 227 L CB 4.736 46.709 42.059 -0.142 0.000 1.310 227 L HN -0.095 8.127 8.230 -0.014 0.000 0.409 228 L N 3.317 124.462 121.223 -0.128 0.000 2.272 228 L HA 0.569 nan 4.340 nan 0.000 0.289 228 L C -2.028 174.717 176.870 -0.208 0.000 1.032 228 L CA -0.963 53.788 54.840 -0.150 0.000 0.810 228 L CB 2.087 44.059 42.059 -0.144 0.000 1.205 228 L HN 0.290 8.425 8.230 -0.159 0.000 0.422 229 K N 7.800 128.109 120.400 -0.151 0.000 2.423 229 K HA 0.420 nan 4.320 nan 0.000 0.234 229 K C -2.466 174.073 176.600 -0.102 0.000 1.051 229 K CA -2.438 53.764 56.287 -0.142 0.000 1.021 229 K CB 0.452 32.912 32.500 -0.066 0.000 1.474 229 K HN 0.319 8.400 8.250 -0.111 0.103 0.474 230 P HA 0.219 nan 4.420 nan 0.000 0.287 230 P C -1.874 175.496 177.300 0.116 0.000 1.290 230 P CA -1.765 61.322 63.100 -0.021 0.000 0.889 230 P CB 1.918 33.593 31.700 -0.043 0.000 1.190 231 N N -0.991 117.777 118.700 0.113 0.000 2.488 231 N HA -0.133 nan 4.740 nan 0.000 0.274 231 N C -0.494 175.127 175.510 0.185 0.000 1.111 231 N CA -0.338 52.796 53.050 0.141 0.000 0.974 231 N CB 0.279 38.811 38.487 0.074 0.000 1.089 231 N HN 0.168 8.587 8.380 0.065 0.000 0.465 232 M N 0.714 120.425 119.600 0.185 0.000 2.252 232 M HA -0.172 nan 4.480 nan 0.000 0.321 232 M C 0.121 176.426 176.300 0.009 0.000 1.070 232 M CA 0.652 55.964 55.300 0.019 0.000 1.143 232 M CB 1.055 33.572 32.600 -0.138 0.000 1.498 232 M HN 0.120 8.525 8.290 0.192 0.000 0.445 233 V N 3.880 123.777 119.914 -0.027 0.000 2.405 233 V HA 0.017 nan 4.120 nan 0.000 0.264 233 V C -0.907 175.167 176.094 -0.033 0.000 1.048 233 V CA 0.005 62.299 62.300 -0.011 0.000 0.966 233 V CB -1.715 30.102 31.823 -0.010 0.000 1.015 233 V HN 0.011 8.154 8.190 -0.078 0.000 0.477 234 T N 3.635 118.183 114.554 -0.010 0.000 2.868 234 T HA 0.520 nan 4.350 nan 0.000 0.306 234 T C -2.694 171.991 174.700 -0.025 0.000 1.224 234 T CA -2.719 59.360 62.100 -0.035 0.000 1.012 234 T CB 1.287 70.149 68.868 -0.011 0.000 1.221 234 T HN -0.441 7.815 8.240 0.027 0.000 0.499 235 P HA 0.220 nan 4.420 nan 0.000 0.306 235 P C -0.337 176.648 177.300 -0.525 0.000 1.301 235 P CA -0.508 62.463 63.100 -0.215 0.000 0.744 235 P CB 0.893 32.573 31.700 -0.033 0.000 1.400 236 G N -3.093 105.177 108.800 -0.882 0.000 2.504 236 G HA2 0.040 nan 3.960 nan 0.000 0.288 236 G HA3 0.040 nan 3.960 nan 0.000 0.288 236 G C 1.444 176.235 174.900 -0.182 0.000 1.182 236 G CA -1.007 43.666 45.100 -0.713 0.000 0.894 236 G HN 0.100 7.993 8.290 -0.662 0.000 0.521 237 H N 3.390 122.409 119.070 -0.084 0.000 2.457 237 H HA -0.201 nan 4.556 nan 0.000 0.294 237 H C 1.047 176.359 175.328 -0.026 0.000 1.064 237 H CA 2.209 58.240 56.048 -0.029 0.000 1.330 237 H CB 0.074 29.836 29.762 0.000 0.000 1.395 237 H HN 0.392 8.538 8.280 -0.069 0.093 0.541 238 A N -2.449 120.425 122.820 0.090 0.000 2.238 238 A HA -0.009 nan 4.320 nan 0.000 0.210 238 A C -0.582 177.012 177.584 0.017 0.000 1.179 238 A CA -0.583 51.482 52.037 0.046 0.000 0.827 238 A CB 0.171 19.197 19.000 0.043 0.000 0.856 238 A HN -0.086 7.982 8.150 0.063 0.120 0.488 239 C N -1.370 117.929 119.300 -0.003 0.000 2.665 239 C HA -0.138 nan 4.460 nan 0.000 0.416 239 C C 1.128 176.120 174.990 0.003 0.000 1.305 239 C CA 1.839 60.856 59.018 -0.002 0.000 1.903 239 C CB 0.465 28.206 27.740 0.001 0.000 2.704 239 C HN -0.465 7.570 8.230 -0.016 0.186 0.629 240 T N 2.227 116.773 114.554 -0.013 0.000 3.044 240 T HA 0.035 nan 4.350 nan 0.000 0.260 240 T C -0.409 174.242 174.700 -0.083 0.000 1.019 240 T CA -0.113 61.966 62.100 -0.035 0.000 0.921 240 T CB -0.148 68.702 68.868 -0.030 0.000 1.053 240 T HN 0.238 8.472 8.240 -0.010 0.000 0.533 241 Q N 2.321 122.053 119.800 -0.115 0.000 2.294 241 Q HA 0.054 nan 4.340 nan 0.000 0.257 241 Q C -0.703 174.993 176.000 -0.507 0.000 0.955 241 Q CA -0.390 55.233 55.803 -0.299 0.000 0.936 241 Q CB 0.639 29.193 28.738 -0.307 0.000 1.188 241 Q HN -0.645 7.532 8.270 -0.052 0.062 0.420 242 K N 6.208 126.334 120.400 -0.457 0.000 2.295 242 K HA 0.038 nan 4.320 nan 0.000 0.270 242 K C -0.974 175.252 176.600 -0.623 0.000 1.011 242 K CA 0.325 56.389 56.287 -0.372 0.000 0.953 242 K CB 0.614 32.987 32.500 -0.211 0.000 0.956 242 K HN 0.332 8.369 8.250 -0.356 0.000 0.477 243 Y N -0.412 119.859 120.300 -0.049 0.000 2.504 243 Y HA 0.291 nan 4.550 nan 0.000 0.344 243 Y C -0.880 174.961 175.900 -0.098 0.000 1.023 243 Y CA -1.707 56.364 58.100 -0.050 0.000 1.020 243 Y CB 2.626 41.071 38.460 -0.025 0.000 1.282 243 Y HN -0.207 8.052 8.280 -0.036 0.000 0.454 244 S N 2.111 117.853 115.700 0.070 0.000 2.645 244 S HA 0.267 nan 4.470 nan 0.000 0.266 244 S C 0.720 175.303 174.600 -0.028 0.000 1.258 244 S CA -0.947 57.211 58.200 -0.071 0.000 0.990 244 S CB 1.965 65.151 63.200 -0.024 0.000 0.967 244 S HN 0.464 9.171 8.310 0.131 -0.319 0.556 245 H N 1.786 120.886 119.070 0.050 0.000 2.495 245 H HA -0.084 nan 4.556 nan 0.000 0.287 245 H C 2.401 177.743 175.328 0.024 0.000 1.033 245 H CA 2.355 58.423 56.048 0.032 0.000 1.307 245 H CB -0.201 29.577 29.762 0.027 0.000 1.401 245 H HN 0.646 8.774 8.280 -0.253 0.000 0.555 246 E N 0.558 120.834 120.200 0.127 0.000 2.047 246 E HA -0.301 nan 4.350 nan 0.000 0.191 246 E C 2.001 178.638 176.600 0.063 0.000 0.987 246 E CA 3.438 59.887 56.400 0.083 0.000 0.799 246 E CB -0.310 29.428 29.700 0.063 0.000 0.752 246 E HN 0.487 8.869 8.360 0.099 0.036 0.449 247 E N -0.423 119.815 120.200 0.064 0.000 2.051 247 E HA -0.319 nan 4.350 nan 0.000 0.192 247 E C 2.673 179.277 176.600 0.007 0.000 0.991 247 E CA 2.809 59.237 56.400 0.047 0.000 0.799 247 E CB -0.111 29.645 29.700 0.093 0.000 0.748 247 E HN -0.615 7.788 8.360 0.072 0.000 0.449 248 I N -0.795 119.785 120.570 0.016 0.000 2.264 248 I HA -0.497 nan 4.170 nan 0.000 0.248 248 I C 1.581 177.688 176.117 -0.018 0.000 1.111 248 I CA 3.577 64.868 61.300 -0.015 0.000 1.382 248 I CB -0.300 37.720 38.000 0.034 0.000 1.060 248 I HN -0.489 7.755 8.210 0.056 0.000 0.418 249 A N 0.309 123.136 122.820 0.010 0.000 1.865 249 A HA -0.377 nan 4.320 nan 0.000 0.217 249 A C 2.107 179.700 177.584 0.015 0.000 1.191 249 A CA 3.274 55.312 52.037 0.002 0.000 0.623 249 A CB -0.867 18.152 19.000 0.031 0.000 0.826 249 A HN -0.198 7.891 8.150 0.041 0.085 0.444 250 M N -1.753 117.863 119.600 0.026 0.000 2.073 250 M HA -0.457 nan 4.480 nan 0.000 0.258 250 M C 2.648 178.964 176.300 0.028 0.000 1.070 250 M CA 3.079 58.399 55.300 0.033 0.000 1.103 250 M CB -0.619 32.001 32.600 0.032 0.000 1.321 250 M HN -0.201 8.106 8.290 0.029 0.000 0.405 251 A N -2.830 119.992 122.820 0.004 0.000 1.940 251 A HA -0.335 nan 4.320 nan 0.000 0.219 251 A C 1.964 179.557 177.584 0.016 0.000 1.176 251 A CA 3.362 55.398 52.037 -0.001 0.000 0.631 251 A CB -0.963 18.012 19.000 -0.042 0.000 0.814 251 A HN 0.023 8.168 8.150 -0.009 0.000 0.446 252 T N 2.479 117.037 114.554 0.007 0.000 2.639 252 T HA -0.272 nan 4.350 nan 0.000 0.261 252 T C 1.918 176.668 174.700 0.083 0.000 1.053 252 T CA 4.471 66.585 62.100 0.024 0.000 1.158 252 T CB -0.352 68.480 68.868 -0.059 0.000 0.863 252 T HN -0.644 7.485 8.240 -0.009 0.105 0.413 253 V N 1.214 121.193 119.914 0.108 0.000 2.407 253 V HA -0.431 nan 4.120 nan 0.000 0.248 253 V C 1.776 177.971 176.094 0.168 0.000 1.055 253 V CA 4.826 67.235 62.300 0.182 0.000 1.049 253 V CB -1.292 30.647 31.823 0.193 0.000 0.662 253 V HN -0.082 8.155 8.190 0.078 0.000 0.455 254 T N 1.012 115.631 114.554 0.109 0.000 2.684 254 T HA -0.353 nan 4.350 nan 0.000 0.267 254 T C 1.430 176.182 174.700 0.087 0.000 1.036 254 T CA 5.209 67.364 62.100 0.092 0.000 1.148 254 T CB -0.619 68.286 68.868 0.063 0.000 0.863 254 T HN 0.095 8.387 8.240 0.088 0.000 0.436 255 A N 1.088 123.949 122.820 0.068 0.000 1.902 255 A HA -0.223 nan 4.320 nan 0.000 0.217 255 A C 1.788 179.401 177.584 0.048 0.000 1.181 255 A CA 3.050 55.115 52.037 0.046 0.000 0.623 255 A CB -0.901 18.119 19.000 0.034 0.000 0.818 255 A HN -0.529 7.660 8.150 0.065 0.000 0.443 256 L N -2.193 119.062 121.223 0.054 0.000 1.976 256 L HA -0.537 nan 4.340 nan 0.000 0.209 256 L C 2.361 179.314 176.870 0.139 0.000 1.071 256 L CA 3.288 58.112 54.840 -0.026 0.000 0.746 256 L CB -0.616 41.329 42.059 -0.190 0.000 0.890 256 L HN 0.051 8.254 8.230 0.077 0.073 0.432 257 R N -2.722 117.970 120.500 0.319 0.000 2.117 257 R HA -0.367 nan 4.340 nan 0.000 0.243 257 R C 2.385 178.796 176.300 0.185 0.000 1.143 257 R CA 2.895 59.205 56.100 0.350 0.000 0.968 257 R CB -0.437 30.001 30.300 0.231 0.000 0.863 257 R HN 0.070 8.522 8.270 0.302 0.000 0.444 258 R N -3.924 116.645 120.500 0.115 0.000 2.276 258 R HA -0.019 nan 4.340 nan 0.000 0.203 258 R C 1.112 177.441 176.300 0.048 0.000 1.017 258 R CA 1.748 57.886 56.100 0.064 0.000 1.010 258 R CB 0.165 30.488 30.300 0.039 0.000 0.900 258 R HN -0.609 7.710 8.270 0.114 0.019 0.469 259 T N -7.035 107.553 114.554 0.056 0.000 2.993 259 T HA 0.224 nan 4.350 nan 0.000 0.260 259 T C -0.254 174.457 174.700 0.019 0.000 0.939 259 T CA 0.045 62.177 62.100 0.052 0.000 0.886 259 T CB 1.974 70.882 68.868 0.068 0.000 1.209 259 T HN -0.339 7.787 8.240 0.073 0.157 0.518 260 V N 4.198 124.105 119.914 -0.013 0.000 2.318 260 V HA 0.543 nan 4.120 nan 0.000 0.271 260 V C -1.986 174.103 176.094 -0.009 0.000 1.030 260 V CA -3.393 58.788 62.300 -0.198 0.000 0.844 260 V CB -0.386 31.223 31.823 -0.358 0.000 1.015 260 V HN 0.152 8.380 8.190 0.064 0.000 0.460 261 P HA 0.257 nan 4.420 nan 0.000 0.268 261 P C -0.926 176.409 177.300 0.058 0.000 1.205 261 P CA -0.958 62.073 63.100 -0.115 0.000 0.771 261 P CB -0.558 30.991 31.700 -0.251 0.000 0.858 262 P HA -0.158 nan 4.420 nan 0.000 0.229 262 P C -0.661 176.633 177.300 -0.010 0.000 1.150 262 P CA 1.720 64.789 63.100 -0.052 0.000 0.765 262 P CB -0.325 31.279 31.700 -0.160 0.000 0.783 263 A N -2.934 119.874 122.820 -0.020 0.000 1.968 263 A HA -0.080 nan 4.320 nan 0.000 0.217 263 A C 0.334 177.901 177.584 -0.028 0.000 1.169 263 A CA 1.021 53.030 52.037 -0.047 0.000 0.638 263 A CB 0.233 19.180 19.000 -0.087 0.000 0.812 263 A HN -0.313 7.733 8.150 -0.042 0.079 0.446 264 V N -0.618 119.309 119.914 0.021 0.000 2.509 264 V HA -0.246 nan 4.120 nan 0.000 0.297 264 V C 1.023 177.144 176.094 0.045 0.000 1.014 264 V CA 1.407 63.724 62.300 0.029 0.000 1.127 264 V CB -0.903 30.932 31.823 0.019 0.000 0.925 264 V HN -0.683 7.502 8.190 0.030 0.023 0.480 265 T N 6.487 120.996 114.554 -0.075 0.000 2.867 265 T HA -0.062 nan 4.350 nan 0.000 0.268 265 T C -0.431 174.173 174.700 -0.159 0.000 1.057 265 T CA 3.475 65.453 62.100 -0.202 0.000 1.136 265 T CB 0.569 69.199 68.868 -0.395 0.000 0.874 265 T HN 0.573 8.757 8.240 -0.093 0.000 0.466 266 G N -3.112 105.620 108.800 -0.113 0.000 2.632 266 G HA2 0.335 nan 3.960 nan 0.000 0.292 266 G HA3 0.335 nan 3.960 nan 0.000 0.292 266 G C -3.347 171.436 174.900 -0.194 0.000 1.465 266 G CA 0.595 45.623 45.100 -0.120 0.000 0.824 266 G HN -0.767 7.457 8.290 -0.109 0.000 0.509 267 V N -0.203 119.555 119.914 -0.260 0.000 2.443 267 V HA 0.718 nan 4.120 nan 0.000 0.293 267 V C -1.133 174.636 176.094 -0.541 0.000 1.021 267 V CA -1.854 60.173 62.300 -0.456 0.000 0.848 267 V CB 1.908 33.354 31.823 -0.628 0.000 0.998 267 V HN 0.799 8.767 8.190 -0.189 0.108 0.424 268 T N 3.877 118.131 114.554 -0.500 0.000 2.770 268 T HA 0.589 nan 4.350 nan 0.000 0.283 268 T C -0.524 173.920 174.700 -0.426 0.000 0.988 268 T CA -2.071 59.778 62.100 -0.419 0.000 0.957 268 T CB 0.637 69.323 68.868 -0.303 0.000 0.930 268 T HN 0.102 8.087 8.240 -0.424 0.000 0.443 269 F N 4.878 124.770 119.950 -0.097 0.000 2.378 269 F HA 0.322 nan 4.527 nan 0.000 0.319 269 F C -0.824 174.979 175.800 0.004 0.000 1.155 269 F CA -0.337 57.645 58.000 -0.030 0.000 1.157 269 F CB 1.809 40.829 39.000 0.032 0.000 1.252 269 F HN 0.321 8.547 8.300 -0.124 0.000 0.550 270 L N -2.378 119.054 121.223 0.347 0.000 2.331 270 L HA 0.278 nan 4.340 nan 0.000 0.268 270 L C 0.773 177.894 176.870 0.418 0.000 1.015 270 L CA -0.891 54.143 54.840 0.323 0.000 0.807 270 L CB 1.535 43.713 42.059 0.198 0.000 1.293 270 L HN -0.412 8.062 8.230 0.407 0.000 0.451 271 S N 2.009 117.919 115.700 0.349 0.000 2.339 271 S HA -0.093 nan 4.470 nan 0.000 0.213 271 S C 1.222 175.890 174.600 0.112 0.000 1.033 271 S CA 1.909 60.208 58.200 0.165 0.000 0.950 271 S CB 0.483 63.690 63.200 0.012 0.000 0.893 271 S HN 0.644 9.155 8.310 0.334 0.000 0.492 272 G N -0.469 108.397 108.800 0.110 0.000 2.303 272 G HA2 -0.187 nan 3.960 nan 0.000 0.260 272 G HA3 -0.187 nan 3.960 nan 0.000 0.260 272 G C 0.328 175.316 174.900 0.146 0.000 1.106 272 G CA -0.089 45.072 45.100 0.102 0.000 0.900 272 G HN 0.069 8.429 8.290 0.117 0.000 0.495 273 G N -3.382 105.488 108.800 0.116 0.000 2.347 273 G HA2 -0.292 nan 3.960 nan 0.000 0.247 273 G HA3 -0.292 nan 3.960 nan 0.000 0.247 273 G C -0.615 174.318 174.900 0.055 0.000 1.037 273 G CA -0.042 45.121 45.100 0.105 0.000 0.622 273 G HN 0.334 8.675 8.290 0.084 0.000 0.521 274 Q N 1.857 121.702 119.800 0.075 0.000 2.300 274 Q HA -0.108 nan 4.340 nan 0.000 0.280 274 Q C 0.179 176.156 176.000 -0.038 0.000 1.033 274 Q CA -0.419 55.402 55.803 0.031 0.000 0.903 274 Q CB 0.300 29.063 28.738 0.041 0.000 1.195 274 Q HN -0.310 7.915 8.270 0.105 0.107 0.386 275 S N 5.239 120.915 115.700 -0.039 0.000 2.554 275 S HA -0.172 nan 4.470 nan 0.000 0.290 275 S C 1.000 175.535 174.600 -0.109 0.000 1.309 275 S CA 0.729 58.892 58.200 -0.061 0.000 1.047 275 S CB 1.219 64.398 63.200 -0.035 0.000 0.828 275 S HN 0.192 8.576 8.310 -0.017 -0.084 0.509 276 E N 3.599 123.724 120.200 -0.125 0.000 2.160 276 E HA -0.465 nan 4.350 nan 0.000 0.195 276 E C 1.748 178.246 176.600 -0.171 0.000 0.991 276 E CA 3.337 59.622 56.400 -0.192 0.000 0.810 276 E CB -0.425 29.186 29.700 -0.149 0.000 0.742 276 E HN 0.539 8.844 8.360 -0.093 0.000 0.466 277 E N 0.333 120.480 120.200 -0.089 0.000 2.047 277 E HA -0.251 nan 4.350 nan 0.000 0.191 277 E C 1.922 178.487 176.600 -0.058 0.000 0.987 277 E CA 2.567 58.943 56.400 -0.039 0.000 0.799 277 E CB -0.665 29.040 29.700 0.008 0.000 0.752 277 E HN 0.167 8.465 8.360 -0.067 0.021 0.449 278 E N 0.005 120.163 120.200 -0.070 0.000 2.110 278 E HA -0.299 nan 4.350 nan 0.000 0.193 278 E C 2.111 178.619 176.600 -0.154 0.000 0.988 278 E CA 2.749 59.088 56.400 -0.101 0.000 0.804 278 E CB -0.128 29.563 29.700 -0.014 0.000 0.745 278 E HN -0.723 7.605 8.360 -0.053 0.000 0.458 279 A N -0.738 121.981 122.820 -0.168 0.000 1.933 279 A HA -0.253 nan 4.320 nan 0.000 0.218 279 A C 2.529 180.021 177.584 -0.153 0.000 1.175 279 A CA 3.321 55.234 52.037 -0.208 0.000 0.628 279 A CB -0.849 17.863 19.000 -0.479 0.000 0.814 279 A HN 0.423 8.470 8.150 -0.171 0.000 0.444 280 S N -0.667 114.916 115.700 -0.194 0.000 2.387 280 S HA -0.223 nan 4.470 nan 0.000 0.226 280 S C 2.232 176.788 174.600 -0.074 0.000 1.026 280 S CA 3.857 61.941 58.200 -0.193 0.000 0.972 280 S CB -0.130 62.857 63.200 -0.355 0.000 0.814 280 S HN -0.450 7.649 8.310 -0.218 0.080 0.477 281 I N 2.811 123.344 120.570 -0.063 0.000 2.202 281 I HA -0.546 nan 4.170 nan 0.000 0.242 281 I C 1.609 177.618 176.117 -0.180 0.000 1.091 281 I CA 4.151 65.394 61.300 -0.094 0.000 1.368 281 I CB -0.371 37.449 38.000 -0.301 0.000 1.058 281 I HN 0.293 8.360 8.210 -0.099 0.083 0.410 282 N N -0.244 118.301 118.700 -0.259 0.000 2.069 282 N HA -0.315 nan 4.740 nan 0.000 0.191 282 N C 2.293 177.749 175.510 -0.091 0.000 1.031 282 N CA 3.134 56.083 53.050 -0.168 0.000 0.852 282 N CB -0.470 37.938 38.487 -0.131 0.000 1.018 282 N HN -0.005 8.097 8.380 -0.286 0.107 0.423 283 L N 0.074 121.265 121.223 -0.052 0.000 2.013 283 L HA -0.380 nan 4.340 nan 0.000 0.212 283 L C 1.528 178.419 176.870 0.035 0.000 1.073 283 L CA 3.445 58.290 54.840 0.007 0.000 0.753 283 L CB -0.143 41.977 42.059 0.102 0.000 0.890 283 L HN -0.195 8.008 8.230 -0.045 0.000 0.432 284 N N -1.536 117.188 118.700 0.040 0.000 2.166 284 N HA -0.343 nan 4.740 nan 0.000 0.186 284 N C 2.096 177.646 175.510 0.067 0.000 1.019 284 N CA 3.047 56.147 53.050 0.083 0.000 0.856 284 N CB -0.074 38.510 38.487 0.162 0.000 0.993 284 N HN -0.245 8.148 8.380 0.020 0.000 0.426 285 A N -0.486 122.358 122.820 0.039 0.000 1.898 285 A HA -0.198 nan 4.320 nan 0.000 0.216 285 A C 2.783 180.392 177.584 0.043 0.000 1.181 285 A CA 2.676 54.740 52.037 0.045 0.000 0.620 285 A CB -0.549 18.480 19.000 0.050 0.000 0.819 285 A HN -0.402 7.648 8.150 0.014 0.108 0.442 286 I N -2.118 118.463 120.570 0.018 0.000 2.315 286 I HA -0.563 nan 4.170 nan 0.000 0.251 286 I C 0.988 177.162 176.117 0.095 0.000 1.125 286 I CA 3.767 65.084 61.300 0.029 0.000 1.392 286 I CB -0.436 37.528 38.000 -0.061 0.000 1.065 286 I HN 0.175 8.379 8.210 -0.012 0.000 0.424 287 N N -3.499 115.259 118.700 0.097 0.000 2.424 287 N HA -0.059 nan 4.740 nan 0.000 0.178 287 N C 0.824 176.385 175.510 0.084 0.000 1.060 287 N CA 1.769 54.885 53.050 0.109 0.000 0.901 287 N CB 0.338 38.893 38.487 0.112 0.000 0.979 287 N HN -0.625 7.676 8.380 0.081 0.128 0.451 288 K N -1.630 118.813 120.400 0.071 0.000 2.404 288 K HA 0.018 nan 4.320 nan 0.000 0.194 288 K C -0.106 176.526 176.600 0.054 0.000 1.023 288 K CA -1.178 55.144 56.287 0.058 0.000 1.094 288 K CB -0.198 32.334 32.500 0.053 0.000 0.841 288 K HN -0.537 7.574 8.250 0.070 0.181 0.523 289 C N 3.226 122.564 119.300 0.062 0.000 2.634 289 C HA 0.125 nan 4.460 nan 0.000 0.418 289 C C -0.440 174.581 174.990 0.051 0.000 1.373 289 C CA -1.190 57.863 59.018 0.059 0.000 1.756 289 C CB -0.207 27.577 27.740 0.074 0.000 2.589 289 C HN -0.439 7.772 8.230 0.071 0.061 0.602 290 P HA -0.136 nan 4.420 nan 0.000 0.222 290 P C -0.961 176.352 177.300 0.023 0.000 1.147 290 P CA 1.029 64.146 63.100 0.028 0.000 0.790 290 P CB 0.107 31.822 31.700 0.025 0.000 0.780 291 L N -1.983 119.261 121.223 0.034 0.000 2.483 291 L HA -0.124 nan 4.340 nan 0.000 0.276 291 L C -0.107 176.766 176.870 0.005 0.000 1.213 291 L CA -0.741 54.115 54.840 0.027 0.000 0.843 291 L CB 0.319 42.411 42.059 0.055 0.000 1.107 291 L HN -0.506 7.706 8.230 0.045 0.045 0.487 292 L N 1.510 122.712 121.223 -0.033 0.000 2.410 292 L HA -0.070 nan 4.340 nan 0.000 0.273 292 L C -0.893 175.873 176.870 -0.173 0.000 1.152 292 L CA 0.687 55.471 54.840 -0.092 0.000 0.855 292 L CB 0.349 42.342 42.059 -0.111 0.000 1.129 292 L HN 0.120 8.333 8.230 -0.028 0.000 0.463 293 K N 5.245 125.509 120.400 -0.227 0.000 2.572 293 K HA 0.351 nan 4.320 nan 0.000 0.244 293 K C -1.717 174.529 176.600 -0.590 0.000 0.965 293 K CA -2.075 53.946 56.287 -0.443 0.000 0.943 293 K CB 0.163 32.665 32.500 0.004 0.000 1.154 293 K HN 0.192 8.349 8.250 -0.156 0.000 0.447 294 P HA -0.088 nan 4.420 nan 0.000 0.229 294 P C -1.734 175.246 177.300 -0.534 0.000 1.160 294 P CA 0.799 63.445 63.100 -0.757 0.000 0.777 294 P CB 0.353 31.565 31.700 -0.813 0.000 0.814 295 W N -4.362 116.909 121.300 -0.048 0.000 2.689 295 W HA 0.153 nan 4.660 nan 0.000 0.340 295 W C -1.295 175.186 176.519 -0.064 0.000 1.060 295 W CA -2.636 54.665 57.345 -0.074 0.000 1.218 295 W CB 1.301 30.704 29.460 -0.095 0.000 1.410 295 W HN -0.760 6.783 8.180 -0.975 0.052 0.528 296 A N 1.225 124.160 122.820 0.191 0.000 2.498 296 A HA 0.129 nan 4.320 nan 0.000 0.239 296 A C -1.935 175.710 177.584 0.102 0.000 1.068 296 A CA 0.569 52.669 52.037 0.104 0.000 0.766 296 A CB 0.738 19.737 19.000 -0.001 0.000 1.003 296 A HN 0.630 8.853 8.150 0.121 0.000 0.497 297 L N 3.137 124.433 121.223 0.122 0.000 2.388 297 L HA 0.464 nan 4.340 nan 0.000 0.267 297 L C -0.945 176.011 176.870 0.143 0.000 0.995 297 L CA -0.802 54.117 54.840 0.131 0.000 0.864 297 L CB 0.345 42.600 42.059 0.327 0.000 1.216 297 L HN 0.416 8.725 8.230 0.132 0.000 0.430 298 T N 1.285 115.859 114.554 0.034 0.000 2.572 298 T HA 0.569 nan 4.350 nan 0.000 0.244 298 T C -2.052 172.699 174.700 0.084 0.000 0.860 298 T CA -2.017 60.133 62.100 0.083 0.000 1.125 298 T CB 3.001 71.810 68.868 -0.098 0.000 1.491 298 T HN 0.384 8.560 8.240 -0.107 0.000 0.532 299 F N -3.129 116.678 119.950 -0.239 0.000 2.618 299 F HA 1.032 nan 4.527 nan 0.000 0.332 299 F C -1.677 173.869 175.800 -0.425 0.000 1.061 299 F CA -3.160 54.526 58.000 -0.523 0.000 0.974 299 F CB 2.954 41.362 39.000 -0.988 0.000 1.310 299 F HN -0.122 7.943 8.300 -0.391 0.000 0.491 300 S N -0.591 114.875 115.700 -0.390 0.000 2.488 300 S HA 0.198 nan 4.470 nan 0.000 0.151 300 S C -1.654 172.974 174.600 0.047 0.000 1.401 300 S CA -0.165 57.934 58.200 -0.168 0.000 1.221 300 S CB 0.458 63.595 63.200 -0.104 0.000 1.407 300 S HN -0.042 7.931 8.310 -0.561 0.000 0.406 301 Y N 3.813 124.282 120.300 0.281 0.000 2.330 301 Y HA 0.127 nan 4.550 nan 0.000 0.336 301 Y C -0.703 175.290 175.900 0.156 0.000 1.036 301 Y CA -1.370 56.864 58.100 0.223 0.000 1.125 301 Y CB 2.406 41.010 38.460 0.240 0.000 1.194 301 Y HN 0.064 8.529 8.280 0.308 0.000 0.469 302 G N 1.955 110.929 108.800 0.289 0.000 2.613 302 G HA2 0.162 nan 3.960 nan 0.000 0.218 302 G HA3 0.162 nan 3.960 nan 0.000 0.218 302 G C 0.309 175.287 174.900 0.130 0.000 1.508 302 G CA 0.195 45.397 45.100 0.171 0.000 0.788 302 G HN 0.490 8.968 8.290 0.313 0.000 0.603 303 R N 2.384 122.944 120.500 0.100 0.000 2.083 303 R HA -0.277 nan 4.340 nan 0.000 0.237 303 R C 1.616 177.931 176.300 0.024 0.000 1.137 303 R CA 2.995 59.129 56.100 0.056 0.000 0.951 303 R CB -0.369 29.953 30.300 0.036 0.000 0.851 303 R HN 0.148 8.484 8.270 0.110 0.000 0.434 304 A N -2.653 120.154 122.820 -0.022 0.000 2.276 304 A HA -0.122 nan 4.320 nan 0.000 0.205 304 A C 0.315 177.869 177.584 -0.051 0.000 1.234 304 A CA 1.824 53.772 52.037 -0.148 0.000 0.797 304 A CB -0.932 17.755 19.000 -0.521 0.000 0.769 304 A HN 0.166 8.319 8.150 0.005 0.000 0.491 305 L N -5.883 115.382 121.223 0.071 0.000 3.066 305 L HA 0.093 nan 4.340 nan 0.000 0.272 305 L C 1.205 178.155 176.870 0.134 0.000 1.101 305 L CA 0.853 55.785 54.840 0.154 0.000 1.022 305 L CB 1.752 43.973 42.059 0.269 0.000 1.600 305 L HN -0.552 7.511 8.230 0.078 0.214 0.559 306 Q N -1.725 118.128 119.800 0.088 0.000 2.391 306 Q HA -0.018 nan 4.340 nan 0.000 0.211 306 Q C 1.703 177.761 176.000 0.096 0.000 0.908 306 Q CA 1.792 57.648 55.803 0.088 0.000 0.920 306 Q CB 1.138 29.959 28.738 0.137 0.000 1.056 306 Q HN -0.208 8.114 8.270 0.087 0.000 0.523 307 A N 1.590 124.449 122.820 0.065 0.000 1.877 307 A HA -0.483 nan 4.320 nan 0.000 0.218 307 A C 1.906 179.523 177.584 0.055 0.000 1.301 307 A CA 3.558 55.622 52.037 0.044 0.000 0.699 307 A CB -0.874 18.134 19.000 0.013 0.000 0.844 307 A HN 0.362 8.545 8.150 0.055 0.000 0.464 308 S N -1.271 114.459 115.700 0.050 0.000 2.368 308 S HA -0.368 nan 4.470 nan 0.000 0.225 308 S C 2.045 176.693 174.600 0.080 0.000 1.030 308 S CA 3.582 61.816 58.200 0.057 0.000 0.999 308 S CB -0.354 62.872 63.200 0.044 0.000 0.844 308 S HN -0.490 8.034 8.310 0.039 -0.190 0.459 309 A N 1.256 124.130 122.820 0.089 0.000 1.892 309 A HA -0.204 nan 4.320 nan 0.000 0.218 309 A C 2.574 180.223 177.584 0.108 0.000 1.188 309 A CA 2.638 54.729 52.037 0.090 0.000 0.631 309 A CB -0.730 18.320 19.000 0.082 0.000 0.822 309 A HN -0.214 7.989 8.150 0.089 0.000 0.447 310 L N -1.678 119.632 121.223 0.145 0.000 2.056 310 L HA -0.215 nan 4.340 nan 0.000 0.207 310 L C 1.900 178.889 176.870 0.199 0.000 1.078 310 L CA 2.570 57.528 54.840 0.197 0.000 0.749 310 L CB -0.153 41.992 42.059 0.143 0.000 0.901 310 L HN 0.234 8.544 8.230 0.133 0.000 0.433 311 K N -1.095 119.383 120.400 0.131 0.000 2.281 311 K HA -0.286 nan 4.320 nan 0.000 0.203 311 K C 0.682 177.362 176.600 0.133 0.000 1.046 311 K CA 1.938 58.291 56.287 0.109 0.000 0.938 311 K CB -0.391 32.152 32.500 0.071 0.000 0.737 311 K HN -0.097 8.151 8.250 0.108 0.066 0.458 312 A N -2.703 120.211 122.820 0.157 0.000 2.842 312 A HA 0.063 nan 4.320 nan 0.000 0.298 312 A C -1.462 176.280 177.584 0.264 0.000 1.293 312 A CA -0.801 51.334 52.037 0.164 0.000 0.959 312 A CB 0.151 19.223 19.000 0.120 0.000 1.119 312 A HN -0.470 7.553 8.150 0.152 0.219 0.564 313 W N -0.424 120.910 121.300 0.056 0.000 2.606 313 W HA 0.116 nan 4.660 nan 0.000 0.332 313 W C -1.280 175.259 176.519 0.034 0.000 1.052 313 W CA -1.337 56.046 57.345 0.062 0.000 1.223 313 W CB 2.445 31.951 29.460 0.077 0.000 1.383 313 W HN -0.514 7.710 8.180 0.332 0.155 0.524 314 G N 3.330 112.191 108.800 0.102 0.000 2.759 314 G HA2 0.174 nan 3.960 nan 0.000 0.197 314 G HA3 0.174 nan 3.960 nan 0.000 0.197 314 G C -1.894 172.821 174.900 -0.310 0.000 1.067 314 G CA 0.309 45.355 45.100 -0.090 0.000 0.742 314 G HN -0.313 8.263 8.290 0.371 -0.063 0.651 315 G N -0.323 108.233 108.800 -0.407 0.000 4.302 315 G HA2 -0.077 nan 3.960 nan 0.000 0.137 315 G HA3 -0.077 nan 3.960 nan 0.000 0.137 315 G C -0.713 174.003 174.900 -0.307 0.000 1.147 315 G CA 0.226 45.049 45.100 -0.461 0.000 1.041 315 G HN -0.489 7.694 8.290 -0.180 0.000 0.344 316 K N 0.437 120.793 120.400 -0.074 0.000 2.522 316 K HA 0.268 nan 4.320 nan 0.000 0.258 316 K C 0.938 177.656 176.600 0.197 0.000 0.981 316 K CA -0.611 55.650 56.287 -0.044 0.000 1.491 316 K CB 0.768 33.222 32.500 -0.076 0.000 2.722 316 K HN -0.491 7.728 8.250 -0.052 0.000 0.934 317 K N -1.775 118.733 120.400 0.179 0.000 2.525 317 K HA -0.091 nan 4.320 nan 0.000 0.192 317 K C 0.257 176.982 176.600 0.208 0.000 1.029 317 K CA 2.105 58.560 56.287 0.279 0.000 1.029 317 K CB -0.470 32.165 32.500 0.226 0.000 0.814 317 K HN 0.311 8.620 8.250 0.099 0.000 0.503 318 E N -1.515 118.791 120.200 0.178 0.000 2.047 318 E HA -0.135 nan 4.350 nan 0.000 0.191 318 E C 1.275 177.972 176.600 0.161 0.000 0.987 318 E CA 2.070 58.553 56.400 0.139 0.000 0.799 318 E CB -0.216 29.547 29.700 0.106 0.000 0.752 318 E HN 0.174 8.553 8.360 0.175 0.086 0.449 319 N N -1.344 117.496 118.700 0.234 0.000 2.398 319 N HA -0.031 nan 4.740 nan 0.000 0.188 319 N C 0.345 175.950 175.510 0.159 0.000 1.122 319 N CA 0.229 53.413 53.050 0.222 0.000 0.866 319 N CB 0.266 38.962 38.487 0.348 0.000 0.970 319 N HN -0.552 8.009 8.380 0.302 0.000 0.462 320 L N -1.833 119.501 121.223 0.185 0.000 2.919 320 L HA -0.122 nan 4.340 nan 0.000 0.242 320 L C -0.929 175.975 176.870 0.057 0.000 1.366 320 L CA 0.934 55.846 54.840 0.119 0.000 1.212 320 L CB -2.053 40.148 42.059 0.237 0.000 1.604 320 L HN -0.125 8.022 8.230 0.229 0.220 0.433 321 K N -1.971 118.458 120.400 0.048 0.000 2.954 321 K HA -0.033 nan 4.320 nan 0.000 0.181 321 K C 0.160 176.782 176.600 0.038 0.000 2.022 321 K CA 1.328 57.636 56.287 0.035 0.000 1.440 321 K CB 1.522 34.049 32.500 0.045 0.000 2.298 321 K HN 0.108 8.265 8.250 0.060 0.128 0.597 322 A N 0.222 123.075 122.820 0.055 0.000 1.845 322 A HA -0.162 nan 4.320 nan 0.000 0.215 322 A C 1.675 179.290 177.584 0.052 0.000 1.195 322 A CA 3.099 55.171 52.037 0.058 0.000 0.616 322 A CB -0.483 18.564 19.000 0.079 0.000 0.832 322 A HN 0.109 8.301 8.150 0.070 0.000 0.443 323 A N -2.265 120.583 122.820 0.047 0.000 1.865 323 A HA -0.418 nan 4.320 nan 0.000 0.217 323 A C 2.153 179.758 177.584 0.034 0.000 1.191 323 A CA 2.901 54.954 52.037 0.027 0.000 0.623 323 A CB -0.981 17.990 19.000 -0.048 0.000 0.826 323 A HN -0.012 8.068 8.150 0.057 0.105 0.444 324 Q N -1.220 118.589 119.800 0.016 0.000 1.998 324 Q HA -0.502 nan 4.340 nan 0.000 0.209 324 Q C 2.762 178.814 176.000 0.088 0.000 1.002 324 Q CA 3.169 59.012 55.803 0.066 0.000 0.858 324 Q CB -0.317 28.432 28.738 0.019 0.000 0.932 324 Q HN 0.082 8.345 8.270 -0.011 0.000 0.416 325 E N -2.361 117.860 120.200 0.034 0.000 2.233 325 E HA -0.394 nan 4.350 nan 0.000 0.199 325 E C 2.415 179.019 176.600 0.007 0.000 1.004 325 E CA 3.092 59.496 56.400 0.006 0.000 0.819 325 E CB -0.785 28.919 29.700 0.007 0.000 0.738 325 E HN -0.431 7.946 8.360 0.028 0.000 0.478 326 E N 0.107 120.334 120.200 0.044 0.000 2.017 326 E HA -0.282 nan 4.350 nan 0.000 0.193 326 E C 1.960 178.598 176.600 0.063 0.000 0.997 326 E CA 2.697 59.128 56.400 0.051 0.000 0.804 326 E CB -0.474 29.268 29.700 0.070 0.000 0.757 326 E HN -0.606 7.651 8.360 0.054 0.136 0.448 327 Y N -0.754 119.530 120.300 -0.027 0.000 2.274 327 Y HA -0.374 nan 4.550 nan 0.000 0.290 327 Y C 1.972 177.856 175.900 -0.027 0.000 1.145 327 Y CA 3.151 61.233 58.100 -0.031 0.000 1.203 327 Y CB 0.076 38.504 38.460 -0.052 0.000 0.984 327 Y HN -0.562 7.849 8.280 0.219 0.000 0.533 328 V N 0.602 120.277 119.914 -0.398 0.000 2.261 328 V HA -0.592 nan 4.120 nan 0.000 0.246 328 V C 1.960 177.893 176.094 -0.269 0.000 1.047 328 V CA 4.704 66.730 62.300 -0.456 0.000 1.015 328 V CB -1.112 30.578 31.823 -0.223 0.000 0.642 328 V HN 0.286 8.302 8.190 -0.123 0.100 0.446 329 K N -1.059 119.256 120.400 -0.143 0.000 2.074 329 K HA -0.433 nan 4.320 nan 0.000 0.209 329 K C 2.419 178.955 176.600 -0.107 0.000 1.048 329 K CA 3.732 59.966 56.287 -0.088 0.000 0.926 329 K CB -0.374 32.104 32.500 -0.037 0.000 0.713 329 K HN 0.067 8.147 8.250 -0.106 0.106 0.444 330 R N -1.668 118.764 120.500 -0.114 0.000 2.120 330 R HA -0.256 nan 4.340 nan 0.000 0.234 330 R C 2.131 178.323 176.300 -0.179 0.000 1.123 330 R CA 2.357 58.383 56.100 -0.122 0.000 0.975 330 R CB -0.666 29.606 30.300 -0.047 0.000 0.866 330 R HN -0.510 7.623 8.270 -0.097 0.078 0.446 331 A N -0.063 122.631 122.820 -0.211 0.000 1.898 331 A HA -0.161 nan 4.320 nan 0.000 0.216 331 A C 2.242 179.740 177.584 -0.144 0.000 1.181 331 A CA 2.998 54.935 52.037 -0.168 0.000 0.620 331 A CB -0.819 18.019 19.000 -0.270 0.000 0.819 331 A HN -0.178 7.682 8.150 -0.284 0.120 0.442 332 L N -2.647 118.490 121.223 -0.143 0.000 2.131 332 L HA -0.404 nan 4.340 nan 0.000 0.210 332 L C 2.449 179.253 176.870 -0.109 0.000 1.092 332 L CA 2.772 57.557 54.840 -0.091 0.000 0.759 332 L CB -0.454 41.565 42.059 -0.065 0.000 0.903 332 L HN 0.124 8.252 8.230 -0.170 0.000 0.435 333 A N -0.907 121.797 122.820 -0.192 0.000 1.872 333 A HA -0.274 nan 4.320 nan 0.000 0.214 333 A C 1.945 179.157 177.584 -0.621 0.000 1.187 333 A CA 3.133 54.940 52.037 -0.384 0.000 0.614 333 A CB -0.628 18.122 19.000 -0.417 0.000 0.826 333 A HN 0.006 7.924 8.150 -0.185 0.121 0.442 334 N N -1.821 116.550 118.700 -0.548 0.000 2.309 334 N HA -0.239 nan 4.740 nan 0.000 0.182 334 N C 2.256 177.517 175.510 -0.416 0.000 1.018 334 N CA 2.653 55.297 53.050 -0.676 0.000 0.876 334 N CB -0.455 37.319 38.487 -1.189 0.000 0.972 334 N HN -0.344 7.761 8.380 -0.458 0.000 0.434 335 S N 0.557 116.153 115.700 -0.175 0.000 2.383 335 S HA -0.206 nan 4.470 nan 0.000 0.227 335 S C 1.131 175.750 174.600 0.032 0.000 1.026 335 S CA 2.765 61.003 58.200 0.064 0.000 0.981 335 S CB -0.010 63.230 63.200 0.068 0.000 0.818 335 S HN -0.299 7.868 8.310 -0.204 0.021 0.472 336 L N -1.752 119.457 121.223 -0.022 0.000 2.072 336 L HA -0.180 nan 4.340 nan 0.000 0.205 336 L C 1.378 178.285 176.870 0.062 0.000 1.079 336 L CA 2.258 57.129 54.840 0.051 0.000 0.752 336 L CB 0.080 42.225 42.059 0.142 0.000 0.906 336 L HN -0.875 7.206 8.230 -0.088 0.096 0.436 337 A N -0.315 122.482 122.820 -0.038 0.000 1.908 337 A HA -0.297 nan 4.320 nan 0.000 0.218 337 A C 2.174 179.797 177.584 0.065 0.000 1.181 337 A CA 3.156 55.194 52.037 0.003 0.000 0.627 337 A CB -0.976 17.933 19.000 -0.152 0.000 0.818 337 A HN -0.052 7.908 8.150 -0.200 0.071 0.445 338 C N -5.427 113.925 119.300 0.086 0.000 2.443 338 C HA -0.124 nan 4.460 nan 0.000 0.290 338 C C 1.050 176.108 174.990 0.114 0.000 1.476 338 C CA 0.545 59.651 59.018 0.147 0.000 1.772 338 C CB -1.798 26.073 27.740 0.218 0.000 1.714 338 C HN -0.366 7.898 8.230 0.057 0.000 0.562 339 Q N -0.990 118.867 119.800 0.094 0.000 2.189 339 Q HA 0.064 nan 4.340 nan 0.000 0.223 339 Q C 0.661 176.707 176.000 0.077 0.000 0.828 339 Q CA -1.227 54.624 55.803 0.080 0.000 0.967 339 Q CB 1.321 30.100 28.738 0.069 0.000 1.139 339 Q HN -0.387 7.725 8.270 0.088 0.211 0.497 340 G N -0.584 108.270 108.800 0.089 0.000 2.179 340 G HA2 -0.349 nan 3.960 nan 0.000 0.257 340 G HA3 -0.349 nan 3.960 nan 0.000 0.257 340 G C -0.156 174.793 174.900 0.081 0.000 1.010 340 G CA 1.274 46.424 45.100 0.084 0.000 0.736 340 G HN -0.033 8.192 8.290 0.096 0.123 0.513 341 K N -2.034 118.425 120.400 0.098 0.000 2.414 341 K HA 0.080 nan 4.320 nan 0.000 0.204 341 K C -1.175 175.508 176.600 0.138 0.000 1.026 341 K CA -1.150 55.191 56.287 0.091 0.000 1.108 341 K CB 1.060 33.606 32.500 0.076 0.000 0.855 341 K HN -0.362 7.914 8.250 0.107 0.038 0.517 342 Y N 2.498 122.797 120.300 -0.001 0.000 2.556 342 Y HA -0.076 nan 4.550 nan 0.000 0.352 342 Y C -0.650 175.243 175.900 -0.011 0.000 1.006 342 Y CA -1.145 56.947 58.100 -0.013 0.000 1.277 342 Y CB -0.373 38.072 38.460 -0.025 0.000 1.136 342 Y HN -0.379 8.260 8.280 0.219 -0.228 0.523 343 T N 5.700 120.071 114.554 -0.306 0.000 2.908 343 T HA 0.019 nan 4.350 nan 0.000 0.301 343 T C -1.541 172.797 174.700 -0.604 0.000 1.019 343 T CA -2.426 59.478 62.100 -0.327 0.000 1.152 343 T CB -1.032 67.708 68.868 -0.214 0.000 0.966 343 T HN -0.112 8.034 8.240 -0.156 0.000 0.540 344 P HA -0.287 nan 4.420 nan 0.000 0.222 344 P C -1.012 176.078 177.300 -0.350 0.000 1.155 344 P CA 1.080 64.007 63.100 -0.288 0.000 0.890 344 P CB 0.100 31.720 31.700 -0.132 0.000 0.790 345 S N -3.184 112.328 115.700 -0.312 0.000 3.341 345 S HA -0.239 nan 4.470 nan 0.000 0.414 345 S C -0.269 174.272 174.600 -0.098 0.000 0.869 345 S CA -0.575 57.500 58.200 -0.208 0.000 1.349 345 S CB -0.121 62.922 63.200 -0.262 0.000 0.938 345 S HN -0.300 7.813 8.310 -0.284 0.027 0.615 346 G N -0.115 108.646 108.800 -0.064 0.000 2.150 346 G HA2 -0.183 nan 3.960 nan 0.000 0.250 346 G HA3 -0.183 nan 3.960 nan 0.000 0.250 346 G C -0.127 174.769 174.900 -0.006 0.000 1.179 346 G CA -0.286 44.799 45.100 -0.025 0.000 0.934 346 G HN -0.176 8.070 8.290 -0.072 0.000 0.453 347 Q N 3.891 123.697 119.800 0.010 0.000 2.912 347 Q HA -0.163 nan 4.340 nan 0.000 0.231 347 Q C -0.411 175.599 176.000 0.016 0.000 1.304 347 Q CA -0.035 55.780 55.803 0.019 0.000 0.894 347 Q CB -2.082 26.673 28.738 0.028 0.000 1.757 347 Q HN 0.352 8.631 8.270 0.015 0.000 0.521 348 A N 4.365 127.191 122.820 0.010 0.000 3.260 348 A HA 0.251 nan 4.320 nan 0.000 0.268 348 A C -0.929 176.663 177.584 0.013 0.000 1.491 348 A CA -0.250 51.792 52.037 0.010 0.000 1.181 348 A CB -1.427 17.576 19.000 0.004 0.000 1.137 348 A HN 0.384 8.497 8.150 0.007 0.042 0.642 349 G N -0.250 108.560 108.800 0.017 0.000 3.086 349 G HA2 0.246 nan 3.960 nan 0.000 0.282 349 G HA3 0.246 nan 3.960 nan 0.000 0.282 349 G C -0.878 174.035 174.900 0.022 0.000 1.343 349 G CA -0.217 44.895 45.100 0.019 0.000 0.895 349 G HN -0.608 7.635 8.290 0.018 0.058 0.557 350 A N -0.550 122.284 122.820 0.025 0.000 2.325 350 A HA 0.115 nan 4.320 nan 0.000 0.260 350 A C 0.039 177.641 177.584 0.031 0.000 1.133 350 A CA -0.287 51.767 52.037 0.029 0.000 0.801 350 A CB 0.549 19.569 19.000 0.032 0.000 1.092 350 A HN -0.231 7.934 8.150 0.025 0.000 0.504 351 A N -1.324 121.519 122.820 0.038 0.000 2.429 351 A HA 0.031 nan 4.320 nan 0.000 0.242 351 A C -0.314 177.284 177.584 0.022 0.000 1.088 351 A CA -0.252 51.809 52.037 0.040 0.000 0.784 351 A CB 0.406 19.446 19.000 0.066 0.000 1.038 351 A HN 0.099 8.275 8.150 0.042 0.000 0.501 352 A N 0.662 123.487 122.820 0.009 0.000 2.448 352 A HA 0.084 nan 4.320 nan 0.000 0.239 352 A C -0.601 176.968 177.584 -0.026 0.000 1.080 352 A CA 0.156 52.185 52.037 -0.013 0.000 0.779 352 A CB 0.452 19.434 19.000 -0.030 0.000 1.026 352 A HN 0.099 8.258 8.150 0.016 0.000 0.499 353 S N 0.024 115.708 115.700 -0.027 0.000 2.733 353 S HA 0.204 nan 4.470 nan 0.000 0.307 353 S C -0.896 173.683 174.600 -0.035 0.000 1.127 353 S CA -0.522 57.663 58.200 -0.025 0.000 1.097 353 S CB 1.472 64.675 63.200 0.005 0.000 1.003 353 S HN 0.297 8.592 8.310 -0.025 0.000 0.477 354 E N 4.953 125.115 120.200 -0.063 0.000 3.423 354 E HA 0.053 nan 4.350 nan 0.000 0.222 354 E C -1.000 175.555 176.600 -0.075 0.000 1.236 354 E CA 0.540 56.904 56.400 -0.061 0.000 1.137 354 E CB 1.189 30.843 29.700 -0.077 0.000 3.049 354 E HN 0.313 8.617 8.360 -0.094 0.000 0.608 355 S N 1.230 116.856 115.700 -0.124 0.000 2.328 355 S HA 0.196 nan 4.470 nan 0.000 0.204 355 S C -0.887 173.573 174.600 -0.233 0.000 1.475 355 S CA -0.721 57.401 58.200 -0.129 0.000 1.148 355 S CB -0.971 62.161 63.200 -0.113 0.000 1.077 355 S HN -0.003 8.211 8.310 -0.161 0.000 0.479 356 L N 4.793 125.907 121.223 -0.181 0.000 2.278 356 L HA 0.218 nan 4.340 nan 0.000 0.287 356 L C 0.983 177.852 176.870 -0.001 0.000 1.072 356 L CA -0.271 54.420 54.840 -0.249 0.000 0.819 356 L CB 0.442 42.446 42.059 -0.091 0.000 1.176 356 L HN 0.381 8.554 8.230 -0.095 0.000 0.435 357 F N 3.453 123.394 119.950 -0.015 0.000 2.615 357 F HA -0.202 nan 4.527 nan 0.000 0.291 357 F C 0.199 175.985 175.800 -0.023 0.000 1.292 357 F CA -2.079 55.908 58.000 -0.020 0.000 1.486 357 F CB -2.775 36.211 39.000 -0.024 0.000 1.121 357 F HN 0.610 8.354 8.300 -0.926 0.000 0.618 358 I N 3.085 123.805 120.570 0.251 0.000 2.270 358 I HA -0.062 nan 4.170 nan 0.000 0.294 358 I C -0.965 175.191 176.117 0.065 0.000 1.164 358 I CA -0.046 61.320 61.300 0.110 0.000 1.680 358 I CB -1.762 36.289 38.000 0.085 0.000 1.494 358 I HN -0.269 7.994 8.210 0.221 0.079 0.767 359 S N 6.664 122.390 115.700 0.044 0.000 2.669 359 S HA 0.186 nan 4.470 nan 0.000 0.315 359 S C -1.379 173.170 174.600 -0.086 0.000 1.106 359 S CA -0.374 57.822 58.200 -0.008 0.000 1.107 359 S CB 0.033 63.238 63.200 0.009 0.000 0.990 359 S HN 0.059 8.353 8.310 0.055 0.049 0.471 360 N N 6.014 124.629 118.700 -0.142 0.000 2.687 360 N HA 0.151 nan 4.740 nan 0.000 0.181 360 N C -1.617 173.675 175.510 -0.364 0.000 1.782 360 N CA 0.052 52.971 53.050 -0.219 0.000 1.256 360 N CB 1.129 39.558 38.487 -0.096 0.000 2.068 360 N HN 0.409 8.739 8.380 -0.084 0.000 0.467 361 H N -0.382 118.693 119.070 0.008 0.000 3.059 361 H HA 0.267 nan 4.556 nan 0.000 0.302 361 H C -0.992 174.351 175.328 0.025 0.000 1.264 361 H CA -0.817 55.243 56.048 0.019 0.000 1.615 361 H CB 0.063 29.835 29.762 0.018 0.000 1.795 361 H HN 0.140 8.430 8.280 0.017 0.000 0.556 362 A N 3.461 126.383 122.820 0.170 0.000 2.644 362 A HA -0.236 nan 4.320 nan 0.000 0.230 362 A C -0.385 177.302 177.584 0.171 0.000 1.080 362 A CA 0.495 52.599 52.037 0.111 0.000 0.773 362 A CB 0.066 19.159 19.000 0.155 0.000 1.007 362 A HN 0.424 8.691 8.150 0.195 0.000 0.512 363 Y N 0.000 120.318 120.300 0.029 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 58.110 58.100 0.017 0.000 1.940 363 Y CB 0.000 38.466 38.460 0.010 0.000 1.050 363 Y HN 0.000 8.132 8.280 -0.246 0.000 0.758