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 2exr_1_A DATA FIRST_RESID 34 DATA SEQUENCE LNIQGEILCG GAAADIAGRD FGGXNCVKPL AVVRPVGPED IAGAVKAALR DATA SEQUENCE SDKLTVAARG NGHSINGQAX AEGGLVVDXS TTAENHFEVG YLSGGDATAF DATA SEQUENCE VDVSGGALWE DVLKRCVSEY GLAPRSWTDY LGLTVGGTLS NAGVSGQAFR DATA SEQUENCE YGPQTSNVTE LDVVTGNGDV VTCSEIENSE LFFSVLGGLG QFGIITRARV DATA SEQUENCE LLQPAPDXVR WIRVVYTEFD EFTQDAEWLV SQKNESSFDY VEGFVFVNGA DATA SEQUENCE DPVNGWPTVP LHPDHEFDPT RLPQSCGSVL YCLELGLHYR DSDSNSTIDK DATA SEQUENCE RVERLIGRLR FNEGLRFEVD LPYVDFLLRV KRSEEIAKEN GTWETPHPWL DATA SEQUENCE NLFVSKRDIG DFNRTVFKEL VKNGVNGPXL VYPLLRSRWD DRTSVVIPEE DATA SEQUENCE GEIFYIVALL RFVPPCAKVS SVEKXVAQNQ EIVHWCVKNG IDYKLYLPHY DATA SEQUENCE KSQEEWIRHF GNRWSRFVDR KAXFDPXAIL SPGQKIFNRS L 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.872 176.870 0.004 0.000 1.165 34 L CA 0.000 54.842 54.840 0.004 0.000 0.813 34 L CB 0.000 42.062 42.059 0.005 0.000 0.961 35 N N 3.305 122.007 118.700 0.003 0.000 2.420 35 N HA 0.796 5.536 4.740 0.000 0.000 0.249 35 N C -0.791 174.721 175.510 0.003 0.000 1.033 35 N CA -0.375 52.676 53.050 0.003 0.000 0.944 35 N CB 0.794 39.283 38.487 0.002 0.000 1.113 35 N HN 0.791 nan 8.380 nan 0.000 0.502 36 I N -0.565 120.006 120.570 0.003 0.000 3.074 36 I HA 0.393 4.563 4.170 0.000 0.000 0.310 36 I C 0.830 176.948 176.117 0.002 0.000 1.153 36 I CA -0.904 60.398 61.300 0.003 0.000 0.993 36 I CB 2.207 40.210 38.000 0.004 0.000 1.237 36 I HN 0.418 nan 8.210 nan 0.000 0.443 37 Q N 2.325 122.126 119.800 0.002 0.000 2.137 37 Q HA 0.159 4.499 4.340 0.000 0.000 0.198 37 Q C 1.110 177.110 176.000 0.001 0.000 0.960 37 Q CA 1.175 56.979 55.803 0.000 0.000 0.847 37 Q CB 0.024 28.762 28.738 -0.001 0.000 0.915 37 Q HN 0.990 nan 8.270 nan 0.000 0.448 38 G N 0.532 109.334 108.800 0.002 0.000 2.570 38 G HA2 0.152 4.112 3.960 0.000 0.000 0.276 38 G HA3 0.152 4.112 3.960 0.000 0.000 0.276 38 G C -0.954 173.948 174.900 0.004 0.000 1.346 38 G CA -0.538 44.563 45.100 0.003 0.000 1.034 38 G HN 0.365 nan 8.290 nan 0.000 0.512 39 E N -1.205 118.998 120.200 0.005 0.000 2.242 39 E HA 0.504 4.854 4.350 0.000 0.000 0.275 39 E C -0.729 175.876 176.600 0.007 0.000 1.002 39 E CA -0.315 56.089 56.400 0.006 0.000 0.841 39 E CB 2.280 31.984 29.700 0.006 0.000 1.109 39 E HN 0.248 nan 8.360 nan 0.000 0.394 40 I N 2.744 123.318 120.570 0.007 0.000 2.378 40 I HA 0.243 4.413 4.170 0.000 0.000 0.291 40 I C -1.164 174.957 176.117 0.007 0.000 0.992 40 I CA -0.752 60.552 61.300 0.007 0.000 1.154 40 I CB 0.822 38.826 38.000 0.006 0.000 1.315 40 I HN 0.233 nan 8.210 nan 0.000 0.448 41 L N 6.598 127.826 121.223 0.008 0.000 2.356 41 L HA 0.488 4.828 4.340 0.000 0.000 0.277 41 L C -0.880 175.994 176.870 0.007 0.000 0.996 41 L CA -0.129 54.716 54.840 0.008 0.000 0.822 41 L CB 1.666 43.730 42.059 0.009 0.000 1.256 41 L HN 0.566 nan 8.230 nan 0.000 0.413 42 C N 2.742 122.046 119.300 0.007 0.000 2.303 42 C HA 0.870 5.330 4.460 0.000 0.000 0.326 42 C C 1.047 176.040 174.990 0.006 0.000 1.285 42 C CA -0.192 58.830 59.018 0.006 0.000 1.675 42 C CB 0.126 27.870 27.740 0.006 0.000 2.289 42 C HN 1.109 nan 8.230 nan 0.000 0.512 43 G N 2.917 111.721 108.800 0.005 0.000 2.692 43 G HA2 0.370 4.330 3.960 0.000 0.000 0.248 43 G HA3 0.370 4.330 3.960 0.000 0.000 0.248 43 G C 0.417 175.320 174.900 0.004 0.000 1.340 43 G CA -0.072 45.030 45.100 0.004 0.000 0.896 43 G HN 2.569 nan 8.290 nan 0.000 0.570 44 G N -1.927 106.875 108.800 0.003 0.000 2.562 44 G HA2 0.253 4.213 3.960 0.000 0.000 0.250 44 G HA3 0.253 4.213 3.960 0.000 0.000 0.250 44 G C 1.486 176.388 174.900 0.004 0.000 1.269 44 G CA 2.136 47.238 45.100 0.004 0.000 0.919 44 G HN 2.502 nan 8.290 nan 0.000 0.574 45 A N -0.814 122.009 122.820 0.006 0.000 1.969 45 A HA 0.379 4.699 4.320 0.000 0.000 0.218 45 A C 2.989 180.578 177.584 0.008 0.000 1.169 45 A CA 3.291 55.332 52.037 0.007 0.000 0.635 45 A CB -0.996 18.010 19.000 0.009 0.000 0.810 45 A HN 2.379 nan 8.150 nan 0.000 0.445 46 A N 0.115 122.941 122.820 0.009 0.000 1.883 46 A HA 0.097 4.417 4.320 0.000 0.000 0.217 46 A C 2.511 180.100 177.584 0.008 0.000 1.186 46 A CA 2.254 54.297 52.037 0.010 0.000 0.624 46 A CB -1.054 17.952 19.000 0.010 0.000 0.822 46 A HN 1.058 nan 8.150 nan 0.000 0.444 47 A N -0.410 122.414 122.820 0.006 0.000 1.930 47 A HA -0.139 4.181 4.320 0.000 0.000 0.217 47 A C 1.784 179.368 177.584 0.000 0.000 1.175 47 A CA 1.875 53.914 52.037 0.004 0.000 0.627 47 A CB -0.607 18.395 19.000 0.003 0.000 0.815 47 A HN 0.447 nan 8.150 nan 0.000 0.443 48 D N 0.144 120.543 120.400 -0.001 0.000 2.104 48 D HA -0.149 4.491 4.640 0.000 0.000 0.194 48 D C 1.784 178.080 176.300 -0.008 0.000 0.994 48 D CA 1.361 55.358 54.000 -0.006 0.000 0.830 48 D CB -0.305 40.492 40.800 -0.005 0.000 0.959 48 D HN 0.519 nan 8.370 nan 0.000 0.452 49 I N 0.712 121.282 120.570 -0.001 0.000 2.252 49 I HA -0.216 3.954 4.170 0.000 0.000 0.245 49 I C 2.288 178.404 176.117 -0.001 0.000 1.102 49 I CA 1.039 62.340 61.300 0.001 0.000 1.385 49 I CB -0.182 37.825 38.000 0.012 0.000 1.064 49 I HN -0.075 nan 8.210 nan 0.000 0.414 50 A N 0.443 123.265 122.820 0.003 0.000 2.172 50 A HA -0.016 4.304 4.320 0.000 0.000 0.216 50 A C 2.084 179.666 177.584 -0.003 0.000 1.154 50 A CA 1.480 53.520 52.037 0.004 0.000 0.701 50 A CB -0.944 18.062 19.000 0.009 0.000 0.789 50 A HN 0.490 nan 8.150 nan 0.000 0.465 51 G N -1.024 107.770 108.800 -0.010 0.000 3.337 51 G HA2 0.354 4.314 3.960 0.000 0.000 0.246 51 G HA3 0.354 4.314 3.960 0.000 0.000 0.246 51 G C 0.502 175.383 174.900 -0.033 0.000 1.131 51 G CA -0.442 44.648 45.100 -0.017 0.000 0.773 51 G HN 0.371 nan 8.290 nan 0.000 0.544 52 R N 0.290 120.768 120.500 -0.038 0.000 2.750 52 R HA 0.545 4.885 4.340 0.000 0.000 0.281 52 R C -1.356 174.902 176.300 -0.070 0.000 0.972 52 R CA -0.684 55.379 56.100 -0.062 0.000 0.912 52 R CB 1.970 32.234 30.300 -0.061 0.000 1.187 52 R HN 0.317 nan 8.270 nan 0.000 0.464 53 D N 0.119 120.456 120.400 -0.105 0.000 2.652 53 D HA 0.060 4.700 4.640 0.000 0.000 0.285 53 D C 0.086 176.281 176.300 -0.174 0.000 1.173 53 D CA -0.800 53.131 54.000 -0.115 0.000 0.981 53 D CB 0.107 40.851 40.800 -0.094 0.000 1.440 53 D HN 0.340 nan 8.370 nan 0.000 0.485 54 F N 0.659 120.364 119.950 -0.407 0.000 2.269 54 F HA 0.117 4.644 4.527 0.000 0.000 0.301 54 F C 2.149 177.689 175.800 -0.433 0.000 1.082 54 F CA 2.103 59.770 58.000 -0.555 0.000 1.360 54 F CB -0.310 38.154 39.000 -0.894 0.000 1.041 54 F HN 0.504 nan 8.300 nan 0.000 0.512 55 G N 0.011 108.622 108.800 -0.314 0.000 2.469 55 G HA2 0.085 4.045 3.960 0.000 0.000 0.219 55 G HA3 0.085 4.045 3.960 0.000 0.000 0.219 55 G C 1.113 175.777 174.900 -0.393 0.000 1.150 55 G CA 0.803 45.693 45.100 -0.350 0.000 0.763 55 G HN 0.950 nan 8.290 nan 0.000 0.561 59 C N 3.153 122.426 119.300 -0.045 0.000 2.356 59 C HA 0.771 5.231 4.460 0.000 0.000 0.324 59 C C -1.173 173.805 174.990 -0.021 0.000 1.167 59 C CA -0.180 58.816 59.018 -0.037 0.000 1.420 59 C CB -0.492 27.225 27.740 -0.039 0.000 2.036 59 C HN 0.534 nan 8.230 nan 0.000 0.435 60 V N 7.910 127.815 119.914 -0.015 0.000 2.488 60 V HA 0.435 4.555 4.120 0.000 0.000 0.293 60 V C -0.694 175.399 176.094 -0.001 0.000 1.027 60 V CA -0.540 61.758 62.300 -0.003 0.000 0.862 60 V CB 1.751 33.578 31.823 0.006 0.000 1.008 60 V HN 0.736 nan 8.190 nan 0.000 0.428 61 K N 6.488 126.889 120.400 0.001 0.000 2.205 61 K HA 0.498 4.818 4.320 0.000 0.000 0.279 61 K C -2.533 174.071 176.600 0.007 0.000 1.027 61 K CA -1.718 54.570 56.287 0.002 0.000 0.932 61 K CB 1.884 34.385 32.500 0.001 0.000 1.032 61 K HN 0.353 nan 8.250 nan 0.000 0.466 62 P HA 0.106 nan 4.420 nan 0.000 0.278 62 P C 0.717 178.023 177.300 0.009 0.000 1.258 62 P CA -0.633 62.473 63.100 0.010 0.000 0.811 62 P CB 0.876 32.583 31.700 0.011 0.000 1.063 63 L N 0.932 122.162 121.223 0.010 0.000 2.017 63 L HA 0.108 4.448 4.340 0.000 0.000 0.208 63 L C 0.733 177.608 176.870 0.009 0.000 1.073 63 L CA 2.082 56.928 54.840 0.009 0.000 0.745 63 L CB -0.886 41.179 42.059 0.010 0.000 0.894 63 L HN 0.588 nan 8.230 nan 0.000 0.432 64 A N -2.010 120.816 122.820 0.009 0.000 2.572 64 A HA 0.643 4.963 4.320 0.000 0.000 0.295 64 A C -1.433 176.157 177.584 0.010 0.000 1.072 64 A CA -0.545 51.497 52.037 0.009 0.000 0.691 64 A CB 1.370 20.375 19.000 0.009 0.000 1.291 64 A HN -0.167 nan 8.150 nan 0.000 0.404 65 V N 1.655 121.575 119.914 0.010 0.000 2.370 65 V HA 0.401 4.521 4.120 0.000 0.000 0.279 65 V C -0.148 175.953 176.094 0.012 0.000 1.029 65 V CA -0.492 61.815 62.300 0.012 0.000 0.870 65 V CB 1.295 33.126 31.823 0.013 0.000 0.984 65 V HN 0.628 nan 8.190 nan 0.000 0.451 66 V N 6.585 126.506 119.914 0.012 0.000 2.432 66 V HA 0.415 4.535 4.120 0.000 0.000 0.275 66 V C 0.438 176.540 176.094 0.013 0.000 1.043 66 V CA -0.580 61.727 62.300 0.011 0.000 0.925 66 V CB 1.203 33.033 31.823 0.011 0.000 0.985 66 V HN 0.774 nan 8.190 nan 0.000 0.466 67 R N 6.131 126.638 120.500 0.011 0.000 2.332 67 R HA 0.334 4.674 4.340 0.000 0.000 0.306 67 R C -2.628 173.678 176.300 0.010 0.000 1.117 67 R CA -1.560 54.547 56.100 0.012 0.000 1.108 67 R CB 1.434 31.741 30.300 0.011 0.000 1.126 67 R HN 0.504 nan 8.270 nan 0.000 0.548 68 P HA 0.019 nan 4.420 nan 0.000 0.277 68 P C 0.972 178.275 177.300 0.005 0.000 1.240 68 P CA -0.275 62.830 63.100 0.008 0.000 0.798 68 P CB 1.398 33.104 31.700 0.011 0.000 0.979 69 V N 0.007 119.922 119.914 0.002 0.000 2.535 69 V HA 0.358 4.478 4.120 0.000 0.000 0.246 69 V C 0.941 177.031 176.094 -0.006 0.000 1.045 69 V CA 1.613 63.910 62.300 -0.004 0.000 1.058 69 V CB -1.209 30.610 31.823 -0.007 0.000 0.689 69 V HN 0.750 nan 8.190 nan 0.000 0.461 70 G N -1.099 107.701 108.800 0.000 0.000 2.650 70 G HA2 0.482 4.442 3.960 0.000 0.000 0.310 70 G HA3 0.482 4.442 3.960 0.000 0.000 0.310 70 G C -2.737 172.173 174.900 0.015 0.000 1.270 70 G CA -0.005 45.098 45.100 0.006 0.000 0.810 70 G HN -0.009 nan 8.290 nan 0.000 0.493 71 P HA -0.056 nan 4.420 nan 0.000 0.219 71 P C 1.404 178.712 177.300 0.014 0.000 1.146 71 P CA 1.172 64.286 63.100 0.023 0.000 0.808 71 P CB 0.369 32.087 31.700 0.030 0.000 0.779 72 E N 0.065 120.271 120.200 0.010 0.000 2.047 72 E HA -0.191 4.159 4.350 0.000 0.000 0.191 72 E C 1.311 177.915 176.600 0.007 0.000 0.987 72 E CA 1.281 57.685 56.400 0.007 0.000 0.799 72 E CB -0.412 29.291 29.700 0.005 0.000 0.752 72 E HN 0.127 nan 8.360 nan 0.000 0.449 73 D N 0.443 120.847 120.400 0.006 0.000 2.182 73 D HA -0.131 4.509 4.640 0.000 0.000 0.201 73 D C 2.021 178.326 176.300 0.008 0.000 0.986 73 D CA 0.870 54.874 54.000 0.006 0.000 0.847 73 D CB -0.159 40.645 40.800 0.006 0.000 0.942 73 D HN 0.310 nan 8.370 nan 0.000 0.467 74 I N 0.563 121.139 120.570 0.010 0.000 2.333 74 I HA -0.148 4.022 4.170 0.000 0.000 0.246 74 I C 2.385 178.507 176.117 0.009 0.000 1.106 74 I CA 0.799 62.105 61.300 0.010 0.000 1.411 74 I CB -0.195 37.813 38.000 0.012 0.000 1.082 74 I HN -0.085 nan 8.210 nan 0.000 0.420 75 A N 1.035 123.860 122.820 0.008 0.000 1.972 75 A HA -0.089 4.231 4.320 0.000 0.000 0.219 75 A C 2.397 179.985 177.584 0.007 0.000 1.169 75 A CA 1.739 53.781 52.037 0.008 0.000 0.635 75 A CB -1.322 17.682 19.000 0.007 0.000 0.810 75 A HN 0.466 nan 8.150 nan 0.000 0.446 76 G N -0.303 108.501 108.800 0.006 0.000 2.421 76 G HA2 -0.014 3.946 3.960 0.000 0.000 0.216 76 G HA3 -0.014 3.946 3.960 0.000 0.000 0.216 76 G C 1.782 176.686 174.900 0.006 0.000 1.171 76 G CA 1.448 46.552 45.100 0.006 0.000 0.775 76 G HN 0.772 nan 8.290 nan 0.000 0.543 77 A N 0.128 122.952 122.820 0.007 0.000 1.883 77 A HA 0.004 4.324 4.320 0.000 0.000 0.217 77 A C 2.632 180.220 177.584 0.007 0.000 1.186 77 A CA 2.052 54.093 52.037 0.008 0.000 0.624 77 A CB -0.808 18.198 19.000 0.009 0.000 0.822 77 A HN 0.284 nan 8.150 nan 0.000 0.444 78 V N -0.010 119.909 119.914 0.007 0.000 2.295 78 V HA -0.294 3.826 4.120 0.000 0.000 0.246 78 V C 2.488 178.585 176.094 0.005 0.000 1.049 78 V CA 2.483 64.787 62.300 0.006 0.000 1.024 78 V CB -0.673 31.154 31.823 0.007 0.000 0.648 78 V HN 0.563 nan 8.190 nan 0.000 0.447 79 K N -0.056 120.347 120.400 0.005 0.000 2.097 79 K HA -0.094 4.226 4.320 0.000 0.000 0.206 79 K C 2.298 178.900 176.600 0.004 0.000 1.049 79 K CA 1.326 57.616 56.287 0.004 0.000 0.933 79 K CB -0.404 32.099 32.500 0.004 0.000 0.717 79 K HN 0.482 nan 8.250 nan 0.000 0.442 80 A N 1.565 124.387 122.820 0.005 0.000 1.883 80 A HA -0.166 4.154 4.320 0.000 0.000 0.217 80 A C 2.387 179.974 177.584 0.005 0.000 1.186 80 A CA 1.989 54.028 52.037 0.005 0.000 0.624 80 A CB -0.829 18.174 19.000 0.006 0.000 0.822 80 A HN 0.336 nan 8.150 nan 0.000 0.444 81 A N -0.440 122.383 122.820 0.006 0.000 1.933 81 A HA -0.053 4.267 4.320 0.000 0.000 0.218 81 A C 2.153 179.740 177.584 0.004 0.000 1.175 81 A CA 1.524 53.565 52.037 0.006 0.000 0.628 81 A CB -0.606 18.398 19.000 0.007 0.000 0.814 81 A HN 0.485 nan 8.150 nan 0.000 0.444 82 L N -1.247 119.978 121.223 0.002 0.000 2.141 82 L HA -0.155 4.185 4.340 0.000 0.000 0.209 82 L C 2.802 179.673 176.870 0.001 0.000 1.094 82 L CA 1.184 56.024 54.840 0.000 0.000 0.763 82 L CB -0.364 41.694 42.059 -0.001 0.000 0.908 82 L HN 0.360 nan 8.230 nan 0.000 0.437 83 R N -0.287 120.214 120.500 0.002 0.000 2.119 83 R HA -0.017 4.323 4.340 0.000 0.000 0.222 83 R C 1.402 177.704 176.300 0.003 0.000 1.088 83 R CA 0.672 56.773 56.100 0.002 0.000 0.984 83 R CB -0.120 30.182 30.300 0.002 0.000 0.884 83 R HN 0.396 nan 8.270 nan 0.000 0.447 84 S N 0.288 115.990 115.700 0.005 0.000 2.624 84 S HA 0.029 4.499 4.470 0.000 0.000 0.263 84 S C 0.594 175.198 174.600 0.007 0.000 1.287 84 S CA -0.689 57.514 58.200 0.006 0.000 0.990 84 S CB 1.129 64.333 63.200 0.007 0.000 0.950 84 S HN 0.021 nan 8.310 nan 0.000 0.561 85 D N 0.403 120.808 120.400 0.008 0.000 2.213 85 D HA 0.068 4.708 4.640 0.000 0.000 0.205 85 D C 1.121 177.429 176.300 0.013 0.000 0.961 85 D CA 1.007 55.013 54.000 0.010 0.000 0.853 85 D CB 0.103 40.910 40.800 0.010 0.000 0.967 85 D HN 0.615 nan 8.370 nan 0.000 0.496 86 K N -0.357 120.051 120.400 0.014 0.000 2.521 86 K HA 0.220 4.540 4.320 0.000 0.000 0.213 86 K C 0.518 177.129 176.600 0.018 0.000 1.223 86 K CA -0.129 56.168 56.287 0.017 0.000 1.013 86 K CB 1.580 34.091 32.500 0.018 0.000 1.017 86 K HN -0.027 nan 8.250 nan 0.000 0.591 87 L N 2.763 123.994 121.223 0.014 0.000 2.461 87 L HA 0.066 4.406 4.340 0.000 0.000 0.272 87 L C 0.691 177.571 176.870 0.015 0.000 1.197 87 L CA 0.426 55.275 54.840 0.014 0.000 0.836 87 L CB 0.422 42.488 42.059 0.012 0.000 1.105 87 L HN 0.184 nan 8.230 nan 0.000 0.477 88 T N -0.446 114.118 114.554 0.017 0.000 2.916 88 T HA 0.724 5.074 4.350 0.000 0.000 0.292 88 T C -0.591 174.118 174.700 0.016 0.000 1.064 88 T CA -0.812 61.299 62.100 0.018 0.000 1.011 88 T CB 2.144 71.027 68.868 0.026 0.000 1.152 88 T HN 0.188 nan 8.240 nan 0.000 0.510 89 V N 0.749 120.671 119.914 0.014 0.000 2.531 89 V HA 0.786 4.906 4.120 0.000 0.000 0.301 89 V C -0.296 175.808 176.094 0.015 0.000 1.034 89 V CA -0.878 61.430 62.300 0.013 0.000 0.865 89 V CB 1.347 33.176 31.823 0.009 0.000 0.995 89 V HN 1.352 nan 8.190 nan 0.000 0.424 90 A N 3.798 126.629 122.820 0.019 0.000 2.335 90 A HA 0.894 5.214 4.320 0.000 0.000 0.304 90 A C 0.078 177.676 177.584 0.024 0.000 1.118 90 A CA -0.305 51.745 52.037 0.023 0.000 0.757 90 A CB 1.273 20.290 19.000 0.027 0.000 1.188 90 A HN 1.345 nan 8.150 nan 0.000 0.460 91 A N 2.569 125.405 122.820 0.026 0.000 2.450 91 A HA 0.554 4.874 4.320 0.000 0.000 0.255 91 A C 0.545 178.151 177.584 0.037 0.000 1.096 91 A CA -0.144 51.910 52.037 0.030 0.000 0.778 91 A CB 0.093 19.111 19.000 0.030 0.000 1.031 91 A HN 0.873 nan 8.150 nan 0.000 0.494 92 R N 2.443 122.965 120.500 0.038 0.000 2.338 92 R HA 0.471 4.811 4.340 0.000 0.000 0.317 92 R C 0.887 177.221 176.300 0.056 0.000 0.968 92 R CA 0.209 56.336 56.100 0.045 0.000 0.849 92 R CB 1.210 31.533 30.300 0.038 0.000 1.128 92 R HN 0.801 nan 8.270 nan 0.000 0.448 93 G N 2.002 110.846 108.800 0.073 0.000 2.558 93 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 93 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 93 G C 0.597 175.560 174.900 0.104 0.000 1.567 93 G CA 0.190 45.343 45.100 0.088 0.000 0.950 93 G HN 0.578 nan 8.290 nan 0.000 0.517 94 N N -0.503 118.288 118.700 0.150 0.000 2.241 94 N HA 0.256 4.996 4.740 0.000 0.000 0.238 94 N C 0.909 176.537 175.510 0.197 0.000 1.244 94 N CA 0.706 53.873 53.050 0.194 0.000 0.880 94 N CB 0.413 39.056 38.487 0.260 0.000 1.179 94 N HN 0.649 nan 8.380 nan 0.000 0.513 95 G N 0.722 109.592 108.800 0.118 0.000 2.198 95 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 95 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 95 G C 0.512 175.379 174.900 -0.055 0.000 1.025 95 G CA 0.355 45.474 45.100 0.032 0.000 0.769 95 G HN 0.580 nan 8.290 nan 0.000 0.507 96 H N 0.019 119.086 119.070 -0.005 0.000 2.539 96 H HA 0.182 4.738 4.556 0.000 0.000 0.267 96 H C 1.487 176.764 175.328 -0.085 0.000 0.982 96 H CA 0.829 56.817 56.048 -0.100 0.000 1.146 96 H CB 0.376 30.055 29.762 -0.138 0.000 1.382 96 H HN 0.443 nan 8.280 nan 0.000 0.577 97 S N 0.650 116.355 115.700 0.008 0.000 2.573 97 S HA -0.006 4.464 4.470 0.000 0.000 0.277 97 S C 1.653 176.209 174.600 -0.074 0.000 1.346 97 S CA -0.309 57.879 58.200 -0.020 0.000 1.034 97 S CB 0.833 64.022 63.200 -0.019 0.000 0.879 97 S HN 0.226 nan 8.310 nan 0.000 0.528 98 I N 1.589 122.105 120.570 -0.089 0.000 3.265 98 I HA 0.085 4.255 4.170 0.000 0.000 0.282 98 I C 0.549 176.551 176.117 -0.192 0.000 1.207 98 I CA 0.976 62.195 61.300 -0.134 0.000 1.449 98 I CB -0.940 37.019 38.000 -0.069 0.000 1.121 98 I HN 0.544 nan 8.210 nan 0.000 0.442 99 N N 0.209 118.762 118.700 -0.245 0.000 2.433 99 N HA 0.336 5.076 4.740 0.000 0.000 0.270 99 N C 0.798 176.094 175.510 -0.357 0.000 1.354 99 N CA 0.442 53.232 53.050 -0.434 0.000 0.889 99 N CB 1.171 39.108 38.487 -0.915 0.000 1.285 99 N HN 0.262 nan 8.380 nan 0.000 0.503 100 G N 0.760 109.454 108.800 -0.177 0.000 2.143 100 G HA2 -0.356 3.604 3.960 0.000 0.000 0.248 100 G HA3 -0.356 3.604 3.960 0.000 0.000 0.248 100 G C 0.888 175.771 174.900 -0.029 0.000 0.991 100 G CA 0.257 45.306 45.100 -0.085 0.000 0.689 100 G HN 0.355 nan 8.290 nan 0.000 0.522 101 Q N -0.117 119.667 119.800 -0.028 0.000 2.291 101 Q HA 0.416 4.756 4.340 0.000 0.000 0.206 101 Q C 1.918 177.943 176.000 0.042 0.000 0.976 101 Q CA 1.581 57.407 55.803 0.038 0.000 0.875 101 Q CB -0.038 28.731 28.738 0.051 0.000 0.927 101 Q HN 1.077 nan 8.270 nan 0.000 0.450 105 E N 1.630 121.846 120.200 0.028 0.000 2.606 105 E HA 0.357 4.707 4.350 0.000 0.000 0.248 105 E C 1.409 178.022 176.600 0.022 0.000 1.005 105 E CA 1.779 58.193 56.400 0.024 0.000 0.946 105 E CB 0.094 29.812 29.700 0.030 0.000 0.928 105 E HN 2.085 nan 8.360 nan 0.000 0.494 106 G N 3.157 111.967 108.800 0.017 0.000 2.233 106 G HA2 -0.276 3.684 3.960 0.000 0.000 0.270 106 G HA3 -0.276 3.684 3.960 0.000 0.000 0.270 106 G C 0.494 175.404 174.900 0.016 0.000 1.011 106 G CA 0.408 45.517 45.100 0.016 0.000 0.762 106 G HN 0.868 nan 8.290 nan 0.000 0.511 107 G N -1.391 107.419 108.800 0.017 0.000 3.008 107 G HA2 0.716 4.676 3.960 0.000 0.000 0.181 107 G HA3 0.716 4.676 3.960 0.000 0.000 0.181 107 G C -0.357 174.552 174.900 0.014 0.000 1.309 107 G CA -1.094 44.016 45.100 0.017 0.000 1.009 107 G HN 0.639 nan 8.290 nan 0.000 0.584 108 L N 0.745 121.977 121.223 0.014 0.000 2.319 108 L HA 0.454 4.794 4.340 0.000 0.000 0.281 108 L C -0.693 176.186 176.870 0.015 0.000 1.005 108 L CA -0.788 54.060 54.840 0.013 0.000 0.828 108 L CB 1.928 43.994 42.059 0.012 0.000 1.227 108 L HN 0.053 nan 8.230 nan 0.000 0.415 109 V N 4.333 124.256 119.914 0.015 0.000 2.407 109 V HA 0.288 4.408 4.120 0.000 0.000 0.278 109 V C 0.170 176.275 176.094 0.017 0.000 1.037 109 V CA -0.568 61.743 62.300 0.017 0.000 0.900 109 V CB 2.074 33.907 31.823 0.017 0.000 0.983 109 V HN 0.411 nan 8.190 nan 0.000 0.459 110 V N 4.653 124.579 119.914 0.019 0.000 2.333 110 V HA 0.278 4.398 4.120 0.000 0.000 0.274 110 V C 0.181 176.289 176.094 0.023 0.000 1.028 110 V CA -0.420 61.891 62.300 0.019 0.000 0.851 110 V CB 1.325 33.159 31.823 0.018 0.000 1.000 110 V HN 0.947 nan 8.190 nan 0.000 0.456 114 T N 1.304 115.868 114.554 0.017 0.000 3.160 114 T HA 0.153 4.503 4.350 0.000 0.000 0.257 114 T C 1.425 176.129 174.700 0.006 0.000 1.147 114 T CA 1.317 63.423 62.100 0.011 0.000 1.064 114 T CB -0.415 68.460 68.868 0.010 0.000 0.949 114 T HN 0.750 nan 8.240 nan 0.000 0.526 115 T N -2.460 112.100 114.554 0.010 0.000 3.085 115 T HA 0.619 4.969 4.350 0.000 0.000 0.264 115 T C 1.962 176.669 174.700 0.013 0.000 1.019 115 T CA 0.188 62.294 62.100 0.010 0.000 0.910 115 T CB 0.010 68.891 68.868 0.021 0.000 1.059 115 T HN 0.315 nan 8.240 nan 0.000 0.542 116 A N 1.980 124.805 122.820 0.008 0.000 2.019 116 A HA -0.016 4.304 4.320 0.000 0.000 0.219 116 A C 2.093 179.684 177.584 0.011 0.000 1.164 116 A CA 0.995 53.035 52.037 0.005 0.000 0.644 116 A CB -0.245 18.755 19.000 0.001 0.000 0.805 116 A HN 0.474 nan 8.150 nan 0.000 0.449 117 E N -0.103 120.099 120.200 0.002 0.000 2.465 117 E HA 0.048 4.398 4.350 0.000 0.000 0.195 117 E C 0.366 176.959 176.600 -0.011 0.000 1.028 117 E CA -0.151 56.250 56.400 0.001 0.000 0.899 117 E CB -0.135 29.555 29.700 -0.016 0.000 1.032 117 E HN 0.508 nan 8.360 nan 0.000 0.468 118 N N 0.641 119.320 118.700 -0.035 0.000 2.459 118 N HA -0.061 4.679 4.740 0.000 0.000 0.181 118 N C 0.011 175.294 175.510 -0.378 0.000 1.046 118 N CA 0.856 53.797 53.050 -0.182 0.000 0.904 118 N CB 0.149 38.516 38.487 -0.201 0.000 0.964 118 N HN 0.267 nan 8.380 nan 0.000 0.444 119 H N -1.454 117.649 119.070 0.054 0.000 2.865 119 H HA 0.278 4.834 4.556 0.000 0.000 0.362 119 H C -1.425 174.005 175.328 0.170 0.000 1.114 119 H CA -0.588 55.499 56.048 0.065 0.000 1.208 119 H CB 1.404 31.172 29.762 0.011 0.000 1.727 119 H HN -0.091 nan 8.280 nan 0.000 0.534 120 F N 2.445 122.452 119.950 0.094 0.000 3.483 120 F HA 0.134 4.661 4.527 0.000 0.000 0.402 120 F C -1.132 174.679 175.800 0.020 0.000 1.202 120 F CA -0.196 57.829 58.000 0.042 0.000 1.337 120 F CB 0.857 39.878 39.000 0.035 0.000 2.157 120 F HN 0.453 nan 8.300 nan 0.000 0.723 121 E N 4.533 124.577 120.200 -0.260 0.000 2.218 121 E HA 0.544 4.894 4.350 0.000 0.000 0.263 121 E C -1.554 174.792 176.600 -0.424 0.000 0.879 121 E CA -0.626 55.640 56.400 -0.224 0.000 0.762 121 E CB 2.243 31.924 29.700 -0.032 0.000 1.166 121 E HN 0.293 nan 8.360 nan 0.000 0.415 122 V N 3.032 122.590 119.914 -0.594 0.000 2.509 122 V HA 0.657 4.777 4.120 0.000 0.000 0.284 122 V C 0.631 176.217 176.094 -0.846 0.000 1.047 122 V CA -0.182 61.617 62.300 -0.835 0.000 0.952 122 V CB 1.434 32.586 31.823 -1.118 0.000 0.988 122 V HN 0.730 nan 8.190 nan 0.000 0.469 123 G N 2.604 110.525 108.800 -1.466 0.000 2.612 123 G HA2 0.650 4.610 3.960 0.000 0.000 0.298 123 G HA3 0.650 4.610 3.960 0.000 0.000 0.298 123 G C -1.887 172.152 174.900 -1.435 0.000 1.336 123 G CA -0.516 43.722 45.100 -1.437 0.000 0.953 123 G HN 0.406 nan 8.290 nan 0.000 0.482 124 Y N -0.559 119.462 120.300 -0.465 0.000 2.376 124 Y HA 0.654 5.204 4.550 0.000 0.000 0.325 124 Y C 0.000 175.855 175.900 -0.076 0.000 1.199 124 Y CA -0.724 57.231 58.100 -0.241 0.000 1.206 124 Y CB 2.007 40.386 38.460 -0.135 0.000 1.229 124 Y HN 0.235 nan 8.280 nan 0.000 0.480 125 L N 1.312 122.627 121.223 0.153 0.000 2.349 125 L HA 0.324 4.664 4.340 0.000 0.000 0.278 125 L C 0.714 177.640 176.870 0.094 0.000 0.996 125 L CA -0.068 54.850 54.840 0.130 0.000 0.825 125 L CB 1.871 44.003 42.059 0.121 0.000 1.243 125 L HN 0.765 nan 8.230 nan 0.000 0.412 126 S N -0.062 115.681 115.700 0.072 0.000 2.548 126 S HA 0.035 4.505 4.470 0.000 0.000 0.215 126 S C 1.443 176.064 174.600 0.035 0.000 0.976 126 S CA 0.304 58.530 58.200 0.043 0.000 0.908 126 S CB -0.005 63.213 63.200 0.031 0.000 0.781 126 S HN 0.704 nan 8.310 nan 0.000 0.519 127 G N 1.365 110.189 108.800 0.040 0.000 3.186 127 G HA2 0.441 4.401 3.960 0.000 0.000 0.214 127 G HA3 0.441 4.401 3.960 0.000 0.000 0.214 127 G C 0.946 175.864 174.900 0.031 0.000 1.222 127 G CA -0.003 45.116 45.100 0.031 0.000 0.921 127 G HN 0.996 nan 8.290 nan 0.000 0.504 128 G N -0.065 108.754 108.800 0.031 0.000 2.633 128 G HA2 -0.117 3.843 3.960 0.000 0.000 0.263 128 G HA3 -0.117 3.843 3.960 0.000 0.000 0.263 128 G C 0.365 175.286 174.900 0.035 0.000 1.310 128 G CA 0.468 45.586 45.100 0.031 0.000 0.914 128 G HN 1.090 nan 8.290 nan 0.000 0.569 129 D N -2.074 118.349 120.400 0.039 0.000 4.344 129 D HA -0.012 4.628 4.640 0.000 0.000 0.144 129 D C 1.145 177.460 176.300 0.024 0.000 0.730 129 D CA 3.664 57.691 54.000 0.045 0.000 1.156 129 D CB -1.495 39.333 40.800 0.046 0.000 0.570 129 D HN 2.117 nan 8.370 nan 0.000 0.533 130 A N -0.691 122.132 122.820 0.004 0.000 2.401 130 A HA 0.486 4.806 4.320 0.000 0.000 0.259 130 A C 1.372 178.964 177.584 0.013 0.000 1.103 130 A CA 0.934 52.958 52.037 -0.022 0.000 0.789 130 A CB 0.596 19.576 19.000 -0.033 0.000 1.035 130 A HN 0.464 nan 8.150 nan 0.000 0.491 131 T N 1.334 115.893 114.554 0.009 0.000 2.746 131 T HA 0.259 4.609 4.350 0.000 0.000 0.267 131 T C 0.920 175.661 174.700 0.069 0.000 1.039 131 T CA 1.832 63.965 62.100 0.056 0.000 1.142 131 T CB -0.187 68.718 68.868 0.062 0.000 0.866 131 T HN 1.318 nan 8.240 nan 0.000 0.444 132 A N 0.434 123.232 122.820 -0.038 0.000 2.493 132 A HA 0.694 5.014 4.320 0.000 0.000 0.300 132 A C -1.927 175.558 177.584 -0.165 0.000 1.152 132 A CA -1.096 50.800 52.037 -0.236 0.000 0.643 132 A CB 0.706 19.436 19.000 -0.449 0.000 1.316 132 A HN 0.323 nan 8.150 nan 0.000 0.469 133 F N -1.894 117.900 119.950 -0.259 0.000 2.626 133 F HA 0.829 5.356 4.527 0.000 0.000 0.311 133 F C -1.042 174.556 175.800 -0.336 0.000 1.088 133 F CA -1.362 56.494 58.000 -0.240 0.000 0.949 133 F CB 1.421 40.306 39.000 -0.192 0.000 1.322 133 F HN 0.734 nan 8.300 nan 0.000 0.461 134 V N 1.662 121.555 119.914 -0.036 0.000 2.656 134 V HA 0.484 4.604 4.120 0.000 0.000 0.307 134 V C -1.360 174.671 176.094 -0.106 0.000 1.051 134 V CA -0.441 61.710 62.300 -0.248 0.000 0.893 134 V CB 1.758 33.263 31.823 -0.530 0.000 0.999 134 V HN 0.830 nan 8.190 nan 0.000 0.426 135 D N 4.999 125.326 120.400 -0.123 0.000 2.295 135 D HA 0.469 5.109 4.640 0.000 0.000 0.248 135 D C -0.134 176.090 176.300 -0.126 0.000 1.154 135 D CA 0.421 54.341 54.000 -0.133 0.000 0.857 135 D CB 1.606 42.344 40.800 -0.103 0.000 1.117 135 D HN 0.643 nan 8.370 nan 0.000 0.468 136 V N -0.348 119.494 119.914 -0.120 0.000 3.001 136 V HA 0.603 4.723 4.120 0.000 0.000 0.314 136 V C 0.279 176.350 176.094 -0.040 0.000 1.099 136 V CA -1.067 61.219 62.300 -0.023 0.000 0.989 136 V CB 1.886 33.666 31.823 -0.072 0.000 1.040 136 V HN 0.371 nan 8.190 nan 0.000 0.434 137 S N 1.491 117.231 115.700 0.066 0.000 2.572 137 S HA 0.364 4.834 4.470 0.000 0.000 0.279 137 S C 1.559 176.131 174.600 -0.047 0.000 1.341 137 S CA 0.361 58.607 58.200 0.077 0.000 1.043 137 S CB 0.836 64.094 63.200 0.096 0.000 0.887 137 S HN 1.667 nan 8.310 nan 0.000 0.516 138 G N 3.078 111.856 108.800 -0.036 0.000 2.462 138 G HA2 -0.084 3.876 3.960 0.000 0.000 0.220 138 G HA3 -0.084 3.876 3.960 0.000 0.000 0.220 138 G C 1.122 175.994 174.900 -0.046 0.000 1.121 138 G CA 0.655 45.724 45.100 -0.051 0.000 0.758 138 G HN 0.919 nan 8.290 nan 0.000 0.559 139 G N -0.120 108.666 108.800 -0.023 0.000 3.042 139 G HA2 0.437 4.397 3.960 0.000 0.000 0.212 139 G HA3 0.437 4.397 3.960 0.000 0.000 0.212 139 G C 0.735 175.614 174.900 -0.036 0.000 1.166 139 G CA 0.609 45.701 45.100 -0.015 0.000 0.767 139 G HN 0.650 nan 8.290 nan 0.000 0.546 140 A N 0.329 123.101 122.820 -0.081 0.000 2.425 140 A HA 0.582 4.902 4.320 0.000 0.000 0.249 140 A C 0.197 177.689 177.584 -0.154 0.000 1.084 140 A CA -0.278 51.699 52.037 -0.100 0.000 0.781 140 A CB 0.322 19.254 19.000 -0.113 0.000 1.019 140 A HN 0.262 nan 8.150 nan 0.000 0.490 141 L N 1.690 122.868 121.223 -0.075 0.000 2.349 141 L HA 0.089 4.429 4.340 0.000 0.000 0.275 141 L C 0.597 177.460 176.870 -0.013 0.000 1.115 141 L CA -0.283 54.540 54.840 -0.028 0.000 0.820 141 L CB 0.752 42.830 42.059 0.031 0.000 1.135 141 L HN 1.029 nan 8.230 nan 0.000 0.445 142 W N 1.005 122.360 121.300 0.091 0.000 2.331 142 W HA -0.230 4.430 4.660 0.000 0.000 0.291 142 W C 2.302 178.908 176.519 0.146 0.000 1.214 142 W CA 1.239 58.690 57.345 0.176 0.000 1.228 142 W CB -0.038 29.575 29.460 0.256 0.000 1.135 142 W HN 0.670 nan 8.180 nan 0.000 0.537 143 E N 0.461 120.790 120.200 0.216 0.000 2.077 143 E HA -0.229 4.121 4.350 0.000 0.000 0.193 143 E C 1.551 178.189 176.600 0.065 0.000 0.989 143 E CA 1.750 58.186 56.400 0.060 0.000 0.800 143 E CB -0.174 29.496 29.700 -0.051 0.000 0.746 143 E HN 0.159 nan 8.360 nan 0.000 0.452 144 D N 0.093 120.529 120.400 0.059 0.000 2.149 144 D HA -0.113 4.527 4.640 0.000 0.000 0.201 144 D C 2.121 178.463 176.300 0.069 0.000 0.972 144 D CA 0.838 54.856 54.000 0.030 0.000 0.835 144 D CB -0.044 40.754 40.800 -0.003 0.000 0.966 144 D HN 0.134 nan 8.370 nan 0.000 0.476 145 V N 1.536 121.533 119.914 0.138 0.000 2.295 145 V HA -0.229 3.891 4.120 0.000 0.000 0.246 145 V C 2.517 178.815 176.094 0.339 0.000 1.049 145 V CA 1.118 63.563 62.300 0.243 0.000 1.024 145 V CB -0.507 31.424 31.823 0.180 0.000 0.648 145 V HN 0.127 nan 8.190 nan 0.000 0.447 146 L N 0.367 121.817 121.223 0.379 0.000 1.989 146 L HA -0.204 4.136 4.340 0.000 0.000 0.211 146 L C 2.391 179.384 176.870 0.205 0.000 1.071 146 L CA 2.103 57.157 54.840 0.356 0.000 0.749 146 L CB -0.781 41.357 42.059 0.132 0.000 0.890 146 L HN 0.195 nan 8.230 nan 0.000 0.431 147 K N -1.007 119.458 120.400 0.108 0.000 2.097 147 K HA -0.183 4.137 4.320 0.000 0.000 0.206 147 K C 2.371 179.009 176.600 0.063 0.000 1.049 147 K CA 1.620 57.939 56.287 0.053 0.000 0.933 147 K CB -0.179 32.323 32.500 0.004 0.000 0.717 147 K HN 0.285 nan 8.250 nan 0.000 0.442 148 R N 0.204 120.732 120.500 0.047 0.000 2.075 148 R HA -0.056 4.284 4.340 0.000 0.000 0.226 148 R C 2.251 178.694 176.300 0.239 0.000 1.114 148 R CA 1.182 57.267 56.100 -0.026 0.000 0.972 148 R CB -0.238 29.816 30.300 -0.409 0.000 0.869 148 R HN 0.212 nan 8.270 nan 0.000 0.437 149 C N -0.252 119.295 119.300 0.412 0.000 2.413 149 C HA -0.071 4.389 4.460 0.000 0.000 0.276 149 C C 2.572 177.778 174.990 0.360 0.000 1.236 149 C CA 0.614 59.921 59.018 0.482 0.000 1.735 149 C CB -0.573 27.387 27.740 0.365 0.000 2.031 149 C HN 0.346 nan 8.230 nan 0.000 0.474 150 V N 1.574 121.641 119.914 0.256 0.000 2.323 150 V HA -0.152 3.968 4.120 0.000 0.000 0.244 150 V C 2.606 178.781 176.094 0.135 0.000 1.041 150 V CA 2.447 64.860 62.300 0.187 0.000 1.025 150 V CB -0.896 31.024 31.823 0.163 0.000 0.656 150 V HN 0.745 nan 8.190 nan 0.000 0.451 151 S N -0.024 115.739 115.700 0.105 0.000 2.387 151 S HA -0.161 4.309 4.470 0.000 0.000 0.226 151 S C 1.744 176.352 174.600 0.013 0.000 1.026 151 S CA 1.447 59.673 58.200 0.044 0.000 0.972 151 S CB -0.342 62.867 63.200 0.015 0.000 0.814 151 S HN 0.721 nan 8.310 nan 0.000 0.477 152 E N -0.598 119.628 120.200 0.043 0.000 2.276 152 E HA 0.088 4.438 4.350 0.000 0.000 0.193 152 E C 0.712 177.071 176.600 -0.402 0.000 0.983 152 E CA 0.714 57.015 56.400 -0.166 0.000 0.861 152 E CB 0.058 29.672 29.700 -0.144 0.000 0.817 152 E HN 0.742 nan 8.360 nan 0.000 0.485 153 Y N -1.274 119.082 120.300 0.093 0.000 2.437 153 Y HA 0.288 4.838 4.550 0.000 0.000 0.266 153 Y C 1.325 177.264 175.900 0.065 0.000 1.077 153 Y CA 0.102 58.250 58.100 0.080 0.000 1.235 153 Y CB 1.245 39.747 38.460 0.070 0.000 1.303 153 Y HN 0.037 nan 8.280 nan 0.000 0.536 154 G N 1.623 110.531 108.800 0.180 0.000 2.225 154 G HA2 -0.282 3.678 3.960 0.000 0.000 0.267 154 G HA3 -0.282 3.678 3.960 0.000 0.000 0.267 154 G C -0.268 174.703 174.900 0.117 0.000 1.024 154 G CA 0.636 45.806 45.100 0.116 0.000 0.784 154 G HN 0.273 nan 8.290 nan 0.000 0.507 155 L N -1.080 120.243 121.223 0.166 0.000 2.301 155 L HA 0.959 5.299 4.340 0.000 0.000 0.264 155 L C 0.326 177.295 176.870 0.164 0.000 1.016 155 L CA -0.700 54.211 54.840 0.118 0.000 0.821 155 L CB 2.254 44.355 42.059 0.069 0.000 1.346 155 L HN 0.532 nan 8.230 nan 0.000 0.429 156 A N 1.057 123.971 122.820 0.157 0.000 2.589 156 A HA 0.778 5.098 4.320 0.000 0.000 0.296 156 A C -2.910 174.813 177.584 0.232 0.000 1.062 156 A CA -1.275 50.947 52.037 0.309 0.000 0.686 156 A CB 1.596 20.900 19.000 0.508 0.000 1.282 156 A HN 0.347 nan 8.150 nan 0.000 0.404 157 P HA 0.126 nan 4.420 nan 0.000 0.269 157 P C 0.365 177.572 177.300 -0.155 0.000 1.211 157 P CA 0.075 63.082 63.100 -0.155 0.000 0.781 157 P CB 0.369 31.731 31.700 -0.563 0.000 0.877 158 R N -0.738 119.562 120.500 -0.332 0.000 2.437 158 R HA 0.351 4.691 4.340 0.000 0.000 0.257 158 R C 0.127 176.308 176.300 -0.199 0.000 0.927 158 R CA -0.068 55.913 56.100 -0.198 0.000 1.078 158 R CB 0.370 30.358 30.300 -0.520 0.000 1.161 158 R HN 0.260 nan 8.270 nan 0.000 0.529 159 S N 0.160 115.526 115.700 -0.556 0.000 2.571 159 S HA 0.547 5.017 4.470 0.000 0.000 0.284 159 S C -1.830 172.300 174.600 -0.783 0.000 1.128 159 S CA -0.762 57.200 58.200 -0.397 0.000 0.970 159 S CB 0.800 63.846 63.200 -0.256 0.000 1.039 159 S HN 0.352 nan 8.310 nan 0.000 0.485 160 W N 1.318 122.540 121.300 -0.130 0.000 3.021 160 W HA 0.609 5.269 4.660 -0.000 0.000 0.337 160 W C 0.255 176.646 176.519 -0.213 0.000 1.171 160 W CA -0.744 56.454 57.345 -0.246 0.000 1.060 160 W CB 1.149 30.545 29.460 -0.107 0.000 1.472 160 W HN 0.658 nan 8.180 nan 0.000 0.594 161 T N -2.513 112.092 114.554 0.086 0.000 2.950 161 T HA 0.258 4.608 4.350 0.000 0.000 0.288 161 T C 0.241 175.022 174.700 0.135 0.000 1.035 161 T CA -0.621 61.544 62.100 0.107 0.000 1.028 161 T CB 1.540 70.445 68.868 0.062 0.000 1.109 161 T HN 0.308 nan 8.240 nan 0.000 0.514 162 D N -0.632 119.864 120.400 0.161 0.000 2.144 162 D HA -0.021 4.619 4.640 0.000 0.000 0.200 162 D C -0.044 176.308 176.300 0.087 0.000 0.978 162 D CA 1.510 55.576 54.000 0.109 0.000 0.833 162 D CB -0.099 40.796 40.800 0.159 0.000 0.961 162 D HN 0.605 nan 8.370 nan 0.000 0.470 163 Y N 0.348 120.657 120.300 0.015 0.000 2.335 163 Y HA 0.295 4.845 4.550 0.000 0.000 0.338 163 Y C 0.153 176.053 175.900 -0.000 0.000 0.977 163 Y CA -0.755 57.343 58.100 -0.005 0.000 1.114 163 Y CB 1.092 39.568 38.460 0.027 0.000 1.182 163 Y HN -0.324 nan 8.280 nan 0.000 0.463 164 L N 5.153 126.048 121.223 -0.546 0.000 2.607 164 L HA 0.333 4.673 4.340 0.000 0.000 0.228 164 L C 1.728 178.448 176.870 -0.250 0.000 1.123 164 L CA 0.577 55.271 54.840 -0.242 0.000 0.890 164 L CB 0.150 42.103 42.059 -0.177 0.000 1.103 164 L HN 0.973 nan 8.230 nan 0.000 0.468 165 G N 0.419 108.787 108.800 -0.721 0.000 3.471 165 G HA2 0.356 4.316 3.960 0.000 0.000 0.254 165 G HA3 0.356 4.316 3.960 0.000 0.000 0.254 165 G C 0.023 174.934 174.900 0.019 0.000 1.199 165 G CA -0.060 44.877 45.100 -0.272 0.000 1.683 165 G HN 0.130 nan 8.290 nan 0.000 0.625 166 L N 0.162 121.459 121.223 0.123 0.000 2.354 166 L HA 0.538 4.878 4.340 0.000 0.000 0.264 166 L C 0.582 177.629 176.870 0.295 0.000 1.008 166 L CA -1.150 53.829 54.840 0.232 0.000 0.819 166 L CB 2.414 44.652 42.059 0.298 0.000 1.339 166 L HN 0.163 nan 8.230 nan 0.000 0.420 167 T N -2.034 112.648 114.554 0.213 0.000 2.899 167 T HA 0.299 4.649 4.350 0.000 0.000 0.284 167 T C 1.159 175.891 174.700 0.053 0.000 1.004 167 T CA -0.763 61.376 62.100 0.066 0.000 1.043 167 T CB 1.659 70.555 68.868 0.046 0.000 1.013 167 T HN 0.245 nan 8.240 nan 0.000 0.518 168 V N 2.565 122.285 119.914 -0.323 0.000 2.287 168 V HA -0.054 4.066 4.120 0.000 0.000 0.248 168 V C 2.874 179.000 176.094 0.054 0.000 1.053 168 V CA 2.474 64.567 62.300 -0.345 0.000 1.027 168 V CB -1.487 29.963 31.823 -0.622 0.000 0.646 168 V HN 1.118 nan 8.190 nan 0.000 0.447 169 G N -0.458 108.352 108.800 0.016 0.000 2.403 169 G HA2 -0.076 3.884 3.960 0.000 0.000 0.216 169 G HA3 -0.076 3.884 3.960 0.000 0.000 0.216 169 G C 1.587 176.558 174.900 0.118 0.000 1.154 169 G CA 0.858 45.992 45.100 0.057 0.000 0.784 169 G HN 0.587 nan 8.290 nan 0.000 0.538 170 G N 0.823 109.709 108.800 0.143 0.000 2.433 170 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 170 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 170 G C 2.044 177.078 174.900 0.222 0.000 1.186 170 G CA 2.382 47.585 45.100 0.172 0.000 0.779 170 G HN 0.560 nan 8.290 nan 0.000 0.543 171 T N -0.224 114.520 114.554 0.316 0.000 2.821 171 T HA 0.058 4.408 4.350 0.000 0.000 0.267 171 T C 2.438 177.305 174.700 0.279 0.000 1.046 171 T CA 0.989 63.283 62.100 0.322 0.000 1.139 171 T CB -0.329 68.757 68.868 0.363 0.000 0.871 171 T HN 0.156 nan 8.240 nan 0.000 0.454 172 L N 1.103 122.487 121.223 0.269 0.000 2.275 172 L HA 0.024 4.364 4.340 0.000 0.000 0.215 172 L C 2.706 179.674 176.870 0.162 0.000 1.119 172 L CA 0.828 55.779 54.840 0.185 0.000 0.790 172 L CB -0.483 41.658 42.059 0.137 0.000 0.919 172 L HN 0.312 nan 8.230 nan 0.000 0.443 173 S N -0.615 115.192 115.700 0.178 0.000 2.561 173 S HA 0.011 4.481 4.470 0.000 0.000 0.225 173 S C 1.282 176.028 174.600 0.242 0.000 0.977 173 S CA 0.383 58.695 58.200 0.187 0.000 0.926 173 S CB -0.048 63.244 63.200 0.153 0.000 0.769 173 S HN 0.482 nan 8.310 nan 0.000 0.533 174 N N 0.012 118.875 118.700 0.273 0.000 3.170 174 N HA 0.383 5.123 4.740 0.000 0.000 0.235 174 N C 1.070 176.890 175.510 0.517 0.000 1.037 174 N CA 0.929 54.195 53.050 0.360 0.000 1.160 174 N CB 0.361 38.994 38.487 0.244 0.000 1.606 174 N HN 0.306 nan 8.380 nan 0.000 0.580 175 A N -0.545 122.573 122.820 0.497 0.000 1.428 175 A HA 0.450 4.770 4.320 0.000 0.000 0.209 175 A C 0.126 177.815 177.584 0.176 0.000 1.887 175 A CA 0.901 53.137 52.037 0.330 0.000 1.545 175 A CB -0.111 19.147 19.000 0.429 0.000 1.456 175 A HN 0.573 nan 8.150 nan 0.000 0.330 176 G N -0.279 108.692 108.800 0.285 0.000 2.929 176 G HA2 0.263 4.223 3.960 0.000 0.000 0.335 176 G HA3 0.263 4.223 3.960 0.000 0.000 0.335 176 G C -0.627 174.309 174.900 0.060 0.000 1.054 176 G CA -0.123 45.052 45.100 0.126 0.000 1.067 176 G HN 1.394 nan 8.290 nan 0.000 0.472 177 V N 1.648 121.662 119.914 0.166 0.000 2.540 177 V HA 0.942 5.062 4.120 0.000 0.000 0.302 177 V C 0.458 176.699 176.094 0.245 0.000 1.035 177 V CA 0.205 62.615 62.300 0.183 0.000 0.873 177 V CB 1.729 33.679 31.823 0.213 0.000 0.992 177 V HN 1.268 nan 8.190 nan 0.000 0.428 178 S N 2.571 118.425 115.700 0.256 0.000 2.873 178 S HA 0.582 5.052 4.470 0.000 0.000 0.303 178 S C 1.136 175.830 174.600 0.155 0.000 1.222 178 S CA 0.316 58.671 58.200 0.258 0.000 0.923 178 S CB 1.183 64.536 63.200 0.254 0.000 1.286 178 S HN 0.999 nan 8.310 nan 0.000 0.571 179 G N 0.222 108.947 108.800 -0.125 0.000 2.776 179 G HA2 0.038 3.998 3.960 0.000 0.000 0.209 179 G HA3 0.038 3.998 3.960 0.000 0.000 0.209 179 G C 0.626 175.560 174.900 0.056 0.000 1.145 179 G CA 0.530 45.307 45.100 -0.539 0.000 0.791 179 G HN 0.536 nan 8.290 nan 0.000 0.530 180 Q N -0.054 119.884 119.800 0.229 0.000 2.408 180 Q HA 0.419 4.759 4.340 0.000 0.000 0.205 180 Q C 2.512 178.513 176.000 0.001 0.000 0.919 180 Q CA 0.629 56.549 55.803 0.195 0.000 0.932 180 Q CB 0.207 29.140 28.738 0.326 0.000 1.058 180 Q HN 0.336 nan 8.270 nan 0.000 0.517 181 A N 0.632 123.523 122.820 0.118 0.000 2.015 181 A HA -0.145 4.175 4.320 0.000 0.000 0.219 181 A C 1.739 179.350 177.584 0.045 0.000 1.163 181 A CA 1.106 53.181 52.037 0.064 0.000 0.646 181 A CB -0.876 18.223 19.000 0.164 0.000 0.806 181 A HN 0.576 nan 8.150 nan 0.000 0.448 182 F N -0.024 119.945 119.950 0.031 0.000 2.269 182 F HA -0.016 4.511 4.527 0.000 0.000 0.301 182 F C 1.880 177.634 175.800 -0.077 0.000 1.082 182 F CA 1.497 59.484 58.000 -0.022 0.000 1.360 182 F CB -0.351 38.609 39.000 -0.067 0.000 1.041 182 F HN 0.165 nan 8.300 nan 0.000 0.512 183 R N -0.396 119.374 120.500 -1.217 0.000 2.087 183 R HA 0.093 4.433 4.340 0.000 0.000 0.213 183 R C 0.943 176.754 176.300 -0.816 0.000 1.137 183 R CA 1.379 56.753 56.100 -1.210 0.000 1.022 183 R CB -1.022 28.280 30.300 -1.662 0.000 0.920 183 R HN 0.343 nan 8.270 nan 0.000 0.451 184 Y N -0.178 119.946 120.300 -0.294 0.000 2.481 184 Y HA 0.496 5.046 4.550 0.000 0.000 0.247 184 Y C 0.676 176.465 175.900 -0.185 0.000 1.151 184 Y CA 0.009 57.998 58.100 -0.185 0.000 1.238 184 Y CB 0.680 39.048 38.460 -0.154 0.000 1.179 184 Y HN 0.361 nan 8.280 nan 0.000 0.524 185 G N 1.283 110.018 108.800 -0.109 0.000 2.829 185 G HA2 -0.187 3.773 3.960 0.000 0.000 0.628 185 G HA3 -0.187 3.773 3.960 0.000 0.000 0.628 185 G C -2.801 171.890 174.900 -0.348 0.000 1.412 185 G CA -0.964 43.954 45.100 -0.303 0.000 0.864 185 G HN 0.012 nan 8.290 nan 0.000 0.544 186 P HA 0.173 nan 4.420 nan 0.000 0.277 186 P C 0.760 177.867 177.300 -0.323 0.000 1.276 186 P CA -0.018 62.790 63.100 -0.487 0.000 0.788 186 P CB 0.425 31.626 31.700 -0.832 0.000 1.114 187 Q N -0.526 119.130 119.800 -0.240 0.000 2.226 187 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 187 Q C 1.840 177.777 176.000 -0.106 0.000 0.975 187 Q CA 2.231 57.916 55.803 -0.198 0.000 0.866 187 Q CB -0.963 27.636 28.738 -0.232 0.000 0.915 187 Q HN 0.623 nan 8.270 nan 0.000 0.440 188 T N -2.415 112.076 114.554 -0.106 0.000 3.051 188 T HA -0.015 4.335 4.350 0.000 0.000 0.269 188 T C 1.694 176.338 174.700 -0.094 0.000 1.127 188 T CA 1.036 63.089 62.100 -0.078 0.000 1.107 188 T CB -0.001 68.844 68.868 -0.039 0.000 0.898 188 T HN -0.012 nan 8.240 nan 0.000 0.517 189 S N 1.739 117.353 115.700 -0.144 0.000 2.575 189 S HA 0.191 4.661 4.470 0.000 0.000 0.215 189 S C 0.840 175.413 174.600 -0.044 0.000 0.966 189 S CA -0.359 57.788 58.200 -0.087 0.000 0.911 189 S CB -0.070 63.037 63.200 -0.156 0.000 0.780 189 S HN 0.563 nan 8.310 nan 0.000 0.514 190 N N 1.716 120.381 118.700 -0.058 0.000 2.571 190 N HA 0.202 4.942 4.740 0.000 0.000 0.298 190 N C -0.879 174.620 175.510 -0.019 0.000 1.671 190 N CA 0.139 53.154 53.050 -0.058 0.000 0.900 190 N CB 1.811 40.220 38.487 -0.130 0.000 1.365 190 N HN 0.211 nan 8.380 nan 0.000 0.493 191 V N -2.231 117.698 119.914 0.024 0.000 2.841 191 V HA 0.619 4.739 4.120 0.000 0.000 0.310 191 V C 0.814 176.989 176.094 0.135 0.000 1.090 191 V CA -0.682 61.651 62.300 0.054 0.000 0.930 191 V CB 1.525 33.381 31.823 0.056 0.000 1.014 191 V HN 0.126 nan 8.190 nan 0.000 0.425 192 T N -0.778 113.795 114.554 0.032 0.000 3.003 192 T HA 0.440 4.790 4.350 0.000 0.000 0.261 192 T C 0.194 174.725 174.700 -0.281 0.000 1.003 192 T CA 0.661 62.714 62.100 -0.079 0.000 0.917 192 T CB 0.169 68.932 68.868 -0.175 0.000 1.084 192 T HN 0.978 nan 8.240 nan 0.000 0.522 193 E N 0.145 120.264 120.200 -0.135 0.000 2.375 193 E HA 0.618 4.968 4.350 0.000 0.000 0.280 193 E C -2.101 174.477 176.600 -0.036 0.000 0.972 193 E CA -0.879 55.399 56.400 -0.203 0.000 0.782 193 E CB 1.805 31.316 29.700 -0.316 0.000 1.229 193 E HN 0.261 nan 8.360 nan 0.000 0.439 194 L N 2.094 123.313 121.223 -0.008 0.000 2.409 194 L HA 0.546 4.886 4.340 0.000 0.000 0.262 194 L C -1.106 175.718 176.870 -0.076 0.000 0.992 194 L CA -1.167 53.658 54.840 -0.024 0.000 0.817 194 L CB 2.113 44.195 42.059 0.040 0.000 1.350 194 L HN 0.455 nan 8.230 nan 0.000 0.411 195 D N 1.717 122.057 120.400 -0.099 0.000 2.198 195 D HA 0.552 5.192 4.640 0.000 0.000 0.245 195 D C -0.731 175.535 176.300 -0.057 0.000 1.079 195 D CA -0.098 53.855 54.000 -0.080 0.000 0.854 195 D CB 2.641 43.392 40.800 -0.082 0.000 1.148 195 D HN 0.023 nan 8.370 nan 0.000 0.456 196 V N 2.002 121.884 119.914 -0.053 0.000 2.709 196 V HA 0.275 4.395 4.120 0.000 0.000 0.308 196 V C -0.081 175.991 176.094 -0.036 0.000 1.062 196 V CA -0.928 61.342 62.300 -0.050 0.000 0.901 196 V CB 2.383 34.157 31.823 -0.083 0.000 1.003 196 V HN 0.252 nan 8.190 nan 0.000 0.425 197 V N 4.126 124.028 119.914 -0.020 0.000 2.348 197 V HA 0.355 4.475 4.120 0.000 0.000 0.270 197 V C 0.806 176.897 176.094 -0.005 0.000 1.037 197 V CA -0.188 62.107 62.300 -0.008 0.000 0.872 197 V CB 1.400 33.224 31.823 0.002 0.000 1.002 197 V HN 1.086 nan 8.190 nan 0.000 0.464 198 T N 2.065 116.621 114.554 0.003 0.000 2.816 198 T HA 0.336 4.686 4.350 0.000 0.000 0.282 198 T C 1.455 176.180 174.700 0.041 0.000 0.993 198 T CA 0.136 62.253 62.100 0.028 0.000 0.994 198 T CB 1.477 70.390 68.868 0.074 0.000 1.025 198 T HN 0.672 nan 8.240 nan 0.000 0.529 199 G N 0.256 109.092 108.800 0.061 0.000 2.776 199 G HA2 -0.087 3.873 3.960 0.000 0.000 0.209 199 G HA3 -0.087 3.873 3.960 0.000 0.000 0.209 199 G C 1.220 176.137 174.900 0.028 0.000 1.145 199 G CA -0.142 44.977 45.100 0.031 0.000 0.791 199 G HN 0.735 nan 8.290 nan 0.000 0.530 200 N N 0.497 119.226 118.700 0.048 0.000 2.422 200 N HA 0.059 4.799 4.740 0.000 0.000 0.181 200 N C 1.745 177.268 175.510 0.022 0.000 1.080 200 N CA 0.932 54.001 53.050 0.031 0.000 0.893 200 N CB 0.411 38.924 38.487 0.043 0.000 0.973 200 N HN 0.388 nan 8.380 nan 0.000 0.456 201 G N 0.947 109.761 108.800 0.023 0.000 2.141 201 G HA2 -0.192 3.768 3.960 0.000 0.000 0.231 201 G HA3 -0.192 3.768 3.960 0.000 0.000 0.231 201 G C -0.668 174.241 174.900 0.015 0.000 0.984 201 G CA -0.256 44.853 45.100 0.015 0.000 0.660 201 G HN 0.222 nan 8.290 nan 0.000 0.525 202 D N 0.319 120.732 120.400 0.022 0.000 2.256 202 D HA 0.452 5.092 4.640 0.000 0.000 0.250 202 D C 0.512 176.816 176.300 0.007 0.000 1.093 202 D CA -0.088 53.923 54.000 0.017 0.000 0.882 202 D CB 2.081 42.899 40.800 0.030 0.000 1.185 202 D HN 0.088 nan 8.370 nan 0.000 0.437 203 V N 2.731 122.646 119.914 0.002 0.000 2.383 203 V HA 0.290 4.410 4.120 0.000 0.000 0.275 203 V C 0.314 176.399 176.094 -0.014 0.000 1.036 203 V CA -0.488 61.808 62.300 -0.006 0.000 0.889 203 V CB 1.411 33.233 31.823 -0.002 0.000 0.985 203 V HN 0.242 nan 8.190 nan 0.000 0.459 204 V N 3.683 123.580 119.914 -0.028 0.000 2.760 204 V HA 0.466 4.586 4.120 0.000 0.000 0.309 204 V C 0.024 176.084 176.094 -0.058 0.000 1.077 204 V CA -0.483 61.793 62.300 -0.040 0.000 0.910 204 V CB 2.525 34.321 31.823 -0.045 0.000 1.008 204 V HN 0.844 nan 8.190 nan 0.000 0.424 205 T N 3.917 118.431 114.554 -0.066 0.000 2.829 205 T HA 0.603 4.953 4.350 0.000 0.000 0.282 205 T C -0.259 174.377 174.700 -0.106 0.000 0.990 205 T CA -0.300 61.747 62.100 -0.089 0.000 1.028 205 T CB 0.769 69.579 68.868 -0.097 0.000 0.951 205 T HN 1.038 nan 8.240 nan 0.000 0.460 206 C N 1.484 120.711 119.300 -0.121 0.000 3.171 206 C HA 1.014 5.474 4.460 0.000 0.000 0.308 206 C C -0.127 174.652 174.990 -0.353 0.000 1.334 206 C CA -0.900 58.025 59.018 -0.155 0.000 1.473 206 C CB 1.020 28.723 27.740 -0.063 0.000 1.866 206 C HN 1.038 nan 8.230 nan 0.000 0.465 207 S N -0.613 114.686 115.700 -0.667 0.000 2.671 207 S HA 0.349 4.819 4.470 0.000 0.000 0.270 207 S C 0.219 174.122 174.600 -1.162 0.000 1.166 207 S CA 0.183 57.521 58.200 -1.437 0.000 0.868 207 S CB 0.958 63.671 63.200 -0.812 0.000 1.190 207 S HN 1.015 nan 8.310 nan 0.000 0.494 208 E N 0.068 119.663 120.200 -1.008 0.000 2.265 208 E HA -0.097 4.253 4.350 0.000 0.000 0.196 208 E C 1.568 178.082 176.600 -0.144 0.000 0.996 208 E CA 1.746 57.937 56.400 -0.348 0.000 0.832 208 E CB -0.399 29.254 29.700 -0.078 0.000 0.756 208 E HN 0.639 nan 8.360 nan 0.000 0.491 209 I N -2.874 117.561 120.570 -0.226 0.000 3.616 209 I HA 0.245 4.415 4.170 0.000 0.000 0.296 209 I C 0.739 176.787 176.117 -0.116 0.000 1.226 209 I CA -0.244 60.982 61.300 -0.124 0.000 1.394 209 I CB 0.374 38.306 38.000 -0.114 0.000 1.171 209 I HN -0.160 nan 8.210 nan 0.000 0.442 210 E N 2.190 122.284 120.200 -0.176 0.000 2.158 210 E HA 0.268 4.618 4.350 0.000 0.000 0.271 210 E C -0.677 175.853 176.600 -0.117 0.000 0.911 210 E CA -0.607 55.715 56.400 -0.131 0.000 0.767 210 E CB 0.694 30.307 29.700 -0.146 0.000 1.120 210 E HN 0.400 nan 8.360 nan 0.000 0.405 211 N N 2.546 121.215 118.700 -0.051 0.000 2.699 211 N HA -0.275 4.465 4.740 0.000 0.000 0.256 211 N C 0.715 176.226 175.510 0.001 0.000 0.993 211 N CA 0.723 53.766 53.050 -0.012 0.000 0.759 211 N CB -0.698 37.770 38.487 -0.032 0.000 0.906 211 N HN 0.556 nan 8.380 nan 0.000 0.541 212 S N -0.761 114.960 115.700 0.036 0.000 2.382 212 S HA -0.222 4.248 4.470 0.000 0.000 0.228 212 S C 1.663 176.411 174.600 0.246 0.000 1.027 212 S CA 1.251 59.515 58.200 0.107 0.000 0.991 212 S CB -0.016 63.319 63.200 0.226 0.000 0.823 212 S HN 0.442 nan 8.310 nan 0.000 0.469 213 E N 1.348 121.680 120.200 0.219 0.000 2.085 213 E HA -0.097 4.253 4.350 0.000 0.000 0.194 213 E C 1.840 178.514 176.600 0.122 0.000 0.994 213 E CA 1.145 57.687 56.400 0.236 0.000 0.801 213 E CB -0.627 29.216 29.700 0.238 0.000 0.743 213 E HN 0.530 nan 8.360 nan 0.000 0.453 214 L N -0.371 120.818 121.223 -0.058 0.000 2.056 214 L HA -0.018 4.322 4.340 0.000 0.000 0.207 214 L C 2.110 178.811 176.870 -0.283 0.000 1.078 214 L CA 1.640 56.146 54.840 -0.558 0.000 0.749 214 L CB -0.839 40.794 42.059 -0.710 0.000 0.901 214 L HN 0.232 nan 8.230 nan 0.000 0.433 215 F N -0.002 119.764 119.950 -0.307 0.000 2.043 215 F HA -0.310 4.217 4.527 0.000 0.000 0.297 215 F C 2.045 177.656 175.800 -0.315 0.000 1.121 215 F CA 2.040 59.822 58.000 -0.363 0.000 1.199 215 F CB -0.685 37.999 39.000 -0.525 0.000 0.968 215 F HN 0.115 nan 8.300 nan 0.000 0.478 216 F N 0.150 120.060 119.950 -0.068 0.000 2.234 216 F HA -0.121 4.406 4.527 0.000 0.000 0.299 216 F C 2.640 178.362 175.800 -0.129 0.000 1.087 216 F CA 1.316 59.237 58.000 -0.131 0.000 1.340 216 F CB -1.306 37.701 39.000 0.013 0.000 1.031 216 F HN -0.086 nan 8.300 nan 0.000 0.500 217 S N -0.078 115.597 115.700 -0.042 0.000 2.345 217 S HA -0.133 4.337 4.470 0.000 0.000 0.220 217 S C 2.360 176.963 174.600 0.005 0.000 1.031 217 S CA 1.317 59.364 58.200 -0.254 0.000 0.996 217 S CB -0.657 62.113 63.200 -0.716 0.000 0.882 217 S HN 0.141 nan 8.310 nan 0.000 0.445 218 V N 2.145 122.042 119.914 -0.029 0.000 2.407 218 V HA -0.076 4.044 4.120 0.000 0.000 0.248 218 V C 0.971 177.112 176.094 0.079 0.000 1.055 218 V CA 1.016 63.369 62.300 0.088 0.000 1.049 218 V CB -0.846 30.948 31.823 -0.048 0.000 0.662 218 V HN 0.390 nan 8.190 nan 0.000 0.455 219 L N 1.233 122.421 121.223 -0.058 0.000 2.500 219 L HA 0.357 4.697 4.340 0.000 0.000 0.272 219 L C 1.414 178.385 176.870 0.167 0.000 1.149 219 L CA 0.826 55.652 54.840 -0.023 0.000 0.897 219 L CB -0.393 41.546 42.059 -0.199 0.000 1.178 219 L HN 0.449 nan 8.230 nan 0.000 0.473 220 G N 2.622 111.558 108.800 0.228 0.000 2.162 220 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 220 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 220 G C 0.836 176.003 174.900 0.444 0.000 0.976 220 G CA 0.197 45.504 45.100 0.345 0.000 0.655 220 G HN 0.913 nan 8.290 nan 0.000 0.533 221 G N 0.013 109.073 108.800 0.433 0.000 3.124 221 G HA2 0.424 4.384 3.960 0.000 0.000 0.212 221 G HA3 0.424 4.384 3.960 0.000 0.000 0.212 221 G C 1.120 176.262 174.900 0.403 0.000 1.181 221 G CA 0.424 45.885 45.100 0.601 0.000 0.803 221 G HN 1.448 nan 8.290 nan 0.000 0.529 222 L N -1.250 120.167 121.223 0.323 0.000 3.839 222 L HA -0.266 4.074 4.340 0.000 0.000 0.416 222 L C 1.726 178.660 176.870 0.106 0.000 1.195 222 L CA 0.314 55.290 54.840 0.226 0.000 0.946 222 L CB -1.911 40.316 42.059 0.280 0.000 1.891 222 L HN 0.618 nan 8.230 nan 0.000 0.963 223 G N -1.578 107.264 108.800 0.070 0.000 2.168 223 G HA2 -0.328 3.632 3.960 0.000 0.000 0.263 223 G HA3 -0.328 3.632 3.960 0.000 0.000 0.263 223 G C 0.767 175.595 174.900 -0.120 0.000 0.977 223 G CA 0.629 45.731 45.100 0.004 0.000 0.659 223 G HN 0.467 nan 8.290 nan 0.000 0.533 224 Q N -1.212 118.385 119.800 -0.340 0.000 2.378 224 Q HA 0.202 4.542 4.340 0.000 0.000 0.205 224 Q C 1.749 177.254 176.000 -0.825 0.000 0.954 224 Q CA 1.136 56.515 55.803 -0.707 0.000 0.901 224 Q CB -0.086 27.994 28.738 -1.097 0.000 0.981 224 Q HN 0.734 nan 8.270 nan 0.000 0.483 225 F N -1.387 118.531 119.950 -0.053 0.000 2.784 225 F HA 0.488 5.015 4.527 0.000 0.000 0.323 225 F C 1.008 176.760 175.800 -0.080 0.000 1.085 225 F CA 0.125 58.089 58.000 -0.060 0.000 1.196 225 F CB 1.081 40.023 39.000 -0.096 0.000 1.053 225 F HN -0.069 nan 8.300 nan 0.000 0.578 226 G N 0.324 109.151 108.800 0.046 0.000 2.328 226 G HA2 0.390 4.350 3.960 0.000 0.000 0.299 226 G HA3 0.390 4.350 3.960 0.000 0.000 0.299 226 G C -1.782 173.121 174.900 0.004 0.000 1.435 226 G CA -1.044 44.061 45.100 0.009 0.000 0.865 226 G HN -0.055 nan 8.290 nan 0.000 0.601 227 I N 0.979 121.549 120.570 -0.000 0.000 2.315 227 I HA 0.337 4.507 4.170 0.000 0.000 0.291 227 I C 0.278 176.394 176.117 -0.002 0.000 1.006 227 I CA -0.598 60.705 61.300 0.005 0.000 1.265 227 I CB 1.369 39.374 38.000 0.009 0.000 1.387 227 I HN 0.259 nan 8.210 nan 0.000 0.475 228 I N 6.098 126.669 120.570 0.001 0.000 2.436 228 I HA 0.014 4.184 4.170 0.000 0.000 0.289 228 I C 1.429 177.539 176.117 -0.011 0.000 1.083 228 I CA 0.230 61.523 61.300 -0.012 0.000 1.372 228 I CB 0.917 38.911 38.000 -0.009 0.000 1.408 228 I HN 0.711 nan 8.210 nan 0.000 0.516 229 T N 2.906 117.449 114.554 -0.018 0.000 3.023 229 T HA 0.165 4.515 4.350 0.000 0.000 0.249 229 T C 0.720 175.409 174.700 -0.018 0.000 1.050 229 T CA -0.143 61.960 62.100 0.005 0.000 1.088 229 T CB 0.336 69.222 68.868 0.030 0.000 0.946 229 T HN 0.573 nan 8.240 nan 0.000 0.480 230 R N 0.270 120.705 120.500 -0.107 0.000 2.626 230 R HA 0.692 5.032 4.340 0.000 0.000 0.274 230 R C -2.198 173.988 176.300 -0.190 0.000 1.031 230 R CA -0.611 55.338 56.100 -0.250 0.000 0.898 230 R CB 1.951 31.921 30.300 -0.551 0.000 1.222 230 R HN 0.259 nan 8.270 nan 0.000 0.455 231 A N 3.594 126.301 122.820 -0.188 0.000 2.393 231 A HA 0.503 4.824 4.320 0.000 0.000 0.306 231 A C -1.162 176.329 177.584 -0.155 0.000 1.050 231 A CA -0.813 51.144 52.037 -0.133 0.000 0.724 231 A CB 1.563 20.508 19.000 -0.090 0.000 1.248 231 A HN 0.789 nan 8.150 nan 0.000 0.424 232 R N 2.519 122.930 120.500 -0.149 0.000 2.230 232 R HA 0.517 4.857 4.340 0.000 0.000 0.337 232 R C -1.396 174.849 176.300 -0.092 0.000 1.063 232 R CA -0.107 55.885 56.100 -0.179 0.000 0.935 232 R CB 0.337 30.425 30.300 -0.353 0.000 1.121 232 R HN 0.473 nan 8.270 nan 0.000 0.486 233 V N 6.431 126.321 119.914 -0.040 0.000 2.439 233 V HA 0.254 4.374 4.120 0.000 0.000 0.282 233 V C 0.540 176.639 176.094 0.009 0.000 1.039 233 V CA -0.785 61.517 62.300 0.002 0.000 0.913 233 V CB 1.598 33.440 31.823 0.032 0.000 0.983 233 V HN 0.689 nan 8.190 nan 0.000 0.460 234 L N 5.482 126.695 121.223 -0.016 0.000 2.439 234 L HA 0.410 4.750 4.340 0.000 0.000 0.269 234 L C -0.327 176.498 176.870 -0.075 0.000 1.179 234 L CA 0.074 54.895 54.840 -0.032 0.000 0.828 234 L CB 0.426 42.444 42.059 -0.068 0.000 1.106 234 L HN 0.417 nan 8.230 nan 0.000 0.467 235 L N 2.435 123.613 121.223 -0.076 0.000 2.354 235 L HA 0.536 4.876 4.340 0.000 0.000 0.264 235 L C -0.521 176.302 176.870 -0.079 0.000 1.008 235 L CA -0.659 54.133 54.840 -0.079 0.000 0.819 235 L CB 2.123 44.122 42.059 -0.100 0.000 1.339 235 L HN 0.649 nan 8.230 nan 0.000 0.420 236 Q N 0.721 120.486 119.800 -0.058 0.000 2.528 236 Q HA 0.636 4.976 4.340 0.000 0.000 0.289 236 Q C -2.859 173.134 176.000 -0.012 0.000 1.091 236 Q CA -2.310 53.465 55.803 -0.046 0.000 0.797 236 Q CB 2.110 30.796 28.738 -0.087 0.000 1.466 236 Q HN 0.193 nan 8.270 nan 0.000 0.436 237 P HA 0.060 nan 4.420 nan 0.000 0.265 237 P C -1.005 176.248 177.300 -0.079 0.000 1.193 237 P CA 0.219 63.313 63.100 -0.010 0.000 0.765 237 P CB 0.520 32.218 31.700 -0.002 0.000 0.823 238 A N 5.777 128.547 122.820 -0.084 0.000 2.454 238 A HA 0.383 4.703 4.320 0.000 0.000 0.260 238 A C -1.940 175.426 177.584 -0.363 0.000 1.106 238 A CA -1.035 50.857 52.037 -0.241 0.000 0.780 238 A CB -1.109 17.851 19.000 -0.067 0.000 1.044 238 A HN 0.407 nan 8.150 nan 0.000 0.498 239 P HA 0.129 nan 4.420 nan 0.000 0.269 239 P C -0.316 176.779 177.300 -0.341 0.000 1.215 239 P CA -0.160 62.623 63.100 -0.528 0.000 0.780 239 P CB 0.539 31.754 31.700 -0.809 0.000 0.898 243 R N 3.548 124.247 120.500 0.330 0.000 2.210 243 R HA 0.406 4.746 4.340 0.000 0.000 0.338 243 R C -1.180 175.264 176.300 0.239 0.000 1.062 243 R CA -0.218 56.084 56.100 0.336 0.000 0.902 243 R CB 0.538 31.034 30.300 0.326 0.000 1.050 243 R HN 0.696 nan 8.270 nan 0.000 0.461 244 W N 7.893 129.202 121.300 0.015 0.000 2.349 244 W HA 0.479 5.139 4.660 0.000 0.000 0.309 244 W C -1.316 175.252 176.519 0.081 0.000 1.083 244 W CA -1.602 55.740 57.345 -0.006 0.000 1.224 244 W CB 0.400 29.911 29.460 0.085 0.000 1.256 244 W HN 0.553 nan 8.180 nan 0.000 0.461 245 I N 6.836 127.595 120.570 0.315 0.000 2.509 245 I HA 0.477 4.647 4.170 0.000 0.000 0.293 245 I C -0.030 176.153 176.117 0.109 0.000 1.020 245 I CA -1.210 60.154 61.300 0.107 0.000 1.088 245 I CB 2.082 40.095 38.000 0.023 0.000 1.267 245 I HN 0.205 nan 8.210 nan 0.000 0.430 246 R N 4.628 125.163 120.500 0.058 0.000 2.513 246 R HA 0.736 5.076 4.340 0.000 0.000 0.301 246 R C -1.270 175.076 176.300 0.076 0.000 0.968 246 R CA -0.717 55.452 56.100 0.114 0.000 0.872 246 R CB 2.570 32.944 30.300 0.125 0.000 1.177 246 R HN 0.522 nan 8.270 nan 0.000 0.444 247 V N -0.323 119.593 119.914 0.003 0.000 2.962 247 V HA 0.710 4.830 4.120 0.000 0.000 0.313 247 V C -0.585 175.585 176.094 0.127 0.000 1.099 247 V CA -0.856 61.356 62.300 -0.147 0.000 0.971 247 V CB 2.234 33.597 31.823 -0.766 0.000 1.028 247 V HN 0.362 nan 8.190 nan 0.000 0.430 248 V N 3.420 123.428 119.914 0.157 0.000 2.513 248 V HA 0.593 4.713 4.120 0.000 0.000 0.299 248 V C -1.043 175.175 176.094 0.207 0.000 1.035 248 V CA -0.360 62.133 62.300 0.321 0.000 0.889 248 V CB 1.523 33.605 31.823 0.432 0.000 0.988 248 V HN 0.871 nan 8.190 nan 0.000 0.440 249 Y N 1.529 121.999 120.300 0.284 0.000 2.429 249 Y HA 0.432 4.982 4.550 0.000 0.000 0.342 249 Y C 1.328 177.373 175.900 0.242 0.000 1.004 249 Y CA -0.546 57.724 58.100 0.282 0.000 1.075 249 Y CB 2.293 40.964 38.460 0.353 0.000 1.214 249 Y HN 0.725 nan 8.280 nan 0.000 0.455 250 T N -3.072 111.696 114.554 0.356 0.000 3.037 250 T HA 0.156 4.506 4.350 0.000 0.000 0.252 250 T C 0.099 175.027 174.700 0.381 0.000 1.073 250 T CA 0.163 62.421 62.100 0.263 0.000 1.091 250 T CB 0.148 69.110 68.868 0.157 0.000 0.935 250 T HN 0.361 nan 8.240 nan 0.000 0.488 251 E N 1.132 121.573 120.200 0.402 0.000 2.109 251 E HA 0.348 4.698 4.350 0.000 0.000 0.278 251 E C -0.220 176.556 176.600 0.293 0.000 0.954 251 E CA -0.765 55.834 56.400 0.332 0.000 0.779 251 E CB 1.358 31.201 29.700 0.238 0.000 1.093 251 E HN 0.187 nan 8.360 nan 0.000 0.401 252 F N 3.778 123.736 119.950 0.013 0.000 2.171 252 F HA -0.208 4.319 4.527 0.000 0.000 0.300 252 F C 1.682 177.449 175.800 -0.055 0.000 1.090 252 F CA 1.984 59.805 58.000 -0.297 0.000 1.293 252 F CB 0.273 39.043 39.000 -0.383 0.000 1.013 252 F HN 0.413 nan 8.300 nan 0.000 0.486 253 D N -0.365 120.061 120.400 0.042 0.000 2.144 253 D HA -0.211 4.429 4.640 0.000 0.000 0.199 253 D C 1.693 177.943 176.300 -0.084 0.000 0.984 253 D CA 1.676 55.650 54.000 -0.044 0.000 0.834 253 D CB -0.967 39.861 40.800 0.046 0.000 0.955 253 D HN 0.474 nan 8.370 nan 0.000 0.465 254 E N -0.764 119.441 120.200 0.008 0.000 2.072 254 E HA -0.058 4.292 4.350 0.000 0.000 0.190 254 E C 1.812 178.327 176.600 -0.141 0.000 0.982 254 E CA 0.386 56.812 56.400 0.042 0.000 0.803 254 E CB -0.336 29.496 29.700 0.220 0.000 0.755 254 E HN 0.271 nan 8.360 nan 0.000 0.453 255 F N 2.305 121.959 119.950 -0.494 0.000 2.065 255 F HA -0.276 4.251 4.527 0.000 0.000 0.298 255 F C 2.517 177.940 175.800 -0.629 0.000 1.112 255 F CA 2.299 59.712 58.000 -0.979 0.000 1.212 255 F CB -0.791 37.779 39.000 -0.717 0.000 0.975 255 F HN -0.020 nan 8.300 nan 0.000 0.476 256 T N -1.909 112.193 114.554 -0.754 0.000 2.857 256 T HA -0.146 4.205 4.350 0.000 0.000 0.266 256 T C 1.820 176.315 174.700 -0.342 0.000 1.048 256 T CA 1.286 62.986 62.100 -0.666 0.000 1.139 256 T CB -0.704 67.795 68.868 -0.615 0.000 0.874 256 T HN 0.476 nan 8.240 nan 0.000 0.455 257 Q N 0.980 120.636 119.800 -0.240 0.000 2.061 257 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 257 Q C 2.145 178.111 176.000 -0.056 0.000 0.984 257 Q CA 1.857 57.600 55.803 -0.100 0.000 0.846 257 Q CB -0.234 28.466 28.738 -0.063 0.000 0.902 257 Q HN 0.504 nan 8.270 nan 0.000 0.421 258 D N 0.111 120.442 120.400 -0.114 0.000 2.117 258 D HA -0.114 4.526 4.640 0.000 0.000 0.198 258 D C 1.726 178.034 176.300 0.013 0.000 0.982 258 D CA 1.357 55.362 54.000 0.008 0.000 0.828 258 D CB -0.248 40.581 40.800 0.048 0.000 0.967 258 D HN 0.278 nan 8.370 nan 0.000 0.464 259 A N 0.782 123.449 122.820 -0.254 0.000 1.902 259 A HA -0.198 4.122 4.320 0.000 0.000 0.217 259 A C 2.043 179.504 177.584 -0.205 0.000 1.181 259 A CA 1.506 53.367 52.037 -0.292 0.000 0.623 259 A CB -0.548 18.119 19.000 -0.554 0.000 0.818 259 A HN 0.199 nan 8.150 nan 0.000 0.443 260 E N -1.752 118.356 120.200 -0.153 0.000 2.106 260 E HA -0.226 4.124 4.350 0.000 0.000 0.192 260 E C 1.723 178.312 176.600 -0.018 0.000 0.984 260 E CA 1.214 57.553 56.400 -0.103 0.000 0.806 260 E CB -0.234 29.439 29.700 -0.044 0.000 0.750 260 E HN 0.861 nan 8.360 nan 0.000 0.458 261 W N 1.333 122.568 121.300 -0.110 0.000 2.358 261 W HA -0.144 4.516 4.660 0.000 0.000 0.303 261 W C 1.671 178.156 176.519 -0.056 0.000 1.208 261 W CA 1.240 58.550 57.345 -0.059 0.000 1.274 261 W CB -0.213 29.228 29.460 -0.032 0.000 1.138 261 W HN -0.040 nan 8.180 nan 0.000 0.515 262 L N 0.387 121.591 121.223 -0.032 0.000 2.056 262 L HA -0.198 4.142 4.340 0.000 0.000 0.207 262 L C 2.486 179.143 176.870 -0.355 0.000 1.078 262 L CA 1.582 56.291 54.840 -0.219 0.000 0.749 262 L CB -1.223 40.828 42.059 -0.013 0.000 0.901 262 L HN 0.062 nan 8.230 nan 0.000 0.433 263 V N -5.515 114.170 119.914 -0.381 0.000 3.141 263 V HA -0.048 4.072 4.120 0.000 0.000 0.265 263 V C 1.869 177.899 176.094 -0.107 0.000 1.126 263 V CA 1.455 63.509 62.300 -0.411 0.000 1.141 263 V CB -0.029 31.528 31.823 -0.444 0.000 0.743 263 V HN 0.278 nan 8.190 nan 0.000 0.492 264 S N -0.525 115.061 115.700 -0.189 0.000 2.575 264 S HA 0.185 4.655 4.470 0.000 0.000 0.215 264 S C 0.829 175.304 174.600 -0.208 0.000 0.966 264 S CA -0.132 57.978 58.200 -0.151 0.000 0.911 264 S CB -0.210 62.907 63.200 -0.138 0.000 0.780 264 S HN 0.620 nan 8.310 nan 0.000 0.514 265 Q N 2.137 121.753 119.800 -0.307 0.000 2.421 265 Q HA 0.218 4.558 4.340 0.000 0.000 0.255 265 Q C 0.163 176.072 176.000 -0.150 0.000 1.013 265 Q CA 0.297 55.906 55.803 -0.322 0.000 0.895 265 Q CB 0.351 28.824 28.738 -0.441 0.000 1.271 265 Q HN 0.275 nan 8.270 nan 0.000 0.460 266 K N 1.923 122.247 120.400 -0.127 0.000 2.485 266 K HA -0.002 4.318 4.320 0.000 0.000 0.277 266 K C -0.059 176.502 176.600 -0.065 0.000 0.990 266 K CA -0.162 56.079 56.287 -0.076 0.000 0.994 266 K CB 0.274 32.739 32.500 -0.058 0.000 0.906 266 K HN 0.435 nan 8.250 nan 0.000 0.488 267 N N 3.249 121.914 118.700 -0.059 0.000 2.292 267 N HA -0.113 4.627 4.740 0.000 0.000 0.258 267 N C 0.054 175.534 175.510 -0.049 0.000 1.261 267 N CA 0.717 53.725 53.050 -0.070 0.000 0.845 267 N CB 0.242 38.683 38.487 -0.076 0.000 1.064 267 N HN 0.508 nan 8.380 nan 0.000 0.471 268 E N -1.298 118.874 120.200 -0.047 0.000 3.170 268 E HA -0.224 4.126 4.350 0.000 0.000 0.284 268 E C 0.502 177.074 176.600 -0.046 0.000 0.967 268 E CA 1.367 57.750 56.400 -0.029 0.000 0.919 268 E CB -1.667 28.031 29.700 -0.002 0.000 1.469 268 E HN 0.679 nan 8.360 nan 0.000 0.444 269 S N -2.902 112.760 115.700 -0.064 0.000 2.535 269 S HA 0.397 4.867 4.470 0.000 0.000 0.214 269 S C 1.100 175.616 174.600 -0.140 0.000 0.980 269 S CA 0.433 58.580 58.200 -0.087 0.000 0.907 269 S CB 0.902 64.052 63.200 -0.083 0.000 0.790 269 S HN 0.161 nan 8.310 nan 0.000 0.510 270 S N -0.735 114.879 115.700 -0.143 0.000 3.923 270 S HA 0.720 5.190 4.470 0.000 0.000 0.280 270 S C -1.111 173.347 174.600 -0.237 0.000 1.070 270 S CA -0.825 57.234 58.200 -0.235 0.000 1.300 270 S CB -0.162 62.955 63.200 -0.139 0.000 1.322 270 S HN 0.273 nan 8.310 nan 0.000 0.762 271 F N 1.970 121.947 119.950 0.045 0.000 2.375 271 F HA 0.362 4.889 4.527 0.000 0.000 0.313 271 F C 1.476 177.371 175.800 0.157 0.000 1.176 271 F CA -0.072 57.977 58.000 0.081 0.000 1.142 271 F CB 0.477 39.524 39.000 0.078 0.000 1.275 271 F HN 0.480 nan 8.300 nan 0.000 0.544 272 D N -0.598 119.973 120.400 0.285 0.000 2.398 272 D HA 0.001 4.641 4.640 0.000 0.000 0.210 272 D C -0.987 175.525 176.300 0.353 0.000 1.094 272 D CA 0.661 54.712 54.000 0.084 0.000 0.839 272 D CB 0.560 40.954 40.800 -0.676 0.000 0.963 272 D HN 0.372 nan 8.370 nan 0.000 0.506 273 Y N 0.545 121.037 120.300 0.319 0.000 2.436 273 Y HA 0.340 4.890 4.550 0.000 0.000 0.327 273 Y C -2.125 173.874 175.900 0.165 0.000 1.138 273 Y CA -0.789 57.510 58.100 0.332 0.000 1.042 273 Y CB 1.287 39.924 38.460 0.295 0.000 1.302 273 Y HN -0.340 nan 8.280 nan 0.000 0.439 274 V N 6.418 126.166 119.914 -0.276 0.000 2.569 274 V HA 0.524 4.644 4.120 0.000 0.000 0.301 274 V C -0.755 174.931 176.094 -0.681 0.000 1.044 274 V CA -0.639 61.420 62.300 -0.403 0.000 0.874 274 V CB 1.687 33.171 31.823 -0.565 0.000 1.002 274 V HN 0.862 nan 8.190 nan 0.000 0.424 275 E N 1.903 121.789 120.200 -0.524 0.000 2.431 275 E HA 0.866 5.216 4.350 0.000 0.000 0.268 275 E C -0.360 176.267 176.600 0.044 0.000 0.953 275 E CA -0.891 55.145 56.400 -0.607 0.000 0.810 275 E CB 2.994 32.328 29.700 -0.609 0.000 1.369 275 E HN 0.814 nan 8.360 nan 0.000 0.440 276 G N 0.296 109.301 108.800 0.342 0.000 2.692 276 G HA2 0.656 4.616 3.960 0.000 0.000 0.291 276 G HA3 0.656 4.616 3.960 0.000 0.000 0.291 276 G C -1.710 173.571 174.900 0.635 0.000 1.423 276 G CA -0.700 44.739 45.100 0.566 0.000 0.843 276 G HN 0.377 nan 8.290 nan 0.000 0.486 277 F N -1.248 118.919 119.950 0.362 0.000 2.668 277 F HA 0.778 5.305 4.527 0.000 0.000 0.309 277 F C -1.145 174.722 175.800 0.112 0.000 1.117 277 F CA -1.493 56.640 58.000 0.221 0.000 0.951 277 F CB 1.367 40.483 39.000 0.195 0.000 1.323 277 F HN 0.436 nan 8.300 nan 0.000 0.451 278 V N 2.880 122.906 119.914 0.187 0.000 2.472 278 V HA 0.630 4.750 4.120 0.000 0.000 0.290 278 V C -0.533 175.673 176.094 0.187 0.000 1.037 278 V CA -0.590 61.657 62.300 -0.090 0.000 0.908 278 V CB 1.122 32.655 31.823 -0.483 0.000 0.985 278 V HN 0.778 nan 8.190 nan 0.000 0.454 279 F N 2.491 122.373 119.950 -0.112 0.000 2.603 279 F HA 0.854 5.381 4.527 0.000 0.000 0.317 279 F C -0.584 175.127 175.800 -0.150 0.000 1.066 279 F CA -1.521 56.451 58.000 -0.045 0.000 0.941 279 F CB 1.115 40.168 39.000 0.088 0.000 1.291 279 F HN 0.194 nan 8.300 nan 0.000 0.472 280 V N 2.221 122.110 119.914 -0.042 0.000 2.637 280 V HA 0.052 4.172 4.120 0.000 0.000 0.296 280 V C 0.171 176.147 176.094 -0.196 0.000 1.046 280 V CA -0.362 61.836 62.300 -0.171 0.000 1.066 280 V CB 0.757 32.495 31.823 -0.141 0.000 0.968 280 V HN 0.786 nan 8.190 nan 0.000 0.483 281 N N 3.733 122.307 118.700 -0.211 0.000 2.739 281 N HA 0.435 5.175 4.740 0.000 0.000 0.266 281 N C -0.094 175.336 175.510 -0.132 0.000 1.168 281 N CA 0.810 53.828 53.050 -0.055 0.000 1.055 281 N CB 0.017 38.482 38.487 -0.036 0.000 1.393 281 N HN 0.953 nan 8.380 nan 0.000 0.514 282 G N -0.142 108.282 108.800 -0.626 0.000 2.322 282 G HA2 0.464 4.424 3.960 0.000 0.000 0.295 282 G HA3 0.464 4.424 3.960 0.000 0.000 0.295 282 G C -0.448 173.335 174.900 -1.861 0.000 1.369 282 G CA -0.149 44.290 45.100 -1.101 0.000 0.821 282 G HN 0.343 nan 8.290 nan 0.000 0.536 283 A N -0.525 121.508 122.820 -1.312 0.000 2.251 283 A HA 0.350 4.670 4.320 0.000 0.000 0.209 283 A C 0.893 178.140 177.584 -0.561 0.000 1.187 283 A CA 0.877 52.296 52.037 -1.030 0.000 0.823 283 A CB -0.249 18.545 19.000 -0.344 0.000 0.846 283 A HN 0.656 nan 8.150 nan 0.000 0.486 284 D N 1.389 121.514 120.400 -0.458 0.000 2.661 284 D HA -0.055 4.585 4.640 0.000 0.000 0.244 284 D C -1.299 174.847 176.300 -0.256 0.000 1.196 284 D CA -0.858 52.976 54.000 -0.278 0.000 0.881 284 D CB 0.904 41.566 40.800 -0.230 0.000 1.141 284 D HN 0.187 nan 8.370 nan 0.000 0.530 285 P HA -0.107 nan 4.420 nan 0.000 0.225 285 P C 1.254 178.470 177.300 -0.139 0.000 1.148 285 P CA 0.386 63.397 63.100 -0.149 0.000 0.779 285 P CB 0.458 32.097 31.700 -0.102 0.000 0.780 286 V N -0.454 119.383 119.914 -0.129 0.000 3.085 286 V HA 0.118 4.239 4.120 0.000 0.000 0.245 286 V C 1.892 177.921 176.094 -0.109 0.000 1.114 286 V CA 1.158 63.388 62.300 -0.116 0.000 1.108 286 V CB -0.531 31.238 31.823 -0.090 0.000 0.798 286 V HN 0.119 nan 8.190 nan 0.000 0.471 287 N N -0.245 118.388 118.700 -0.111 0.000 2.317 287 N HA 0.164 4.904 4.740 0.000 0.000 0.199 287 N C 0.900 176.371 175.510 -0.066 0.000 1.145 287 N CA 0.804 53.809 53.050 -0.075 0.000 0.882 287 N CB 1.488 39.934 38.487 -0.068 0.000 1.113 287 N HN 0.466 nan 8.380 nan 0.000 0.486 288 G N 0.180 108.881 108.800 -0.165 0.000 2.736 288 G HA2 0.253 4.213 3.960 0.000 0.000 0.229 288 G HA3 0.253 4.213 3.960 0.000 0.000 0.229 288 G C 0.487 175.270 174.900 -0.196 0.000 1.380 288 G CA -0.300 44.667 45.100 -0.223 0.000 1.040 288 G HN 0.268 nan 8.290 nan 0.000 0.568 289 W N -0.845 120.309 121.300 -0.245 0.000 2.465 289 W HA 0.174 4.834 4.660 0.000 0.000 0.268 289 W C -1.245 174.899 176.519 -0.624 0.000 1.242 289 W CA 0.884 57.781 57.345 -0.746 0.000 1.248 289 W CB -1.686 26.811 29.460 -1.605 0.000 1.118 289 W HN 0.292 nan 8.180 nan 0.000 0.587 290 P HA -0.163 nan 4.420 nan 0.000 0.223 290 P C 1.692 178.877 177.300 -0.192 0.000 1.144 290 P CA 2.991 66.035 63.100 -0.094 0.000 0.783 290 P CB -0.397 31.244 31.700 -0.099 0.000 0.771 291 T N -4.915 109.491 114.554 -0.248 0.000 3.118 291 T HA 0.010 4.360 4.350 0.000 0.000 0.260 291 T C 1.542 176.057 174.700 -0.308 0.000 1.139 291 T CA 0.475 62.421 62.100 -0.258 0.000 1.085 291 T CB -0.978 67.746 68.868 -0.238 0.000 0.934 291 T HN -0.099 nan 8.240 nan 0.000 0.518 292 V N 1.175 120.850 119.914 -0.399 0.000 2.374 292 V HA 0.169 4.289 4.120 0.000 0.000 0.241 292 V C -1.549 174.174 176.094 -0.618 0.000 1.034 292 V CA -0.010 62.025 62.300 -0.442 0.000 1.037 292 V CB -1.084 30.377 31.823 -0.604 0.000 0.682 292 V HN 0.350 nan 8.190 nan 0.000 0.463 293 P HA 0.033 nan 4.420 nan 0.000 0.267 293 P C 0.450 177.463 177.300 -0.478 0.000 1.201 293 P CA 0.925 63.534 63.100 -0.818 0.000 0.775 293 P CB 0.412 31.772 31.700 -0.567 0.000 0.854 294 L N 0.476 121.451 121.223 -0.413 0.000 2.609 294 L HA 0.186 4.526 4.340 0.000 0.000 0.230 294 L C 0.618 177.393 176.870 -0.159 0.000 1.087 294 L CA 0.166 54.764 54.840 -0.404 0.000 0.874 294 L CB -0.236 41.508 42.059 -0.525 0.000 1.114 294 L HN 0.612 nan 8.230 nan 0.000 0.488 295 H N -4.242 114.776 119.070 -0.087 0.000 2.980 295 H HA 0.360 4.916 4.556 0.000 0.000 0.367 295 H C -2.470 172.861 175.328 0.005 0.000 1.206 295 H CA -1.980 54.054 56.048 -0.023 0.000 1.126 295 H CB 0.307 30.080 29.762 0.018 0.000 1.838 295 H HN -0.335 nan 8.280 nan 0.000 0.552 296 P HA -0.049 nan 4.420 nan 0.000 0.230 296 P C -0.204 177.191 177.300 0.157 0.000 1.158 296 P CA 0.819 63.984 63.100 0.107 0.000 0.769 296 P CB 0.333 32.088 31.700 0.091 0.000 0.807 297 D N -1.854 118.765 120.400 0.366 0.000 2.340 297 D HA 0.012 4.652 4.640 0.000 0.000 0.217 297 D C 0.281 176.756 176.300 0.291 0.000 1.081 297 D CA 0.312 54.500 54.000 0.313 0.000 0.842 297 D CB -0.016 40.952 40.800 0.281 0.000 0.934 297 D HN 0.407 nan 8.370 nan 0.000 0.511 298 H N 0.662 119.693 119.070 -0.066 0.000 3.108 298 H HA 0.275 4.831 4.556 0.000 0.000 0.329 298 H C -0.769 174.557 175.328 -0.002 0.000 0.978 298 H CA -0.304 55.706 56.048 -0.064 0.000 1.413 298 H CB 1.397 31.079 29.762 -0.133 0.000 1.670 298 H HN -0.171 nan 8.280 nan 0.000 0.512 299 E N 3.057 123.264 120.200 0.012 0.000 2.239 299 E HA 0.118 4.468 4.350 0.000 0.000 0.261 299 E C -0.991 175.626 176.600 0.029 0.000 1.016 299 E CA -1.094 55.298 56.400 -0.015 0.000 0.882 299 E CB 2.007 31.739 29.700 0.053 0.000 1.190 299 E HN 0.309 nan 8.360 nan 0.000 0.415 300 F N 2.012 121.902 119.950 -0.099 0.000 2.445 300 F HA 0.081 4.608 4.527 0.000 0.000 0.359 300 F C -0.038 175.650 175.800 -0.186 0.000 1.101 300 F CA -0.275 57.682 58.000 -0.071 0.000 1.177 300 F CB 0.539 39.434 39.000 -0.175 0.000 1.110 300 F HN 0.194 nan 8.300 nan 0.000 0.522 301 D N 8.832 129.075 120.400 -0.263 0.000 2.443 301 D HA 0.289 4.929 4.640 0.000 0.000 0.221 301 D C -1.900 174.204 176.300 -0.326 0.000 1.097 301 D CA -2.562 51.307 54.000 -0.218 0.000 0.865 301 D CB 1.341 42.047 40.800 -0.158 0.000 1.034 301 D HN 0.240 nan 8.370 nan 0.000 0.511 302 P HA -0.067 nan 4.420 nan 0.000 0.237 302 P C 1.030 178.204 177.300 -0.210 0.000 1.178 302 P CA 0.644 63.488 63.100 -0.426 0.000 0.766 302 P CB -0.103 30.951 31.700 -1.077 0.000 0.876 303 T N -3.260 111.201 114.554 -0.155 0.000 3.113 303 T HA 0.017 4.367 4.350 0.000 0.000 0.263 303 T C 1.613 176.260 174.700 -0.088 0.000 1.143 303 T CA 0.310 62.358 62.100 -0.088 0.000 1.090 303 T CB -0.496 68.336 68.868 -0.061 0.000 0.922 303 T HN -0.056 nan 8.240 nan 0.000 0.521 304 R N 0.527 120.948 120.500 -0.132 0.000 2.275 304 R HA 0.366 4.706 4.340 0.000 0.000 0.199 304 R C 0.693 176.946 176.300 -0.078 0.000 0.989 304 R CA -0.052 55.975 56.100 -0.121 0.000 1.016 304 R CB -0.699 29.491 30.300 -0.183 0.000 0.918 304 R HN 0.449 nan 8.270 nan 0.000 0.473 305 L N 2.832 124.024 121.223 -0.051 0.000 2.397 305 L HA 0.212 4.552 4.340 0.000 0.000 0.271 305 L C -1.906 174.972 176.870 0.014 0.000 1.148 305 L CA -1.903 52.945 54.840 0.013 0.000 0.825 305 L CB 0.341 42.442 42.059 0.071 0.000 1.117 305 L HN -0.186 nan 8.230 nan 0.000 0.456 306 P HA 0.021 nan 4.420 nan 0.000 0.269 306 P C 0.034 177.353 177.300 0.032 0.000 1.215 306 P CA -0.408 62.706 63.100 0.023 0.000 0.780 306 P CB 0.531 32.249 31.700 0.030 0.000 0.898 307 Q N 0.832 120.647 119.800 0.026 0.000 2.226 307 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 307 Q C 1.393 177.413 176.000 0.034 0.000 0.975 307 Q CA 1.787 57.608 55.803 0.030 0.000 0.866 307 Q CB -0.430 28.321 28.738 0.022 0.000 0.915 307 Q HN 0.602 nan 8.270 nan 0.000 0.440 308 S N -1.270 114.451 115.700 0.034 0.000 2.634 308 S HA 0.071 4.541 4.470 0.000 0.000 0.221 308 S C 0.837 175.461 174.600 0.041 0.000 0.952 308 S CA -0.573 57.649 58.200 0.035 0.000 0.930 308 S CB -0.483 62.737 63.200 0.035 0.000 0.780 308 S HN 0.146 nan 8.310 nan 0.000 0.498 309 C N 2.919 122.245 119.300 0.045 0.000 2.597 309 C HA 0.480 4.940 4.460 0.000 0.000 0.412 309 C C 1.777 176.780 174.990 0.021 0.000 1.348 309 C CA -0.285 58.758 59.018 0.041 0.000 1.769 309 C CB -0.970 26.798 27.740 0.048 0.000 2.641 309 C HN 0.699 nan 8.230 nan 0.000 0.612 310 G N 2.232 111.035 108.800 0.006 0.000 2.631 310 G HA2 0.253 4.213 3.960 0.000 0.000 0.271 310 G HA3 0.253 4.213 3.960 0.000 0.000 0.271 310 G C 1.043 175.906 174.900 -0.063 0.000 1.302 310 G CA -0.153 44.936 45.100 -0.019 0.000 1.002 310 G HN 0.780 nan 8.290 nan 0.000 0.519 311 S N -1.520 114.135 115.700 -0.075 0.000 2.419 311 S HA -0.028 4.442 4.470 0.000 0.000 0.233 311 S C 1.068 175.564 174.600 -0.172 0.000 1.016 311 S CA 1.198 59.339 58.200 -0.098 0.000 0.974 311 S CB -0.411 62.739 63.200 -0.084 0.000 0.786 311 S HN 0.872 nan 8.310 nan 0.000 0.492 312 V N -1.191 118.573 119.914 -0.251 0.000 3.001 312 V HA 0.770 4.890 4.120 0.000 0.000 0.314 312 V C -0.844 174.808 176.094 -0.737 0.000 1.099 312 V CA -1.150 60.875 62.300 -0.459 0.000 0.989 312 V CB 1.761 33.330 31.823 -0.423 0.000 1.040 312 V HN 0.113 nan 8.190 nan 0.000 0.434 313 L N 1.716 122.273 121.223 -1.110 0.000 2.283 313 L HA 0.723 5.063 4.340 0.000 0.000 0.259 313 L C -1.405 174.586 176.870 -1.465 0.000 1.027 313 L CA -0.722 53.372 54.840 -1.242 0.000 0.828 313 L CB 2.485 43.852 42.059 -1.153 0.000 1.380 313 L HN 0.711 nan 8.230 nan 0.000 0.425 314 Y N -0.357 119.713 120.300 -0.383 0.000 2.446 314 Y HA 0.534 5.084 4.550 0.000 0.000 0.345 314 Y C -0.342 175.457 175.900 -0.168 0.000 0.984 314 Y CA -0.803 57.006 58.100 -0.486 0.000 1.058 314 Y CB 1.944 39.825 38.460 -0.965 0.000 1.220 314 Y HN 0.406 nan 8.280 nan 0.000 0.455 315 C N 4.988 124.141 119.300 -0.245 0.000 2.369 315 C HA 0.730 5.190 4.460 0.000 0.000 0.322 315 C C -1.049 173.941 174.990 -0.001 0.000 1.258 315 C CA -0.817 58.058 59.018 -0.238 0.000 1.487 315 C CB -0.323 26.737 27.740 -1.134 0.000 2.165 315 C HN 0.794 nan 8.230 nan 0.000 0.483 316 L N 5.377 126.805 121.223 0.342 0.000 2.264 316 L HA 0.577 4.917 4.340 0.000 0.000 0.289 316 L C -0.044 176.970 176.870 0.239 0.000 1.044 316 L CA 0.582 55.666 54.840 0.407 0.000 0.807 316 L CB 0.944 43.288 42.059 0.476 0.000 1.192 316 L HN 0.819 nan 8.230 nan 0.000 0.425 317 E N 5.366 125.725 120.200 0.265 0.000 2.158 317 E HA 0.574 4.924 4.350 0.000 0.000 0.271 317 E C -1.665 175.132 176.600 0.329 0.000 0.911 317 E CA -0.561 56.062 56.400 0.373 0.000 0.767 317 E CB 1.036 31.102 29.700 0.610 0.000 1.120 317 E HN 0.680 nan 8.360 nan 0.000 0.405 318 L N 2.748 124.125 121.223 0.257 0.000 2.354 318 L HA 0.765 5.105 4.340 0.000 0.000 0.264 318 L C 0.039 177.024 176.870 0.192 0.000 1.008 318 L CA -1.068 53.791 54.840 0.032 0.000 0.819 318 L CB 2.357 44.031 42.059 -0.641 0.000 1.339 318 L HN 0.655 nan 8.230 nan 0.000 0.420 319 G N 1.724 110.658 108.800 0.223 0.000 2.687 319 G HA2 0.619 4.579 3.960 0.000 0.000 0.301 319 G HA3 0.619 4.579 3.960 0.000 0.000 0.301 319 G C -2.155 172.895 174.900 0.251 0.000 1.416 319 G CA -0.355 44.764 45.100 0.031 0.000 1.005 319 G HN 0.309 nan 8.290 nan 0.000 0.509 320 L N 2.293 123.679 121.223 0.270 0.000 2.325 320 L HA 0.502 4.842 4.340 0.000 0.000 0.281 320 L C 0.028 177.088 176.870 0.316 0.000 1.004 320 L CA -0.741 54.281 54.840 0.302 0.000 0.823 320 L CB 0.823 43.088 42.059 0.342 0.000 1.236 320 L HN 0.669 nan 8.230 nan 0.000 0.415 321 H N 4.869 124.048 119.070 0.181 0.000 2.683 321 H HA 0.431 4.987 4.556 0.000 0.000 0.339 321 H C -1.070 174.381 175.328 0.205 0.000 1.081 321 H CA 0.096 56.214 56.048 0.115 0.000 1.432 321 H CB 0.705 30.510 29.762 0.072 0.000 1.462 321 H HN 0.665 nan 8.280 nan 0.000 0.557 322 Y N -0.749 119.633 120.300 0.136 0.000 2.705 322 Y HA 0.527 5.077 4.550 0.000 0.000 0.332 322 Y C -1.064 174.860 175.900 0.041 0.000 1.221 322 Y CA -1.611 56.534 58.100 0.076 0.000 1.059 322 Y CB 1.003 39.503 38.460 0.066 0.000 1.298 322 Y HN 0.374 nan 8.280 nan 0.000 0.459 323 R N 0.838 121.472 120.500 0.223 0.000 2.486 323 R HA 0.206 4.546 4.340 0.000 0.000 0.286 323 R C 0.058 176.437 176.300 0.132 0.000 0.999 323 R CA -0.202 55.953 56.100 0.092 0.000 0.993 323 R CB 0.895 31.245 30.300 0.084 0.000 1.084 323 R HN 0.914 nan 8.270 nan 0.000 0.487 324 D N 0.118 120.544 120.400 0.043 0.000 2.309 324 D HA -0.161 4.479 4.640 0.000 0.000 0.212 324 D C 1.059 177.415 176.300 0.093 0.000 0.968 324 D CA 1.172 55.209 54.000 0.062 0.000 0.882 324 D CB -0.008 40.803 40.800 0.018 0.000 0.918 324 D HN 0.422 nan 8.370 nan 0.000 0.503 325 S N -1.088 114.662 115.700 0.083 0.000 2.528 325 S HA -0.010 4.460 4.470 0.000 0.000 0.219 325 S C 0.467 175.113 174.600 0.076 0.000 0.985 325 S CA -0.458 57.782 58.200 0.067 0.000 0.914 325 S CB -0.183 63.045 63.200 0.046 0.000 0.776 325 S HN -0.033 nan 8.310 nan 0.000 0.526 326 D N 3.297 123.765 120.400 0.114 0.000 2.455 326 D HA 0.152 4.792 4.640 0.000 0.000 0.241 326 D C 0.109 176.443 176.300 0.057 0.000 1.138 326 D CA 0.436 54.489 54.000 0.089 0.000 0.877 326 D CB 1.227 42.102 40.800 0.124 0.000 1.187 326 D HN 0.323 nan 8.370 nan 0.000 0.451 327 S N 2.310 118.023 115.700 0.021 0.000 2.537 327 S HA -0.024 4.446 4.470 0.000 0.000 0.286 327 S C 1.346 175.931 174.600 -0.026 0.000 1.299 327 S CA -0.490 57.713 58.200 0.005 0.000 1.067 327 S CB 0.344 63.543 63.200 -0.001 0.000 0.864 327 S HN 0.258 nan 8.310 nan 0.000 0.494 328 N N 3.252 121.941 118.700 -0.019 0.000 2.166 328 N HA -0.128 4.612 4.740 0.000 0.000 0.186 328 N C 2.020 177.495 175.510 -0.059 0.000 1.019 328 N CA 1.634 54.655 53.050 -0.048 0.000 0.856 328 N CB -0.607 37.873 38.487 -0.011 0.000 0.993 328 N HN 0.841 nan 8.380 nan 0.000 0.426 329 S N 0.052 115.731 115.700 -0.035 0.000 2.382 329 S HA -0.082 4.388 4.470 0.000 0.000 0.228 329 S C 2.035 176.611 174.600 -0.041 0.000 1.027 329 S CA 1.395 59.577 58.200 -0.031 0.000 0.991 329 S CB -0.841 62.349 63.200 -0.018 0.000 0.823 329 S HN 0.187 nan 8.310 nan 0.000 0.469 330 T N 3.074 117.602 114.554 -0.043 0.000 2.746 330 T HA 0.043 4.393 4.350 0.000 0.000 0.267 330 T C 1.736 176.390 174.700 -0.077 0.000 1.039 330 T CA 1.387 63.460 62.100 -0.046 0.000 1.142 330 T CB -0.356 68.493 68.868 -0.033 0.000 0.866 330 T HN 0.288 nan 8.240 nan 0.000 0.444 331 I N 1.814 122.303 120.570 -0.135 0.000 2.252 331 I HA -0.099 4.071 4.170 0.000 0.000 0.245 331 I C 2.130 178.161 176.117 -0.144 0.000 1.102 331 I CA 1.248 62.416 61.300 -0.220 0.000 1.385 331 I CB -1.217 36.474 38.000 -0.515 0.000 1.064 331 I HN 0.170 nan 8.210 nan 0.000 0.414 332 D N 1.289 121.627 120.400 -0.103 0.000 2.104 332 D HA -0.182 4.458 4.640 0.000 0.000 0.194 332 D C 2.220 178.507 176.300 -0.022 0.000 0.994 332 D CA 1.261 55.232 54.000 -0.048 0.000 0.830 332 D CB -0.132 40.648 40.800 -0.033 0.000 0.959 332 D HN 0.321 nan 8.370 nan 0.000 0.452 333 K N 0.176 120.560 120.400 -0.027 0.000 2.097 333 K HA -0.111 4.209 4.320 0.000 0.000 0.206 333 K C 2.199 178.794 176.600 -0.008 0.000 1.049 333 K CA 0.730 57.010 56.287 -0.011 0.000 0.933 333 K CB 0.016 32.508 32.500 -0.014 0.000 0.717 333 K HN 0.007 nan 8.250 nan 0.000 0.442 334 R N 0.947 121.430 120.500 -0.028 0.000 2.073 334 R HA -0.117 4.223 4.340 0.000 0.000 0.234 334 R C 2.046 178.335 176.300 -0.019 0.000 1.134 334 R CA 1.240 57.319 56.100 -0.035 0.000 0.952 334 R CB -0.211 30.055 30.300 -0.058 0.000 0.850 334 R HN -0.050 nan 8.270 nan 0.000 0.433 335 V N 1.653 121.571 119.914 0.007 0.000 2.343 335 V HA -0.204 3.916 4.120 0.000 0.000 0.247 335 V C 2.224 178.394 176.094 0.127 0.000 1.051 335 V CA 1.876 64.231 62.300 0.091 0.000 1.036 335 V CB -0.457 31.435 31.823 0.115 0.000 0.654 335 V HN 0.382 nan 8.190 nan 0.000 0.451 336 E N -0.009 120.241 120.200 0.083 0.000 2.110 336 E HA -0.216 4.134 4.350 0.000 0.000 0.193 336 E C 2.297 178.957 176.600 0.101 0.000 0.988 336 E CA 1.066 57.523 56.400 0.095 0.000 0.804 336 E CB -0.267 29.467 29.700 0.058 0.000 0.745 336 E HN 0.529 nan 8.360 nan 0.000 0.458 337 R N 0.568 121.109 120.500 0.068 0.000 2.070 337 R HA -0.053 4.287 4.340 0.000 0.000 0.233 337 R C 2.623 178.983 176.300 0.100 0.000 1.137 337 R CA 0.978 57.116 56.100 0.064 0.000 0.945 337 R CB -0.260 30.057 30.300 0.028 0.000 0.845 337 R HN 0.118 nan 8.270 nan 0.000 0.430 338 L N 0.896 122.162 121.223 0.071 0.000 2.131 338 L HA -0.158 4.182 4.340 0.000 0.000 0.210 338 L C 2.309 179.390 176.870 0.351 0.000 1.092 338 L CA 1.185 56.072 54.840 0.078 0.000 0.759 338 L CB -0.376 41.493 42.059 -0.317 0.000 0.903 338 L HN 0.423 nan 8.230 nan 0.000 0.435 339 I N -4.200 116.606 120.570 0.394 0.000 3.883 339 I HA 0.222 4.392 4.170 0.000 0.000 0.326 339 I C 2.069 178.398 176.117 0.354 0.000 1.283 339 I CA 0.504 62.079 61.300 0.459 0.000 1.161 339 I CB -0.354 37.897 38.000 0.419 0.000 1.012 339 I HN -0.034 nan 8.210 nan 0.000 0.421 340 G N 1.384 110.325 108.800 0.235 0.000 2.498 340 G HA2 -0.121 3.839 3.960 0.000 0.000 0.219 340 G HA3 -0.121 3.839 3.960 0.000 0.000 0.219 340 G C 1.731 176.665 174.900 0.058 0.000 1.119 340 G CA 0.183 45.362 45.100 0.130 0.000 0.766 340 G HN 0.408 nan 8.290 nan 0.000 0.552 341 R N -0.799 119.741 120.500 0.067 0.000 2.362 341 R HA 0.304 4.644 4.340 0.000 0.000 0.227 341 R C 0.210 176.457 176.300 -0.087 0.000 0.905 341 R CA -0.364 55.693 56.100 -0.073 0.000 1.067 341 R CB 0.117 30.298 30.300 -0.198 0.000 1.078 341 R HN 0.266 nan 8.270 nan 0.000 0.516 342 L N 1.117 122.388 121.223 0.079 0.000 2.426 342 L HA 0.182 4.522 4.340 0.000 0.000 0.271 342 L C 0.974 177.813 176.870 -0.051 0.000 1.169 342 L CA 0.127 55.075 54.840 0.179 0.000 0.836 342 L CB 0.681 43.045 42.059 0.509 0.000 1.112 342 L HN -0.033 nan 8.230 nan 0.000 0.465 343 R N 2.350 122.875 120.500 0.042 0.000 2.702 343 R HA 0.172 4.512 4.340 0.000 0.000 0.314 343 R C -0.294 175.797 176.300 -0.350 0.000 1.152 343 R CA -0.357 55.663 56.100 -0.135 0.000 1.097 343 R CB -0.240 30.085 30.300 0.041 0.000 1.343 343 R HN 0.436 nan 8.270 nan 0.000 0.575 344 F N -0.586 119.064 119.950 -0.500 0.000 2.485 344 F HA 0.149 4.676 4.527 0.000 0.000 0.327 344 F C 0.510 176.087 175.800 -0.373 0.000 1.203 344 F CA -1.479 56.015 58.000 -0.844 0.000 1.295 344 F CB 0.255 38.854 39.000 -0.670 0.000 1.191 344 F HN -0.175 nan 8.300 nan 0.000 0.588 345 N N 1.239 119.906 118.700 -0.056 0.000 2.438 345 N HA 0.080 4.820 4.740 0.000 0.000 0.267 345 N C -0.933 174.602 175.510 0.042 0.000 1.222 345 N CA -0.443 52.591 53.050 -0.027 0.000 0.930 345 N CB 0.210 38.707 38.487 0.017 0.000 1.083 345 N HN 0.684 nan 8.380 nan 0.000 0.476 346 E N 2.804 122.954 120.200 -0.083 0.000 2.452 346 E HA 0.214 4.564 4.350 0.000 0.000 0.261 346 E C 1.190 177.758 176.600 -0.054 0.000 0.987 346 E CA 0.200 56.566 56.400 -0.057 0.000 0.926 346 E CB 0.232 29.866 29.700 -0.110 0.000 0.934 346 E HN 0.680 nan 8.360 nan 0.000 0.452 347 G N 2.460 111.225 108.800 -0.058 0.000 2.179 347 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 347 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 347 G C 0.236 174.967 174.900 -0.281 0.000 0.977 347 G CA 0.272 45.285 45.100 -0.146 0.000 0.641 347 G HN 0.488 nan 8.290 nan 0.000 0.533 348 L N 0.711 121.781 121.223 -0.255 0.000 3.030 348 L HA 0.456 4.796 4.340 0.000 0.000 0.252 348 L C 0.640 177.243 176.870 -0.445 0.000 1.316 348 L CA -0.468 54.124 54.840 -0.414 0.000 0.975 348 L CB 0.748 42.688 42.059 -0.198 0.000 1.357 348 L HN 0.240 nan 8.230 nan 0.000 0.534 349 R N 1.009 121.095 120.500 -0.690 0.000 2.437 349 R HA 0.629 4.969 4.340 0.000 0.000 0.310 349 R C -1.623 174.263 176.300 -0.689 0.000 0.955 349 R CA -0.391 55.372 56.100 -0.562 0.000 0.851 349 R CB 1.176 31.258 30.300 -0.364 0.000 1.161 349 R HN -0.028 nan 8.270 nan 0.000 0.446 350 F N 2.582 122.477 119.950 -0.091 0.000 2.540 350 F HA 0.440 4.967 4.527 0.000 0.000 0.317 350 F C -0.250 175.507 175.800 -0.072 0.000 1.104 350 F CA -0.623 57.347 58.000 -0.050 0.000 0.913 350 F CB 2.214 41.105 39.000 -0.180 0.000 1.170 350 F HN 0.462 nan 8.300 nan 0.000 0.450 351 E N 1.267 121.559 120.200 0.153 0.000 2.413 351 E HA 0.791 5.141 4.350 0.000 0.000 0.277 351 E C -1.811 174.889 176.600 0.166 0.000 0.958 351 E CA -1.184 55.278 56.400 0.103 0.000 0.779 351 E CB 3.233 32.993 29.700 0.101 0.000 1.278 351 E HN 0.376 nan 8.360 nan 0.000 0.456 352 V N 0.571 120.577 119.914 0.153 0.000 3.188 352 V HA 0.396 4.516 4.120 0.000 0.000 0.305 352 V C -1.973 174.269 176.094 0.247 0.000 1.232 352 V CA -0.557 61.864 62.300 0.201 0.000 1.043 352 V CB 2.656 34.592 31.823 0.189 0.000 1.068 352 V HN 0.793 nan 8.190 nan 0.000 0.439 353 D N 3.634 124.165 120.400 0.219 0.000 2.498 353 D HA 0.782 5.422 4.640 0.000 0.000 0.247 353 D C -0.837 175.579 176.300 0.193 0.000 1.070 353 D CA -0.168 53.976 54.000 0.241 0.000 0.842 353 D CB 1.848 42.805 40.800 0.262 0.000 1.361 353 D HN 0.749 nan 8.370 nan 0.000 0.484 354 L N -1.386 119.935 121.223 0.164 0.000 2.622 354 L HA 0.767 5.107 4.340 0.000 0.000 0.258 354 L C -3.020 173.879 176.870 0.049 0.000 0.996 354 L CA -2.448 52.464 54.840 0.121 0.000 0.858 354 L CB 1.692 43.866 42.059 0.191 0.000 1.449 354 L HN 0.078 nan 8.230 nan 0.000 0.411 355 P HA 0.010 nan 4.420 nan 0.000 0.268 355 P C -0.175 177.151 177.300 0.043 0.000 1.208 355 P CA 0.087 63.194 63.100 0.013 0.000 0.777 355 P CB 0.278 31.986 31.700 0.012 0.000 0.875 356 Y N 2.912 123.155 120.300 -0.096 0.000 2.128 356 Y HA -0.254 4.296 4.550 0.000 0.000 0.284 356 Y C 1.950 177.802 175.900 -0.080 0.000 1.154 356 Y CA 1.808 59.850 58.100 -0.095 0.000 1.149 356 Y CB -0.935 37.430 38.460 -0.159 0.000 0.976 356 Y HN 0.048 nan 8.280 nan 0.000 0.505 357 V N 0.761 120.607 119.914 -0.113 0.000 2.332 357 V HA -0.331 3.789 4.120 0.000 0.000 0.248 357 V C 2.038 177.977 176.094 -0.257 0.000 1.055 357 V CA 2.281 64.439 62.300 -0.237 0.000 1.038 357 V CB -0.719 31.053 31.823 -0.085 0.000 0.651 357 V HN 0.416 nan 8.190 nan 0.000 0.450 358 D N -0.644 119.673 120.400 -0.138 0.000 2.144 358 D HA -0.173 4.467 4.640 0.000 0.000 0.199 358 D C 1.852 178.049 176.300 -0.171 0.000 0.984 358 D CA 1.229 55.161 54.000 -0.113 0.000 0.834 358 D CB -0.346 40.442 40.800 -0.019 0.000 0.955 358 D HN 0.473 nan 8.370 nan 0.000 0.465 359 F N 1.468 121.220 119.950 -0.329 0.000 2.075 359 F HA -0.112 4.415 4.527 0.000 0.000 0.297 359 F C 2.085 177.514 175.800 -0.619 0.000 1.113 359 F CA 1.164 58.862 58.000 -0.503 0.000 1.218 359 F CB -0.385 38.331 39.000 -0.473 0.000 0.984 359 F HN -0.128 nan 8.300 nan 0.000 0.472 360 L N 0.016 120.776 121.223 -0.771 0.000 2.191 360 L HA -0.191 4.149 4.340 0.000 0.000 0.212 360 L C 1.809 178.257 176.870 -0.704 0.000 1.103 360 L CA 0.921 55.208 54.840 -0.922 0.000 0.769 360 L CB -0.648 40.733 42.059 -1.131 0.000 0.908 360 L HN 0.225 nan 8.230 nan 0.000 0.438 361 L N 0.088 120.996 121.223 -0.526 0.000 2.685 361 L HA 0.072 4.412 4.340 0.000 0.000 0.233 361 L C 2.351 179.039 176.870 -0.304 0.000 1.173 361 L CA -0.151 54.467 54.840 -0.370 0.000 0.961 361 L CB -0.336 41.561 42.059 -0.269 0.000 1.217 361 L HN 0.297 nan 8.230 nan 0.000 0.478 362 R N -0.431 119.816 120.500 -0.421 0.000 2.159 362 R HA -0.108 4.232 4.340 0.000 0.000 0.237 362 R C 1.435 177.657 176.300 -0.131 0.000 1.131 362 R CA 1.328 57.246 56.100 -0.305 0.000 0.982 362 R CB -0.819 29.098 30.300 -0.638 0.000 0.868 362 R HN 0.239 nan 8.270 nan 0.000 0.453 363 V N 1.638 121.477 119.914 -0.124 0.000 3.141 363 V HA -0.090 4.030 4.120 0.000 0.000 0.265 363 V C 2.053 178.190 176.094 0.071 0.000 1.126 363 V CA 1.306 63.625 62.300 0.032 0.000 1.141 363 V CB -0.404 31.505 31.823 0.144 0.000 0.743 363 V HN 0.339 nan 8.190 nan 0.000 0.492 364 K N 0.444 120.838 120.400 -0.010 0.000 2.160 364 K HA -0.225 4.095 4.320 0.000 0.000 0.206 364 K C 2.323 178.901 176.600 -0.037 0.000 1.047 364 K CA 1.553 57.823 56.287 -0.029 0.000 0.930 364 K CB -0.225 32.231 32.500 -0.072 0.000 0.720 364 K HN 0.483 nan 8.250 nan 0.000 0.450 365 R N 0.220 120.710 120.500 -0.016 0.000 2.081 365 R HA -0.060 4.280 4.340 0.000 0.000 0.235 365 R C 2.480 178.766 176.300 -0.025 0.000 1.131 365 R CA 1.560 57.653 56.100 -0.011 0.000 0.960 365 R CB -0.203 30.113 30.300 0.027 0.000 0.856 365 R HN 0.065 nan 8.270 nan 0.000 0.436 366 S N 0.844 116.542 115.700 -0.003 0.000 2.383 366 S HA -0.166 4.304 4.470 0.000 0.000 0.227 366 S C 1.837 176.425 174.600 -0.021 0.000 1.026 366 S CA 1.105 59.302 58.200 -0.006 0.000 0.981 366 S CB -0.114 63.114 63.200 0.047 0.000 0.818 366 S HN 0.399 nan 8.310 nan 0.000 0.472 367 E N 1.264 121.422 120.200 -0.070 0.000 2.058 367 E HA -0.264 4.086 4.350 0.000 0.000 0.194 367 E C 2.040 178.428 176.600 -0.353 0.000 0.997 367 E CA 1.415 57.578 56.400 -0.395 0.000 0.801 367 E CB -0.119 29.265 29.700 -0.526 0.000 0.746 367 E HN 0.390 nan 8.360 nan 0.000 0.450 368 E N 0.772 120.850 120.200 -0.202 0.000 2.058 368 E HA -0.182 4.168 4.350 0.000 0.000 0.194 368 E C 1.936 178.483 176.600 -0.088 0.000 0.997 368 E CA 1.580 57.897 56.400 -0.139 0.000 0.801 368 E CB -0.335 29.311 29.700 -0.090 0.000 0.746 368 E HN 0.437 nan 8.360 nan 0.000 0.450 369 I N 0.443 120.970 120.570 -0.071 0.000 2.208 369 I HA -0.286 3.884 4.170 0.000 0.000 0.245 369 I C 2.395 178.491 176.117 -0.035 0.000 1.097 369 I CA 1.168 62.434 61.300 -0.057 0.000 1.363 369 I CB -0.427 37.528 38.000 -0.076 0.000 1.051 369 I HN 0.207 nan 8.210 nan 0.000 0.413 370 A N 0.800 123.614 122.820 -0.009 0.000 1.902 370 A HA -0.217 4.103 4.320 0.000 0.000 0.217 370 A C 2.324 180.029 177.584 0.202 0.000 1.181 370 A CA 1.646 53.761 52.037 0.131 0.000 0.623 370 A CB -0.437 18.819 19.000 0.428 0.000 0.818 370 A HN 0.325 nan 8.150 nan 0.000 0.443 371 K N -0.763 119.698 120.400 0.101 0.000 2.097 371 K HA -0.159 4.161 4.320 0.000 0.000 0.205 371 K C 2.088 178.727 176.600 0.065 0.000 1.050 371 K CA 1.442 57.786 56.287 0.095 0.000 0.938 371 K CB -0.070 32.398 32.500 -0.053 0.000 0.718 371 K HN 0.475 nan 8.250 nan 0.000 0.442 372 E N 1.809 122.022 120.200 0.023 0.000 2.077 372 E HA -0.175 4.175 4.350 0.000 0.000 0.193 372 E C 1.167 177.783 176.600 0.027 0.000 0.989 372 E CA 1.681 58.090 56.400 0.015 0.000 0.800 372 E CB -0.121 29.575 29.700 -0.007 0.000 0.746 372 E HN 0.383 nan 8.360 nan 0.000 0.452 373 N N -0.863 117.857 118.700 0.033 0.000 2.383 373 N HA 0.095 4.835 4.740 0.000 0.000 0.192 373 N C 0.972 176.521 175.510 0.065 0.000 1.141 373 N CA 0.802 53.873 53.050 0.034 0.000 0.851 373 N CB 0.335 38.828 38.487 0.010 0.000 0.976 373 N HN 0.219 nan 8.380 nan 0.000 0.465 374 G N -0.494 108.364 108.800 0.097 0.000 2.155 374 G HA2 -0.340 3.620 3.960 0.000 0.000 0.257 374 G HA3 -0.340 3.620 3.960 0.000 0.000 0.257 374 G C 0.814 175.807 174.900 0.155 0.000 0.983 374 G CA 0.909 46.078 45.100 0.115 0.000 0.676 374 G HN 0.679 nan 8.290 nan 0.000 0.528 375 T N -4.272 110.422 114.554 0.233 0.000 3.086 375 T HA 0.119 4.469 4.350 0.000 0.000 0.250 375 T C 1.638 176.664 174.700 0.543 0.000 1.074 375 T CA 0.869 63.166 62.100 0.328 0.000 0.988 375 T CB -0.192 68.921 68.868 0.408 0.000 0.988 375 T HN 0.546 nan 8.240 nan 0.000 0.530 376 W N 2.237 123.723 121.300 0.310 0.000 2.425 376 W HA -0.034 4.626 4.660 0.000 0.000 0.277 376 W C 0.765 177.403 176.519 0.198 0.000 1.231 376 W CA 1.052 58.609 57.345 0.353 0.000 1.248 376 W CB 0.268 29.883 29.460 0.257 0.000 1.117 376 W HN 0.357 nan 8.180 nan 0.000 0.568 377 E N -0.833 119.454 120.200 0.146 0.000 2.452 377 E HA -0.007 4.343 4.350 0.000 0.000 0.197 377 E C 1.015 177.485 176.600 -0.217 0.000 1.022 377 E CA 0.551 56.926 56.400 -0.041 0.000 0.890 377 E CB 0.007 29.739 29.700 0.053 0.000 0.918 377 E HN -0.009 nan 8.360 nan 0.000 0.496 378 T N -1.250 113.139 114.554 -0.274 0.000 2.847 378 T HA 0.425 4.775 4.350 0.000 0.000 0.279 378 T C -2.520 171.707 174.700 -0.788 0.000 0.984 378 T CA -2.325 59.550 62.100 -0.374 0.000 0.988 378 T CB 1.183 69.919 68.868 -0.219 0.000 1.040 378 T HN -0.307 nan 8.240 nan 0.000 0.528 379 P HA 0.186 nan 4.420 nan 0.000 0.268 379 P C -0.769 175.923 177.300 -1.013 0.000 1.208 379 P CA -0.084 62.586 63.100 -0.717 0.000 0.777 379 P CB 0.074 31.542 31.700 -0.387 0.000 0.875 380 H N 1.409 120.091 119.070 -0.647 0.000 2.541 380 H HA 0.238 4.794 4.556 0.000 0.000 0.246 380 H C -2.041 173.038 175.328 -0.415 0.000 1.341 380 H CA -1.750 53.848 56.048 -0.750 0.000 1.469 380 H CB 0.442 29.268 29.762 -1.559 0.000 1.472 380 H HN 0.273 nan 8.280 nan 0.000 0.503 381 P HA -0.028 nan 4.420 nan 0.000 0.231 381 P C -0.630 176.811 177.300 0.235 0.000 1.811 381 P CA -0.341 62.779 63.100 0.034 0.000 1.051 381 P CB -0.173 31.526 31.700 -0.003 0.000 1.951 382 W N 2.209 123.485 121.300 -0.039 0.000 2.238 382 W HA 0.314 4.974 4.660 0.000 0.000 0.321 382 W C 0.264 176.784 176.519 0.002 0.000 1.293 382 W CA -0.224 57.120 57.345 -0.002 0.000 1.204 382 W CB 0.185 29.654 29.460 0.014 0.000 1.167 382 W HN 0.113 nan 8.180 nan 0.000 0.553 383 L N 5.220 126.548 121.223 0.175 0.000 2.362 383 L HA 0.500 4.840 4.340 0.000 0.000 0.275 383 L C -0.791 176.132 176.870 0.089 0.000 0.998 383 L CA -0.377 54.527 54.840 0.108 0.000 0.820 383 L CB 0.947 43.057 42.059 0.086 0.000 1.270 383 L HN 0.307 nan 8.230 nan 0.000 0.415 384 N N 6.575 125.321 118.700 0.078 0.000 2.352 384 N HA 0.730 5.470 4.740 0.000 0.000 0.291 384 N C -1.564 173.965 175.510 0.030 0.000 1.040 384 N CA -0.353 52.738 53.050 0.068 0.000 0.864 384 N CB 2.482 41.038 38.487 0.114 0.000 1.440 384 N HN 0.689 nan 8.380 nan 0.000 0.483 385 L N -1.934 119.255 121.223 -0.057 0.000 2.671 385 L HA 0.715 5.055 4.340 0.000 0.000 0.259 385 L C -1.673 175.050 176.870 -0.244 0.000 1.021 385 L CA -0.973 53.821 54.840 -0.077 0.000 0.871 385 L CB 1.454 43.587 42.059 0.124 0.000 1.472 385 L HN 0.096 nan 8.230 nan 0.000 0.410 386 F N 0.798 120.818 119.950 0.116 0.000 2.450 386 F HA 0.797 5.324 4.527 0.000 0.000 0.332 386 F C 0.024 175.860 175.800 0.060 0.000 1.093 386 F CA -0.735 57.312 58.000 0.078 0.000 1.003 386 F CB 2.203 41.214 39.000 0.018 0.000 1.151 386 F HN 0.176 nan 8.300 nan 0.000 0.474 387 V N 1.771 121.840 119.914 0.259 0.000 2.656 387 V HA 0.404 4.524 4.120 0.000 0.000 0.307 387 V C -0.300 175.936 176.094 0.235 0.000 1.051 387 V CA -1.231 61.162 62.300 0.156 0.000 0.893 387 V CB 1.906 33.690 31.823 -0.065 0.000 0.999 387 V HN 0.865 nan 8.190 nan 0.000 0.426 388 S N 3.498 119.302 115.700 0.174 0.000 2.569 388 S HA 0.075 4.545 4.470 0.000 0.000 0.274 388 S C 1.189 175.927 174.600 0.229 0.000 1.353 388 S CA 0.218 58.530 58.200 0.186 0.000 1.023 388 S CB 0.594 63.853 63.200 0.099 0.000 0.876 388 S HN 0.868 nan 8.310 nan 0.000 0.540 389 K N 1.440 122.003 120.400 0.271 0.000 2.103 389 K HA -0.195 4.125 4.320 0.000 0.000 0.207 389 K C 2.277 178.965 176.600 0.147 0.000 1.048 389 K CA 1.498 57.954 56.287 0.283 0.000 0.930 389 K CB -0.235 32.411 32.500 0.244 0.000 0.716 389 K HN 0.767 nan 8.250 nan 0.000 0.444 390 R N 0.042 120.613 120.500 0.118 0.000 2.148 390 R HA -0.099 4.241 4.340 0.000 0.000 0.227 390 R C 0.586 176.941 176.300 0.092 0.000 1.103 390 R CA 1.759 57.911 56.100 0.088 0.000 0.983 390 R CB 0.178 30.518 30.300 0.067 0.000 0.874 390 R HN 0.227 nan 8.270 nan 0.000 0.451 391 D N -0.600 119.864 120.400 0.106 0.000 2.433 391 D HA -0.007 4.633 4.640 0.000 0.000 0.211 391 D C 1.192 177.594 176.300 0.169 0.000 1.114 391 D CA 0.003 54.080 54.000 0.130 0.000 0.837 391 D CB 0.345 41.221 40.800 0.128 0.000 0.984 391 D HN 0.141 nan 8.370 nan 0.000 0.505 392 I N 1.287 121.920 120.570 0.105 0.000 2.361 392 I HA -0.086 4.084 4.170 0.000 0.000 0.251 392 I C 2.118 178.385 176.117 0.250 0.000 1.133 392 I CA 1.166 62.515 61.300 0.081 0.000 1.413 392 I CB -0.297 37.520 38.000 -0.306 0.000 1.073 392 I HN 0.000 nan 8.210 nan 0.000 0.424 393 G N -0.262 108.687 108.800 0.248 0.000 2.446 393 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 393 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 393 G C 1.434 176.434 174.900 0.167 0.000 1.168 393 G CA 1.044 46.305 45.100 0.268 0.000 0.771 393 G HN 0.344 nan 8.290 nan 0.000 0.551 394 D N -0.140 120.376 120.400 0.194 0.000 2.117 394 D HA -0.094 4.546 4.640 0.000 0.000 0.197 394 D C 1.981 178.437 176.300 0.259 0.000 0.987 394 D CA 0.452 54.597 54.000 0.240 0.000 0.829 394 D CB -0.394 40.572 40.800 0.276 0.000 0.961 394 D HN 0.276 nan 8.370 nan 0.000 0.460 395 F N 1.615 121.636 119.950 0.118 0.000 2.126 395 F HA -0.242 4.285 4.527 0.000 0.000 0.299 395 F C 2.089 177.618 175.800 -0.452 0.000 1.096 395 F CA 1.549 59.480 58.000 -0.115 0.000 1.255 395 F CB -0.259 38.684 39.000 -0.095 0.000 0.997 395 F HN -0.113 nan 8.300 nan 0.000 0.479 396 N N 0.346 118.923 118.700 -0.205 0.000 2.120 396 N HA -0.228 4.512 4.740 0.000 0.000 0.188 396 N C 2.140 177.474 175.510 -0.293 0.000 1.024 396 N CA 1.557 54.382 53.050 -0.376 0.000 0.852 396 N CB -0.387 37.573 38.487 -0.878 0.000 1.003 396 N HN 0.260 nan 8.380 nan 0.000 0.424 397 R N -0.904 119.473 120.500 -0.205 0.000 2.083 397 R HA -0.091 4.249 4.340 0.000 0.000 0.237 397 R C 1.287 177.441 176.300 -0.243 0.000 1.137 397 R CA 2.004 58.019 56.100 -0.141 0.000 0.951 397 R CB -0.437 29.843 30.300 -0.034 0.000 0.851 397 R HN 0.308 nan 8.270 nan 0.000 0.434 398 T N -0.360 113.931 114.554 -0.438 0.000 2.983 398 T HA 0.046 4.396 4.350 0.000 0.000 0.250 398 T C 1.729 175.966 174.700 -0.772 0.000 1.037 398 T CA 0.781 62.492 62.100 -0.650 0.000 1.142 398 T CB 0.226 68.444 68.868 -1.083 0.000 0.876 398 T HN 0.001 nan 8.240 nan 0.000 0.455 399 V N 0.944 120.249 119.914 -1.015 0.000 2.283 399 V HA 0.027 4.147 4.120 0.000 0.000 0.239 399 V C 2.097 177.886 176.094 -0.509 0.000 1.035 399 V CA 1.400 63.109 62.300 -0.985 0.000 1.018 399 V CB -0.716 30.094 31.823 -1.689 0.000 0.658 399 V HN 0.301 nan 8.190 nan 0.000 0.459 400 F N 0.949 120.693 119.950 -0.343 0.000 2.146 400 F HA -0.032 4.495 4.527 0.000 0.000 0.298 400 F C 2.281 177.973 175.800 -0.179 0.000 1.096 400 F CA 1.136 59.029 58.000 -0.178 0.000 1.275 400 F CB -0.720 38.228 39.000 -0.087 0.000 1.008 400 F HN 0.094 nan 8.300 nan 0.000 0.480 401 K N -0.422 119.964 120.400 -0.024 0.000 2.418 401 K HA 0.004 4.324 4.320 0.000 0.000 0.195 401 K C 1.137 177.677 176.600 -0.099 0.000 1.035 401 K CA 0.731 56.986 56.287 -0.054 0.000 1.003 401 K CB 0.210 32.682 32.500 -0.046 0.000 0.793 401 K HN 0.377 nan 8.250 nan 0.000 0.494 402 E N -0.168 119.938 120.200 -0.157 0.000 3.596 402 E HA 0.099 4.449 4.350 0.000 0.000 0.188 402 E C 1.728 178.230 176.600 -0.164 0.000 1.232 402 E CA -0.178 56.126 56.400 -0.161 0.000 1.460 402 E CB -0.023 29.561 29.700 -0.195 0.000 1.513 402 E HN -0.068 nan 8.360 nan 0.000 0.530 403 L N 1.643 122.725 121.223 -0.234 0.000 2.042 403 L HA -0.098 4.242 4.340 0.000 0.000 0.210 403 L C 1.971 178.766 176.870 -0.125 0.000 1.076 403 L CA 1.225 55.942 54.840 -0.204 0.000 0.749 403 L CB -0.182 41.702 42.059 -0.293 0.000 0.893 403 L HN 0.147 nan 8.230 nan 0.000 0.432 404 V N -3.337 116.521 119.914 -0.095 0.000 2.940 404 V HA 0.122 4.242 4.120 0.000 0.000 0.366 404 V C 1.554 177.642 176.094 -0.010 0.000 1.353 404 V CA -0.357 61.929 62.300 -0.023 0.000 1.232 404 V CB -0.217 31.629 31.823 0.040 0.000 1.278 404 V HN 0.422 nan 8.190 nan 0.000 0.546 405 K N 0.201 120.575 120.400 -0.044 0.000 2.360 405 K HA -0.040 4.280 4.320 0.000 0.000 0.201 405 K C 0.931 177.492 176.600 -0.066 0.000 1.046 405 K CA 1.677 57.931 56.287 -0.056 0.000 0.945 405 K CB -0.260 32.198 32.500 -0.070 0.000 0.750 405 K HN 0.514 nan 8.250 nan 0.000 0.464 406 N N 1.082 119.749 118.700 -0.054 0.000 2.268 406 N HA 0.101 4.841 4.740 0.000 0.000 0.204 406 N C 0.317 175.801 175.510 -0.043 0.000 1.124 406 N CA 0.836 53.850 53.050 -0.059 0.000 0.838 406 N CB 1.038 39.492 38.487 -0.054 0.000 0.994 406 N HN 0.474 nan 8.380 nan 0.000 0.489 407 G N 0.367 109.154 108.800 -0.022 0.000 2.757 407 G HA2 -0.238 3.722 3.960 0.000 0.000 0.638 407 G HA3 -0.238 3.722 3.960 0.000 0.000 0.638 407 G C 0.257 175.175 174.900 0.030 0.000 1.344 407 G CA -0.171 44.934 45.100 0.007 0.000 0.855 407 G HN 0.361 nan 8.290 nan 0.000 0.537 408 V N -3.724 116.227 119.914 0.062 0.000 3.253 408 V HA 0.424 4.544 4.120 0.000 0.000 0.320 408 V C 1.087 177.270 176.094 0.148 0.000 1.442 408 V CA 0.922 63.279 62.300 0.095 0.000 1.097 408 V CB -0.100 31.790 31.823 0.110 0.000 1.008 408 V HN 1.567 nan 8.190 nan 0.000 0.463 409 N N 0.605 119.371 118.700 0.111 0.000 2.850 409 N HA -0.121 4.619 4.740 0.000 0.000 0.249 409 N C 0.441 176.046 175.510 0.157 0.000 1.060 409 N CA 1.344 54.465 53.050 0.119 0.000 0.825 409 N CB -1.435 37.148 38.487 0.161 0.000 1.132 409 N HN 1.126 nan 8.380 nan 0.000 0.564 410 G N -1.060 107.849 108.800 0.180 0.000 2.606 410 G HA2 0.606 4.566 3.960 0.000 0.000 0.300 410 G HA3 0.606 4.566 3.960 0.000 0.000 0.300 410 G C -2.963 171.986 174.900 0.081 0.000 1.360 410 G CA -0.674 44.534 45.100 0.181 0.000 0.783 410 G HN -0.072 nan 8.290 nan 0.000 0.484 414 V N 3.228 123.451 119.914 0.515 0.000 2.697 414 V HA 0.740 4.860 4.120 0.000 0.000 0.296 414 V C -1.995 174.506 176.094 0.679 0.000 1.140 414 V CA -0.104 62.521 62.300 0.542 0.000 0.921 414 V CB 1.911 34.122 31.823 0.646 0.000 1.036 414 V HN 0.737 nan 8.190 nan 0.000 0.438 415 Y N 5.312 125.851 120.300 0.399 0.000 2.624 415 Y HA 0.919 5.469 4.550 0.000 0.000 0.334 415 Y C -3.248 172.465 175.900 -0.312 0.000 1.155 415 Y CA -2.350 55.816 58.100 0.109 0.000 1.046 415 Y CB 1.787 40.274 38.460 0.045 0.000 1.316 415 Y HN 0.436 nan 8.280 nan 0.000 0.457 416 P HA 0.510 nan 4.420 nan 0.000 0.279 416 P C -1.169 175.859 177.300 -0.452 0.000 1.252 416 P CA -0.240 62.306 63.100 -0.924 0.000 0.811 416 P CB 2.453 33.583 31.700 -0.951 0.000 1.035 417 L N 0.885 121.734 121.223 -0.624 0.000 2.376 417 L HA 0.503 4.843 4.340 0.000 0.000 0.258 417 L C -0.553 176.007 176.870 -0.517 0.000 1.013 417 L CA -1.200 53.329 54.840 -0.518 0.000 0.822 417 L CB 1.855 43.331 42.059 -0.971 0.000 1.388 417 L HN 0.150 nan 8.230 nan 0.000 0.413 418 L N 1.323 122.448 121.223 -0.163 0.000 2.305 418 L HA 0.422 4.762 4.340 0.000 0.000 0.284 418 L C 1.112 178.078 176.870 0.161 0.000 1.013 418 L CA 0.072 54.904 54.840 -0.014 0.000 0.819 418 L CB 1.361 43.460 42.059 0.066 0.000 1.227 418 L HN 0.511 nan 8.230 nan 0.000 0.417 419 R N 1.252 121.870 120.500 0.198 0.000 2.127 419 R HA -0.168 4.172 4.340 0.000 0.000 0.238 419 R C 1.833 178.279 176.300 0.244 0.000 1.134 419 R CA 1.709 57.952 56.100 0.239 0.000 0.975 419 R CB 0.169 30.534 30.300 0.109 0.000 0.865 419 R HN 0.870 nan 8.270 nan 0.000 0.447 420 S N 0.309 116.115 115.700 0.177 0.000 2.420 420 S HA -0.114 4.356 4.470 0.000 0.000 0.237 420 S C 1.519 176.223 174.600 0.173 0.000 1.023 420 S CA 0.803 59.086 58.200 0.138 0.000 0.991 420 S CB -0.198 63.052 63.200 0.084 0.000 0.792 420 S HN 0.351 nan 8.310 nan 0.000 0.488 421 R N -0.383 120.276 120.500 0.266 0.000 2.310 421 R HA 0.186 4.526 4.340 0.000 0.000 0.202 421 R C -0.907 175.501 176.300 0.179 0.000 0.933 421 R CA 0.023 56.238 56.100 0.192 0.000 1.054 421 R CB -0.397 29.971 30.300 0.115 0.000 0.985 421 R HN 0.516 nan 8.270 nan 0.000 0.489 422 W N 1.689 123.023 121.300 0.057 0.000 2.318 422 W HA 0.259 4.919 4.660 0.000 0.000 0.315 422 W C -0.025 176.515 176.519 0.034 0.000 1.033 422 W CA -1.398 55.979 57.345 0.052 0.000 1.275 422 W CB 0.740 30.229 29.460 0.048 0.000 1.250 422 W HN -0.181 nan 8.180 nan 0.000 0.421 423 D N 3.465 123.990 120.400 0.208 0.000 2.339 423 D HA -0.063 4.577 4.640 0.000 0.000 0.256 423 D C 1.068 177.432 176.300 0.107 0.000 1.214 423 D CA 0.295 54.375 54.000 0.134 0.000 0.877 423 D CB 0.833 41.720 40.800 0.146 0.000 1.111 423 D HN 0.511 nan 8.370 nan 0.000 0.478 424 D N 3.134 123.563 120.400 0.048 0.000 2.378 424 D HA -0.126 4.514 4.640 0.000 0.000 0.227 424 D C 1.264 177.553 176.300 -0.018 0.000 1.012 424 D CA 0.499 54.515 54.000 0.027 0.000 0.905 424 D CB -0.076 40.724 40.800 0.001 0.000 0.895 424 D HN 0.358 nan 8.370 nan 0.000 0.532 425 R N 0.147 120.573 120.500 -0.123 0.000 2.153 425 R HA 0.037 4.377 4.340 0.000 0.000 0.218 425 R C 1.142 177.420 176.300 -0.036 0.000 1.072 425 R CA 1.008 56.944 56.100 -0.274 0.000 0.990 425 R CB -0.344 29.402 30.300 -0.924 0.000 0.889 425 R HN 0.365 nan 8.270 nan 0.000 0.452 426 T N -2.123 112.511 114.554 0.134 0.000 2.748 426 T HA 0.040 4.390 4.350 0.000 0.000 0.304 426 T C 1.122 175.976 174.700 0.257 0.000 1.041 426 T CA -0.411 61.838 62.100 0.250 0.000 1.033 426 T CB 1.418 70.426 68.868 0.233 0.000 0.995 426 T HN -0.136 nan 8.240 nan 0.000 0.536 427 S N 0.004 115.902 115.700 0.328 0.000 2.561 427 S HA 0.121 4.591 4.470 0.000 0.000 0.225 427 S C 0.815 175.715 174.600 0.500 0.000 0.977 427 S CA -0.295 58.203 58.200 0.496 0.000 0.926 427 S CB -0.380 63.233 63.200 0.689 0.000 0.769 427 S HN 0.590 nan 8.310 nan 0.000 0.533 428 V N 2.336 122.485 119.914 0.392 0.000 2.763 428 V HA 0.080 4.200 4.120 0.000 0.000 0.306 428 V C 0.167 176.420 176.094 0.264 0.000 1.059 428 V CA 0.101 62.634 62.300 0.387 0.000 1.138 428 V CB 0.937 33.013 31.823 0.421 0.000 0.940 428 V HN 0.059 nan 8.190 nan 0.000 0.489 429 V N 6.236 126.270 119.914 0.201 0.000 2.407 429 V HA 0.542 4.662 4.120 0.000 0.000 0.291 429 V C -0.096 175.899 176.094 -0.165 0.000 1.018 429 V CA -0.311 61.967 62.300 -0.037 0.000 0.842 429 V CB 1.290 32.948 31.823 -0.276 0.000 0.996 429 V HN 0.781 nan 8.190 nan 0.000 0.426 430 I N 2.976 123.303 120.570 -0.405 0.000 3.170 430 I HA 0.804 4.974 4.170 0.000 0.000 0.312 430 I C -2.694 173.064 176.117 -0.598 0.000 1.085 430 I CA -3.026 57.807 61.300 -0.778 0.000 0.999 430 I CB 2.007 39.104 38.000 -1.505 0.000 1.233 430 I HN 0.314 nan 8.210 nan 0.000 0.467 431 P HA 0.110 nan 4.420 nan 0.000 0.270 431 P C -0.112 176.990 177.300 -0.330 0.000 1.227 431 P CA -0.063 62.818 63.100 -0.365 0.000 0.788 431 P CB 0.522 32.079 31.700 -0.239 0.000 0.926 432 E N -0.149 119.929 120.200 -0.204 0.000 2.072 432 E HA -0.113 4.237 4.350 0.000 0.000 0.190 432 E C 0.656 177.181 176.600 -0.125 0.000 0.982 432 E CA 1.000 57.308 56.400 -0.153 0.000 0.803 432 E CB 0.233 29.871 29.700 -0.104 0.000 0.755 432 E HN 0.474 nan 8.360 nan 0.000 0.453 433 E N 0.110 120.252 120.200 -0.096 0.000 2.248 433 E HA 0.424 4.774 4.350 0.000 0.000 0.267 433 E C -0.797 175.787 176.600 -0.028 0.000 0.877 433 E CA -0.285 56.083 56.400 -0.054 0.000 0.759 433 E CB 1.868 31.552 29.700 -0.026 0.000 1.182 433 E HN 0.174 nan 8.360 nan 0.000 0.418 434 G N 3.589 112.383 108.800 -0.009 0.000 2.841 434 G HA2 -0.148 3.812 3.960 0.000 0.000 0.684 434 G HA3 -0.148 3.812 3.960 0.000 0.000 0.684 434 G C 0.431 175.359 174.900 0.048 0.000 1.273 434 G CA 0.019 45.138 45.100 0.031 0.000 0.811 434 G HN 0.627 nan 8.290 nan 0.000 0.631 435 E N 0.571 120.801 120.200 0.050 0.000 2.150 435 E HA 0.029 4.379 4.350 0.000 0.000 0.193 435 E C 1.084 177.732 176.600 0.080 0.000 0.985 435 E CA 0.700 57.134 56.400 0.057 0.000 0.814 435 E CB 0.399 30.121 29.700 0.037 0.000 0.752 435 E HN 0.600 nan 8.360 nan 0.000 0.466 436 I N 1.372 121.983 120.570 0.070 0.000 2.412 436 I HA 0.340 4.510 4.170 0.000 0.000 0.296 436 I C -0.670 175.520 176.117 0.121 0.000 0.987 436 I CA -1.279 60.023 61.300 0.003 0.000 1.180 436 I CB 1.148 39.120 38.000 -0.046 0.000 1.340 436 I HN 0.051 nan 8.210 nan 0.000 0.455 437 F N 4.065 123.930 119.950 -0.142 0.000 2.650 437 F HA 0.669 5.196 4.527 0.000 0.000 0.320 437 F C -1.699 174.040 175.800 -0.102 0.000 1.091 437 F CA -1.328 56.637 58.000 -0.058 0.000 0.962 437 F CB 0.808 39.713 39.000 -0.159 0.000 1.363 437 F HN 0.149 nan 8.300 nan 0.000 0.482 438 Y N 1.654 121.995 120.300 0.069 0.000 2.446 438 Y HA 0.610 5.160 4.550 0.000 0.000 0.338 438 Y C -0.208 175.740 175.900 0.081 0.000 1.055 438 Y CA -1.165 56.920 58.100 -0.026 0.000 1.101 438 Y CB 1.933 40.410 38.460 0.029 0.000 1.221 438 Y HN 0.774 nan 8.280 nan 0.000 0.460 439 I N 2.642 123.205 120.570 -0.011 0.000 2.437 439 I HA 0.639 4.809 4.170 0.000 0.000 0.298 439 I C -1.378 174.683 176.117 -0.092 0.000 0.984 439 I CA -0.628 60.621 61.300 -0.085 0.000 1.214 439 I CB 0.735 38.584 38.000 -0.252 0.000 1.365 439 I HN 0.336 nan 8.210 nan 0.000 0.469 440 V N 6.770 126.647 119.914 -0.063 0.000 2.709 440 V HA 0.781 4.901 4.120 0.000 0.000 0.308 440 V C -0.452 175.681 176.094 0.064 0.000 1.062 440 V CA -0.521 61.818 62.300 0.065 0.000 0.901 440 V CB 1.601 33.408 31.823 -0.028 0.000 1.003 440 V HN 0.836 nan 8.190 nan 0.000 0.425 441 A N 5.526 128.427 122.820 0.136 0.000 2.353 441 A HA 0.851 5.171 4.320 0.000 0.000 0.299 441 A C -1.115 176.512 177.584 0.071 0.000 1.089 441 A CA -0.447 51.630 52.037 0.065 0.000 0.736 441 A CB 1.036 20.047 19.000 0.018 0.000 1.195 441 A HN 0.789 nan 8.150 nan 0.000 0.447 442 L N 3.807 125.053 121.223 0.038 0.000 2.297 442 L HA 0.330 4.670 4.340 0.000 0.000 0.277 442 L C -0.561 176.203 176.870 -0.176 0.000 1.040 442 L CA -0.146 54.712 54.840 0.030 0.000 0.867 442 L CB 0.759 42.884 42.059 0.111 0.000 1.244 442 L HN 0.617 nan 8.230 nan 0.000 0.433 443 L N 4.561 125.585 121.223 -0.333 0.000 2.466 443 L HA 0.325 4.665 4.340 0.000 0.000 0.248 443 L C 0.563 177.358 176.870 -0.125 0.000 1.240 443 L CA -0.337 53.958 54.840 -0.909 0.000 1.180 443 L CB -0.418 41.063 42.059 -0.963 0.000 1.413 443 L HN 0.577 nan 8.230 nan 0.000 0.406 444 R N 1.423 121.977 120.500 0.089 0.000 2.570 444 R HA 0.318 4.658 4.340 0.000 0.000 0.277 444 R C -0.913 175.611 176.300 0.374 0.000 1.039 444 R CA 0.250 56.529 56.100 0.299 0.000 1.065 444 R CB 0.466 30.898 30.300 0.220 0.000 0.964 444 R HN 0.132 nan 8.270 nan 0.000 0.428 445 F N 0.581 120.701 119.950 0.284 0.000 2.561 445 F HA 0.360 4.887 4.527 0.000 0.000 0.321 445 F C -0.024 175.821 175.800 0.075 0.000 1.065 445 F CA -1.012 57.132 58.000 0.239 0.000 0.934 445 F CB 1.840 40.997 39.000 0.263 0.000 1.215 445 F HN 0.055 nan 8.300 nan 0.000 0.471 446 V N 3.772 123.772 119.914 0.142 0.000 2.357 446 V HA 0.371 4.491 4.120 0.000 0.000 0.284 446 V C -2.289 173.835 176.094 0.050 0.000 1.018 446 V CA -2.148 60.171 62.300 0.033 0.000 0.841 446 V CB 1.324 33.093 31.823 -0.090 0.000 0.991 446 V HN 0.487 nan 8.190 nan 0.000 0.437 447 P HA 0.130 nan 4.420 nan 0.000 0.266 447 P C -1.938 175.369 177.300 0.011 0.000 1.195 447 P CA -1.127 61.997 63.100 0.039 0.000 0.768 447 P CB 0.235 31.949 31.700 0.024 0.000 0.838 448 P HA -0.037 nan 4.420 nan 0.000 0.226 448 P C 0.134 177.428 177.300 -0.011 0.000 1.153 448 P CA 1.014 64.112 63.100 -0.003 0.000 0.777 448 P CB -0.058 31.649 31.700 0.011 0.000 0.794 449 C N -0.538 118.758 119.300 -0.007 0.000 2.693 449 C HA 0.556 5.016 4.460 0.000 0.000 0.286 449 C C 1.416 176.398 174.990 -0.014 0.000 1.277 449 C CA -0.565 58.447 59.018 -0.010 0.000 1.705 449 C CB -1.669 26.067 27.740 -0.007 0.000 1.879 449 C HN 0.198 nan 8.230 nan 0.000 0.607 450 A N 1.164 123.975 122.820 -0.016 0.000 2.371 450 A HA 0.474 4.794 4.320 0.000 0.000 0.257 450 A C 0.119 177.687 177.584 -0.026 0.000 1.089 450 A CA -0.100 51.926 52.037 -0.019 0.000 0.794 450 A CB 0.397 19.386 19.000 -0.017 0.000 1.029 450 A HN 0.632 nan 8.150 nan 0.000 0.488 451 K N 0.870 121.255 120.400 -0.025 0.000 2.219 451 K HA 0.243 4.563 4.320 0.000 0.000 0.258 451 K C 0.898 177.478 176.600 -0.034 0.000 1.008 451 K CA -0.501 55.770 56.287 -0.027 0.000 0.928 451 K CB 0.632 33.118 32.500 -0.023 0.000 0.983 451 K HN 0.328 nan 8.250 nan 0.000 0.484 452 V N 1.137 121.030 119.914 -0.036 0.000 2.594 452 V HA -0.251 3.869 4.120 0.000 0.000 0.253 452 V C 2.272 178.343 176.094 -0.037 0.000 1.069 452 V CA 2.184 64.458 62.300 -0.043 0.000 1.082 452 V CB -0.848 30.950 31.823 -0.042 0.000 0.680 452 V HN 0.961 nan 8.190 nan 0.000 0.469 453 S N -0.367 115.316 115.700 -0.030 0.000 2.419 453 S HA -0.204 4.266 4.470 0.000 0.000 0.235 453 S C 2.030 176.615 174.600 -0.025 0.000 1.019 453 S CA 1.622 59.807 58.200 -0.025 0.000 0.982 453 S CB -0.489 62.698 63.200 -0.021 0.000 0.789 453 S HN 0.514 nan 8.310 nan 0.000 0.490 454 S N 1.328 117.012 115.700 -0.028 0.000 2.355 454 S HA -0.016 4.454 4.470 0.000 0.000 0.222 454 S C 1.949 176.532 174.600 -0.028 0.000 1.031 454 S CA 1.296 59.481 58.200 -0.025 0.000 0.993 454 S CB -0.511 62.675 63.200 -0.024 0.000 0.859 454 S HN 0.478 nan 8.310 nan 0.000 0.453 455 V N 1.815 121.704 119.914 -0.042 0.000 2.358 455 V HA -0.084 4.036 4.120 0.000 0.000 0.246 455 V C 2.579 178.649 176.094 -0.039 0.000 1.047 455 V CA 1.361 63.629 62.300 -0.053 0.000 1.035 455 V CB -0.540 31.233 31.823 -0.082 0.000 0.658 455 V HN 0.365 nan 8.190 nan 0.000 0.452 456 E N 0.781 120.960 120.200 -0.034 0.000 2.110 456 E HA -0.165 4.185 4.350 0.000 0.000 0.193 456 E C 1.479 178.069 176.600 -0.017 0.000 0.988 456 E CA 0.812 57.197 56.400 -0.024 0.000 0.804 456 E CB 0.000 29.687 29.700 -0.022 0.000 0.745 456 E HN 0.597 nan 8.360 nan 0.000 0.458 460 A N -0.064 122.758 122.820 0.003 0.000 1.908 460 A HA -0.322 3.998 4.320 0.000 0.000 0.218 460 A C 1.940 179.529 177.584 0.009 0.000 1.181 460 A CA 2.713 54.757 52.037 0.012 0.000 0.627 460 A CB -0.498 18.506 19.000 0.006 0.000 0.818 460 A HN 0.644 nan 8.150 nan 0.000 0.445 461 Q N -0.575 119.222 119.800 -0.005 0.000 2.119 461 Q HA -0.201 4.139 4.340 0.000 0.000 0.201 461 Q C 1.730 177.716 176.000 -0.023 0.000 0.972 461 Q CA 1.507 57.298 55.803 -0.020 0.000 0.847 461 Q CB -0.147 28.573 28.738 -0.030 0.000 0.903 461 Q HN 0.679 nan 8.270 nan 0.000 0.433 462 N N 0.669 119.362 118.700 -0.011 0.000 2.069 462 N HA -0.202 4.538 4.740 0.000 0.000 0.191 462 N C 1.658 177.144 175.510 -0.040 0.000 1.031 462 N CA 1.460 54.501 53.050 -0.014 0.000 0.852 462 N CB -0.322 38.166 38.487 0.001 0.000 1.018 462 N HN 0.346 nan 8.380 nan 0.000 0.423 463 Q N 0.477 120.258 119.800 -0.032 0.000 2.096 463 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 463 Q C 1.981 177.974 176.000 -0.012 0.000 0.982 463 Q CA 1.398 57.166 55.803 -0.059 0.000 0.850 463 Q CB -0.109 28.650 28.738 0.034 0.000 0.901 463 Q HN 0.547 nan 8.270 nan 0.000 0.422 464 E N 0.717 120.948 120.200 0.051 0.000 2.110 464 E HA -0.204 4.146 4.350 0.000 0.000 0.193 464 E C 1.825 178.457 176.600 0.053 0.000 0.988 464 E CA 0.936 57.385 56.400 0.082 0.000 0.804 464 E CB -0.069 29.645 29.700 0.022 0.000 0.745 464 E HN 0.361 nan 8.360 nan 0.000 0.458 465 I N 0.526 121.079 120.570 -0.028 0.000 2.179 465 I HA -0.254 3.916 4.170 0.000 0.000 0.242 465 I C 2.418 178.535 176.117 0.000 0.000 1.088 465 I CA 0.775 62.049 61.300 -0.043 0.000 1.357 465 I CB -0.201 37.744 38.000 -0.093 0.000 1.051 465 I HN 0.065 nan 8.210 nan 0.000 0.409 466 V N 0.433 120.275 119.914 -0.120 0.000 2.295 466 V HA -0.305 3.815 4.120 0.000 0.000 0.246 466 V C 2.524 178.470 176.094 -0.247 0.000 1.049 466 V CA 1.885 64.013 62.300 -0.287 0.000 1.024 466 V CB -0.976 30.680 31.823 -0.278 0.000 0.648 466 V HN 0.426 nan 8.190 nan 0.000 0.447 467 H N -2.060 116.994 119.070 -0.026 0.000 2.353 467 H HA -0.217 4.339 4.556 0.000 0.000 0.300 467 H C 2.007 177.335 175.328 -0.001 0.000 1.090 467 H CA 1.884 57.923 56.048 -0.014 0.000 1.327 467 H CB -0.425 29.339 29.762 0.004 0.000 1.383 467 H HN 0.675 nan 8.280 nan 0.000 0.508 468 W N 1.323 122.608 121.300 -0.024 0.000 2.342 468 W HA -0.229 4.431 4.660 -0.000 0.000 0.297 468 W C 2.371 178.833 176.519 -0.094 0.000 1.213 468 W CA 1.468 58.771 57.345 -0.070 0.000 1.251 468 W CB -0.622 28.769 29.460 -0.115 0.000 1.136 468 W HN 0.076 nan 8.180 nan 0.000 0.526 469 C N -0.478 118.797 119.300 -0.041 0.000 2.432 469 C HA -0.200 4.260 4.460 0.000 0.000 0.277 469 C C 2.774 177.612 174.990 -0.253 0.000 1.249 469 C CA 1.329 60.178 59.018 -0.283 0.000 1.725 469 C CB -1.360 26.101 27.740 -0.465 0.000 2.028 469 C HN 0.258 nan 8.230 nan 0.000 0.477 470 V N 1.138 120.956 119.914 -0.159 0.000 2.343 470 V HA -0.230 3.890 4.120 0.000 0.000 0.247 470 V C 2.511 178.562 176.094 -0.072 0.000 1.051 470 V CA 2.120 64.408 62.300 -0.019 0.000 1.036 470 V CB -0.688 31.169 31.823 0.057 0.000 0.654 470 V HN 0.581 nan 8.190 nan 0.000 0.451 471 K N 0.131 120.462 120.400 -0.116 0.000 2.148 471 K HA -0.112 4.208 4.320 0.000 0.000 0.204 471 K C 1.480 177.951 176.600 -0.216 0.000 1.050 471 K CA 1.330 57.536 56.287 -0.135 0.000 0.942 471 K CB -0.067 32.365 32.500 -0.113 0.000 0.724 471 K HN 0.462 nan 8.250 nan 0.000 0.446 472 N N 0.012 118.486 118.700 -0.376 0.000 2.268 472 N HA 0.029 4.769 4.740 0.000 0.000 0.204 472 N C 0.176 175.512 175.510 -0.290 0.000 1.124 472 N CA 0.748 53.544 53.050 -0.423 0.000 0.838 472 N CB 1.132 39.141 38.487 -0.796 0.000 0.994 472 N HN 0.399 nan 8.380 nan 0.000 0.489 473 G N 1.609 110.296 108.800 -0.188 0.000 2.225 473 G HA2 -0.256 3.704 3.960 0.000 0.000 0.267 473 G HA3 -0.256 3.704 3.960 0.000 0.000 0.267 473 G C 0.228 175.088 174.900 -0.066 0.000 1.024 473 G CA -0.198 44.845 45.100 -0.094 0.000 0.784 473 G HN 0.269 nan 8.290 nan 0.000 0.507 474 I N 0.599 121.113 120.570 -0.093 0.000 2.683 474 I HA 0.062 4.232 4.170 0.000 0.000 0.286 474 I C 0.616 176.822 176.117 0.147 0.000 1.175 474 I CA -0.163 61.140 61.300 0.005 0.000 1.429 474 I CB 0.775 38.767 38.000 -0.012 0.000 1.371 474 I HN 0.079 nan 8.210 nan 0.000 0.569 475 D N 7.698 128.166 120.400 0.113 0.000 2.508 475 D HA 0.114 4.754 4.640 0.000 0.000 0.224 475 D C -0.550 175.828 176.300 0.130 0.000 1.171 475 D CA -0.072 53.974 54.000 0.077 0.000 1.006 475 D CB -0.394 40.422 40.800 0.027 0.000 1.073 475 D HN 0.349 nan 8.370 nan 0.000 0.513 476 Y N 0.467 120.781 120.300 0.023 0.000 2.549 476 Y HA 0.728 5.278 4.550 0.000 0.000 0.339 476 Y C -1.100 174.839 175.900 0.064 0.000 1.053 476 Y CA -1.094 57.042 58.100 0.060 0.000 1.105 476 Y CB 1.406 39.924 38.460 0.096 0.000 1.258 476 Y HN -0.226 nan 8.280 nan 0.000 0.478 477 K N 4.146 124.413 120.400 -0.222 0.000 2.513 477 K HA 0.383 4.703 4.320 0.000 0.000 0.251 477 K C -1.167 175.525 176.600 0.154 0.000 0.939 477 K CA -0.664 55.457 56.287 -0.276 0.000 0.793 477 K CB 2.673 35.095 32.500 -0.130 0.000 1.241 477 K HN 0.868 nan 8.250 nan 0.000 0.431 478 L N 2.442 123.807 121.223 0.236 0.000 2.456 478 L HA 0.097 4.437 4.340 0.000 0.000 0.272 478 L C 0.067 177.099 176.870 0.271 0.000 1.189 478 L CA -0.194 54.776 54.840 0.218 0.000 0.846 478 L CB -0.080 41.995 42.059 0.027 0.000 1.111 478 L HN 0.490 nan 8.230 nan 0.000 0.475 479 Y N 3.628 123.907 120.300 -0.034 0.000 2.361 479 Y HA 0.394 4.944 4.550 0.000 0.000 0.332 479 Y C 0.395 176.328 175.900 0.055 0.000 1.101 479 Y CA -1.367 56.730 58.100 -0.004 0.000 1.137 479 Y CB 0.923 39.141 38.460 -0.403 0.000 1.207 479 Y HN 0.428 nan 8.280 nan 0.000 0.463 480 L N 4.962 125.967 121.223 -0.363 0.000 3.601 480 L HA -0.186 4.154 4.340 0.000 0.000 0.469 480 L C -2.380 174.451 176.870 -0.065 0.000 1.294 480 L CA -0.310 54.385 54.840 -0.241 0.000 0.829 480 L CB -1.631 40.245 42.059 -0.305 0.000 1.628 480 L HN 0.491 nan 8.230 nan 0.000 0.868 481 P HA 0.121 nan 4.420 nan 0.000 0.271 481 P C -0.620 176.618 177.300 -0.103 0.000 1.216 481 P CA 0.412 63.393 63.100 -0.198 0.000 0.776 481 P CB 1.006 32.492 31.700 -0.357 0.000 0.881 482 H N 1.687 120.412 119.070 -0.576 0.000 2.924 482 H HA 0.538 5.094 4.556 0.000 0.000 0.333 482 H C -1.530 173.341 175.328 -0.763 0.000 0.979 482 H CA -0.335 55.487 56.048 -0.376 0.000 1.326 482 H CB 0.364 30.020 29.762 -0.178 0.000 1.600 482 H HN 0.230 nan 8.280 nan 0.000 0.520 483 Y N 2.568 122.389 120.300 -0.798 0.000 2.581 483 Y HA 0.322 4.872 4.550 0.000 0.000 0.345 483 Y C 0.672 176.258 175.900 -0.524 0.000 1.036 483 Y CA -0.983 56.587 58.100 -0.883 0.000 1.042 483 Y CB 2.137 39.670 38.460 -1.545 0.000 1.289 483 Y HN 0.569 nan 8.280 nan 0.000 0.471 484 K N 0.095 120.396 120.400 -0.165 0.000 2.402 484 K HA 0.201 4.521 4.320 0.000 0.000 0.203 484 K C -0.159 176.475 176.600 0.057 0.000 1.077 484 K CA 0.133 56.411 56.287 -0.014 0.000 1.051 484 K CB 0.870 33.344 32.500 -0.042 0.000 0.907 484 K HN 0.541 nan 8.250 nan 0.000 0.554 485 S N -0.224 115.465 115.700 -0.017 0.000 2.537 485 S HA 0.237 4.707 4.470 0.000 0.000 0.301 485 S C 0.841 175.449 174.600 0.014 0.000 1.092 485 S CA -0.832 57.365 58.200 -0.006 0.000 1.048 485 S CB 2.017 65.181 63.200 -0.060 0.000 1.053 485 S HN -0.092 nan 8.310 nan 0.000 0.501 486 Q N 1.790 121.612 119.800 0.036 0.000 2.084 486 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 486 Q C 2.092 177.992 176.000 -0.166 0.000 0.978 486 Q CA 2.316 58.116 55.803 -0.006 0.000 0.844 486 Q CB -0.514 28.230 28.738 0.010 0.000 0.898 486 Q HN 1.048 nan 8.270 nan 0.000 0.426 487 E N 0.494 120.600 120.200 -0.157 0.000 2.110 487 E HA -0.198 4.152 4.350 0.000 0.000 0.193 487 E C 1.555 177.970 176.600 -0.309 0.000 0.988 487 E CA 1.203 57.479 56.400 -0.207 0.000 0.804 487 E CB -0.188 29.430 29.700 -0.137 0.000 0.745 487 E HN 0.399 nan 8.360 nan 0.000 0.458 488 E N 0.341 120.305 120.200 -0.393 0.000 2.072 488 E HA -0.130 4.221 4.350 0.000 0.000 0.191 488 E C 1.674 177.760 176.600 -0.857 0.000 0.985 488 E CA 1.285 57.248 56.400 -0.728 0.000 0.801 488 E CB -0.199 28.930 29.700 -0.951 0.000 0.750 488 E HN 0.427 nan 8.360 nan 0.000 0.452 489 W N 0.801 121.797 121.300 -0.507 0.000 2.363 489 W HA -0.088 4.572 4.660 -0.000 0.000 0.296 489 W C 2.045 178.272 176.519 -0.488 0.000 1.212 489 W CA 0.304 57.418 57.345 -0.384 0.000 1.260 489 W CB -0.126 29.175 29.460 -0.265 0.000 1.131 489 W HN 0.035 nan 8.180 nan 0.000 0.530 490 I N 0.023 120.236 120.570 -0.594 0.000 2.226 490 I HA -0.313 3.857 4.170 0.000 0.000 0.245 490 I C 2.667 178.614 176.117 -0.283 0.000 1.100 490 I CA 1.391 62.240 61.300 -0.752 0.000 1.374 490 I CB -0.591 36.948 38.000 -0.769 0.000 1.057 490 I HN -0.038 nan 8.210 nan 0.000 0.413 491 R N 0.173 120.508 120.500 -0.275 0.000 2.073 491 R HA -0.262 4.078 4.340 0.000 0.000 0.234 491 R C 2.498 178.685 176.300 -0.188 0.000 1.134 491 R CA 2.042 58.016 56.100 -0.211 0.000 0.952 491 R CB -0.409 29.741 30.300 -0.250 0.000 0.850 491 R HN 0.388 nan 8.270 nan 0.000 0.433 492 H N -0.436 118.423 119.070 -0.353 0.000 2.267 492 H HA -0.166 4.390 4.556 0.000 0.000 0.297 492 H C 1.584 176.769 175.328 -0.239 0.000 1.080 492 H CA 2.633 58.476 56.048 -0.341 0.000 1.278 492 H CB -0.413 29.119 29.762 -0.383 0.000 1.365 492 H HN 0.207 nan 8.280 nan 0.000 0.489 493 F N 0.497 120.470 119.950 0.039 0.000 2.365 493 F HA 0.057 4.584 4.527 0.000 0.000 0.300 493 F C 2.261 178.093 175.800 0.054 0.000 1.090 493 F CA 1.043 59.089 58.000 0.076 0.000 1.408 493 F CB -0.705 38.520 39.000 0.375 0.000 1.060 493 F HN 0.562 nan 8.300 nan 0.000 0.534 494 G N 1.669 110.560 108.800 0.152 0.000 2.651 494 G HA2 -0.512 3.448 3.960 0.000 0.000 0.315 494 G HA3 -0.512 3.448 3.960 0.000 0.000 0.315 494 G C 0.971 175.974 174.900 0.171 0.000 1.258 494 G CA 0.813 45.964 45.100 0.085 0.000 1.002 494 G HN 0.465 nan 8.290 nan 0.000 0.551 495 N N 0.957 119.724 118.700 0.112 0.000 2.571 495 N HA 0.017 4.757 4.740 0.000 0.000 0.189 495 N C 1.558 177.163 175.510 0.158 0.000 1.154 495 N CA 1.282 54.403 53.050 0.119 0.000 0.907 495 N CB 0.026 38.551 38.487 0.063 0.000 0.977 495 N HN 0.477 nan 8.380 nan 0.000 0.449 496 R N -0.861 119.776 120.500 0.227 0.000 2.468 496 R HA 0.101 4.441 4.340 0.000 0.000 0.280 496 R C 1.039 177.546 176.300 0.344 0.000 0.963 496 R CA -0.357 55.897 56.100 0.256 0.000 1.083 496 R CB -0.846 29.617 30.300 0.272 0.000 1.200 496 R HN 0.433 nan 8.270 nan 0.000 0.541 497 W N 1.997 123.409 121.300 0.185 0.000 2.354 497 W HA -0.226 4.434 4.660 -0.000 0.000 0.315 497 W C 1.553 178.156 176.519 0.140 0.000 1.206 497 W CA 2.027 59.470 57.345 0.164 0.000 1.290 497 W CB 0.032 29.602 29.460 0.183 0.000 1.152 497 W HN 0.155 nan 8.180 nan 0.000 0.489 498 S N 0.720 116.429 115.700 0.015 0.000 2.382 498 S HA -0.283 4.187 4.470 0.000 0.000 0.228 498 S C 2.024 176.544 174.600 -0.133 0.000 1.027 498 S CA 1.425 59.548 58.200 -0.129 0.000 0.991 498 S CB -0.872 62.328 63.200 0.000 0.000 0.823 498 S HN 0.413 nan 8.310 nan 0.000 0.469 499 R N -0.316 120.164 120.500 -0.033 0.000 2.081 499 R HA -0.070 4.270 4.340 0.000 0.000 0.235 499 R C 2.125 178.387 176.300 -0.063 0.000 1.131 499 R CA 1.563 57.643 56.100 -0.032 0.000 0.960 499 R CB -0.527 29.794 30.300 0.036 0.000 0.856 499 R HN 0.481 nan 8.270 nan 0.000 0.436 500 F N 0.578 120.389 119.950 -0.231 0.000 2.134 500 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 500 F C 2.105 177.782 175.800 -0.205 0.000 1.097 500 F CA 1.441 59.291 58.000 -0.249 0.000 1.264 500 F CB -0.255 38.380 39.000 -0.608 0.000 1.001 500 F HN -0.184 nan 8.300 nan 0.000 0.479 501 V N 0.048 119.777 119.914 -0.308 0.000 2.295 501 V HA -0.307 3.813 4.120 0.000 0.000 0.246 501 V C 2.105 178.047 176.094 -0.254 0.000 1.049 501 V CA 2.141 64.271 62.300 -0.283 0.000 1.024 501 V CB -0.692 30.859 31.823 -0.453 0.000 0.648 501 V HN 0.243 nan 8.190 nan 0.000 0.447 502 D N 0.054 120.314 120.400 -0.233 0.000 2.116 502 D HA -0.180 4.460 4.640 0.000 0.000 0.193 502 D C 2.409 178.532 176.300 -0.296 0.000 0.998 502 D CA 1.446 55.310 54.000 -0.225 0.000 0.836 502 D CB -0.288 40.406 40.800 -0.178 0.000 0.951 502 D HN 0.400 nan 8.370 nan 0.000 0.449 503 R N 0.295 120.600 120.500 -0.325 0.000 2.096 503 R HA -0.117 4.223 4.340 0.000 0.000 0.235 503 R C 2.181 178.328 176.300 -0.254 0.000 1.127 503 R CA 1.104 56.941 56.100 -0.438 0.000 0.968 503 R CB -0.103 29.744 30.300 -0.756 0.000 0.861 503 R HN 0.008 nan 8.270 nan 0.000 0.440 504 K N 1.121 121.444 120.400 -0.128 0.000 2.026 504 K HA -0.033 4.287 4.320 0.000 0.000 0.208 504 K C 0.725 177.137 176.600 -0.313 0.000 1.048 504 K CA 1.267 57.409 56.287 -0.242 0.000 0.929 504 K CB -0.379 31.556 32.500 -0.942 0.000 0.713 504 K HN 0.185 nan 8.250 nan 0.000 0.439 508 D N 1.526 121.952 120.400 0.042 0.000 3.118 508 D HA 0.257 4.897 4.640 0.000 0.000 0.286 508 D C -2.797 173.413 176.300 -0.151 0.000 1.255 508 D CA -1.577 52.391 54.000 -0.053 0.000 0.748 508 D CB 1.324 42.068 40.800 -0.093 0.000 1.332 508 D HN -0.118 nan 8.370 nan 0.000 0.575 512 I N -2.515 118.040 120.570 -0.026 0.000 3.427 512 I HA 0.391 4.561 4.170 0.000 0.000 0.288 512 I C 0.181 176.295 176.117 -0.004 0.000 1.249 512 I CA 0.227 61.524 61.300 -0.006 0.000 1.421 512 I CB 0.036 38.033 38.000 -0.005 0.000 1.086 512 I HN 0.278 nan 8.210 nan 0.000 0.448 513 L N 1.808 123.016 121.223 -0.025 0.000 2.292 513 L HA 0.340 4.680 4.340 0.000 0.000 0.284 513 L C 0.494 177.355 176.870 -0.015 0.000 1.065 513 L CA -0.636 54.188 54.840 -0.026 0.000 0.806 513 L CB 1.308 43.334 42.059 -0.055 0.000 1.175 513 L HN 0.160 nan 8.230 nan 0.000 0.431 514 S N 2.410 118.113 115.700 0.005 0.000 3.447 514 S HA -0.094 4.376 4.470 0.000 0.000 0.371 514 S C -1.377 173.250 174.600 0.046 0.000 0.951 514 S CA 0.136 58.352 58.200 0.026 0.000 1.269 514 S CB -0.781 62.432 63.200 0.022 0.000 0.919 514 S HN 0.665 nan 8.310 nan 0.000 0.516 515 P HA -0.044 nan 4.420 nan 0.000 0.222 515 P C 1.660 179.017 177.300 0.095 0.000 1.147 515 P CA 1.376 64.520 63.100 0.073 0.000 0.790 515 P CB -0.278 31.460 31.700 0.063 0.000 0.780 516 G N 0.280 109.134 108.800 0.090 0.000 2.535 516 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 516 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 516 G C 1.563 176.569 174.900 0.177 0.000 1.122 516 G CA 0.224 45.393 45.100 0.115 0.000 0.769 516 G HN 0.251 nan 8.290 nan 0.000 0.549 517 Q N 0.056 119.950 119.800 0.156 0.000 2.297 517 Q HA -0.006 4.334 4.340 0.000 0.000 0.204 517 Q C 0.894 177.038 176.000 0.240 0.000 0.962 517 Q CA 0.641 56.565 55.803 0.202 0.000 0.879 517 Q CB 0.046 28.839 28.738 0.092 0.000 0.947 517 Q HN 0.385 nan 8.270 nan 0.000 0.462 518 K N -0.653 119.849 120.400 0.170 0.000 3.230 518 K HA -0.194 4.126 4.320 0.000 0.000 0.285 518 K C 0.949 177.591 176.600 0.069 0.000 1.196 518 K CA 0.700 57.098 56.287 0.185 0.000 0.838 518 K CB -2.170 30.497 32.500 0.278 0.000 1.262 518 K HN 0.317 nan 8.250 nan 0.000 0.492 519 I N -1.123 119.290 120.570 -0.262 0.000 2.585 519 I HA -0.010 4.160 4.170 0.000 0.000 0.254 519 I C 0.720 176.512 176.117 -0.542 0.000 1.129 519 I CA 0.902 61.748 61.300 -0.756 0.000 1.455 519 I CB 0.090 37.568 38.000 -0.869 0.000 1.111 519 I HN -0.053 nan 8.210 nan 0.000 0.433 520 F N 0.921 120.873 119.950 0.003 0.000 2.540 520 F HA 0.403 4.930 4.527 -0.000 0.000 0.317 520 F C -0.117 175.710 175.800 0.044 0.000 1.104 520 F CA -1.048 56.981 58.000 0.048 0.000 0.913 520 F CB 0.966 39.969 39.000 0.006 0.000 1.170 520 F HN -0.151 nan 8.300 nan 0.000 0.450 521 N N 1.946 120.785 118.700 0.232 0.000 2.498 521 N HA 0.258 4.998 4.740 0.000 0.000 0.287 521 N C -0.156 175.434 175.510 0.133 0.000 1.097 521 N CA -0.690 52.453 53.050 0.153 0.000 0.973 521 N CB 1.330 39.890 38.487 0.121 0.000 1.153 521 N HN 0.572 nan 8.380 nan 0.000 0.472 522 R N 0.714 121.270 120.500 0.092 0.000 2.583 522 R HA -0.034 4.306 4.340 0.000 0.000 0.274 522 R C 0.287 176.620 176.300 0.054 0.000 0.998 522 R CA 0.069 56.206 56.100 0.062 0.000 1.081 522 R CB 0.320 30.648 30.300 0.047 0.000 0.940 522 R HN 0.763 nan 8.270 nan 0.000 0.413 523 S N 4.070 119.792 115.700 0.036 0.000 2.568 523 S HA 0.073 4.543 4.470 0.000 0.000 0.282 523 S C 0.745 175.362 174.600 0.028 0.000 1.338 523 S CA -0.663 57.555 58.200 0.030 0.000 1.045 523 S CB 0.588 63.795 63.200 0.011 0.000 0.873 523 S HN 0.473 nan 8.310 nan 0.000 0.516 524 L N 0.000 121.240 121.223 0.029 0.000 2.949 524 L HA 0.000 4.340 4.340 0.000 0.000 0.249 524 L CA 0.000 54.855 54.840 0.025 0.000 0.813 524 L CB 0.000 42.075 42.059 0.026 0.000 0.961 524 L HN 0.000 nan 8.230 nan 0.000 0.502