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 1hyn_1_R DATA FIRST_RESID 56 DATA SEQUENCE KVYVELQELV MDEKNQELRW MEAARWVQLE ENLGENGAWG RPHLSHLTFW DATA SEQUENCE SLLELRRVFT KGTVLLDLQE TSLAGVANQL LDRFIFEDQI RPQDREELLR DATA SEQUENCE ALLLKHSHAG ELEALGGVKP AVLTRSGDPS QPLLPQHSSL ETQLFCEQGD DATA SEQUENCE GGTEGHSPSG ILEKIPPDSE ATLVLVGRAD FLEQPVLGFV RLQEAAELEA DATA SEQUENCE VELPVPIRFL FVLLGPEAPH IDYTQLGRAA ATLMSERVFR IDAYMAQSRG DATA SEQUENCE ELLHSLEGFL DCSLVLPPTD APSEQALLSL VPVQRELLRR RYQSSPAKPD 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 56 K HA 0.000 nan 4.320 nan 0.000 0.191 56 K C 0.000 176.707 176.600 0.178 0.000 0.988 56 K CA 0.000 56.371 56.287 0.140 0.000 0.838 56 K CB 0.000 32.588 32.500 0.146 0.000 1.064 57 V N 0.952 120.998 119.914 0.220 0.000 4.760 57 V HA -0.275 3.844 4.120 -0.000 0.000 0.419 57 V C -0.274 175.955 176.094 0.225 0.000 0.686 57 V CA 0.718 63.166 62.300 0.247 0.000 1.642 57 V CB -1.479 30.507 31.823 0.272 0.000 1.965 57 V HN 0.723 nan 8.190 nan 0.000 0.481 58 Y N 5.831 126.200 120.300 0.115 0.000 2.377 58 Y HA 0.534 5.083 4.550 -0.000 0.000 0.330 58 Y C 0.097 176.072 175.900 0.124 0.000 1.108 58 Y CA -0.362 57.800 58.100 0.104 0.000 1.308 58 Y CB 1.215 39.714 38.460 0.066 0.000 1.216 58 Y HN 0.414 nan 8.280 nan 0.000 0.518 59 V N 6.768 126.474 119.914 -0.347 0.000 2.555 59 V HA 0.371 4.491 4.120 -0.000 0.000 0.302 59 V C -0.656 175.245 176.094 -0.321 0.000 1.038 59 V CA -1.035 61.109 62.300 -0.260 0.000 0.887 59 V CB 1.587 33.273 31.823 -0.229 0.000 0.991 59 V HN 0.829 nan 8.190 nan 0.000 0.434 60 E N 3.043 123.158 120.200 -0.142 0.000 2.248 60 E HA 0.637 4.987 4.350 -0.000 0.000 0.267 60 E C -1.813 174.910 176.600 0.205 0.000 0.877 60 E CA -0.820 55.615 56.400 0.059 0.000 0.759 60 E CB 2.176 31.951 29.700 0.125 0.000 1.182 60 E HN 0.578 nan 8.360 nan 0.000 0.418 61 L N 3.677 125.118 121.223 0.364 0.000 2.313 61 L HA 0.421 4.761 4.340 -0.000 0.000 0.283 61 L C -1.291 175.768 176.870 0.315 0.000 1.013 61 L CA 0.001 55.041 54.840 0.334 0.000 0.816 61 L CB 1.414 43.761 42.059 0.480 0.000 1.236 61 L HN 0.579 nan 8.230 nan 0.000 0.419 62 Q N 3.628 123.604 119.800 0.294 0.000 2.394 62 Q HA 0.552 4.892 4.340 -0.000 0.000 0.273 62 Q C -1.402 174.862 176.000 0.440 0.000 1.089 62 Q CA -0.717 55.295 55.803 0.349 0.000 0.812 62 Q CB 2.973 31.934 28.738 0.372 0.000 1.353 62 Q HN 0.669 nan 8.270 nan 0.000 0.438 63 E N 1.697 122.124 120.200 0.377 0.000 2.317 63 E HA 0.341 4.691 4.350 -0.000 0.000 0.270 63 E C -1.192 175.369 176.600 -0.066 0.000 0.885 63 E CA -0.690 55.860 56.400 0.251 0.000 0.760 63 E CB 1.536 31.310 29.700 0.122 0.000 1.227 63 E HN 0.518 nan 8.360 nan 0.000 0.434 64 L N 4.158 125.065 121.223 -0.528 0.000 2.562 64 L HA 0.139 4.479 4.340 -0.000 0.000 0.271 64 L C -0.365 176.242 176.870 -0.438 0.000 1.167 64 L CA 0.220 54.515 54.840 -0.909 0.000 0.917 64 L CB 0.440 41.961 42.059 -0.896 0.000 1.187 64 L HN 0.409 nan 8.230 nan 0.000 0.482 65 V N 5.853 125.546 119.914 -0.368 0.000 3.164 65 V HA 0.570 4.690 4.120 -0.000 0.000 0.313 65 V C -0.593 175.386 176.094 -0.192 0.000 1.188 65 V CA -0.862 61.310 62.300 -0.214 0.000 1.058 65 V CB 2.576 34.318 31.823 -0.135 0.000 1.110 65 V HN 0.778 nan 8.190 nan 0.000 0.453 66 M N 3.238 122.759 119.600 -0.131 0.000 2.124 66 M HA 0.413 4.893 4.480 -0.000 0.000 0.280 66 M C -1.321 174.933 176.300 -0.077 0.000 0.954 66 M CA -0.653 54.584 55.300 -0.106 0.000 0.958 66 M CB 1.423 33.966 32.600 -0.096 0.000 1.611 66 M HN 0.829 nan 8.290 nan 0.000 0.449 67 D N 4.387 124.748 120.400 -0.065 0.000 2.417 67 D HA -0.002 4.638 4.640 -0.000 0.000 0.250 67 D C 0.029 176.305 176.300 -0.040 0.000 1.166 67 D CA 0.067 54.039 54.000 -0.047 0.000 0.881 67 D CB 1.052 41.830 40.800 -0.037 0.000 1.164 67 D HN 0.764 nan 8.370 nan 0.000 0.467 68 E N 1.956 122.134 120.200 -0.036 0.000 2.118 68 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 68 E C 1.721 178.306 176.600 -0.024 0.000 0.992 68 E CA 1.384 57.766 56.400 -0.030 0.000 0.804 68 E CB -0.122 29.561 29.700 -0.028 0.000 0.741 68 E HN 0.639 nan 8.360 nan 0.000 0.458 69 K N 0.230 120.618 120.400 -0.021 0.000 2.555 69 K HA -0.006 4.314 4.320 -0.000 0.000 0.193 69 K C 0.882 177.473 176.600 -0.015 0.000 1.032 69 K CA 1.384 57.662 56.287 -0.016 0.000 1.004 69 K CB 0.227 32.720 32.500 -0.012 0.000 0.804 69 K HN 0.019 nan 8.250 nan 0.000 0.496 70 N N -1.497 117.191 118.700 -0.019 0.000 1.983 70 N HA -0.009 4.730 4.740 -0.000 0.000 0.234 70 N C -0.719 174.777 175.510 -0.023 0.000 1.339 70 N CA -0.081 52.958 53.050 -0.018 0.000 0.826 70 N CB 0.712 39.190 38.487 -0.016 0.000 1.156 70 N HN 0.004 nan 8.380 nan 0.000 0.468 71 Q N 0.820 120.602 119.800 -0.030 0.000 2.465 71 Q HA -0.151 4.189 4.340 -0.000 0.000 0.248 71 Q C -1.278 174.697 176.000 -0.041 0.000 0.819 71 Q CA 0.856 56.638 55.803 -0.036 0.000 1.219 71 Q CB -1.664 27.056 28.738 -0.030 0.000 1.472 71 Q HN 0.510 nan 8.270 nan 0.000 0.630 72 E N -0.312 119.864 120.200 -0.041 0.000 2.349 72 E HA 0.379 4.729 4.350 -0.000 0.000 0.265 72 E C -0.477 176.081 176.600 -0.069 0.000 1.064 72 E CA -0.685 55.688 56.400 -0.044 0.000 0.886 72 E CB 0.761 30.442 29.700 -0.032 0.000 1.036 72 E HN 0.107 nan 8.360 nan 0.000 0.413 73 L N 3.139 124.314 121.223 -0.081 0.000 2.272 73 L HA 0.373 4.713 4.340 -0.000 0.000 0.289 73 L C -0.457 176.321 176.870 -0.154 0.000 1.032 73 L CA 0.196 54.956 54.840 -0.134 0.000 0.810 73 L CB 0.457 42.434 42.059 -0.136 0.000 1.205 73 L HN 0.576 nan 8.230 nan 0.000 0.422 74 R N 1.979 122.349 120.500 -0.218 0.000 2.781 74 R HA 0.572 4.911 4.340 -0.000 0.000 0.268 74 R C -1.896 174.195 176.300 -0.350 0.000 1.047 74 R CA -1.036 54.940 56.100 -0.208 0.000 0.925 74 R CB 0.641 30.893 30.300 -0.081 0.000 1.246 74 R HN 0.343 nan 8.270 nan 0.000 0.456 75 W N 1.114 122.262 121.300 -0.253 0.000 2.391 75 W HA 0.522 5.182 4.660 -0.001 0.000 0.311 75 W C -0.411 176.021 176.519 -0.144 0.000 1.087 75 W CA -0.557 56.647 57.345 -0.234 0.000 1.209 75 W CB 1.747 30.934 29.460 -0.455 0.000 1.273 75 W HN 0.407 nan 8.180 nan 0.000 0.482 76 M N 3.103 122.767 119.600 0.106 0.000 2.311 76 M HA 0.273 4.753 4.480 -0.000 0.000 0.325 76 M C -0.209 176.175 176.300 0.141 0.000 1.061 76 M CA -0.853 54.488 55.300 0.069 0.000 0.957 76 M CB 1.384 33.989 32.600 0.008 0.000 1.646 76 M HN 0.447 nan 8.290 nan 0.000 0.434 77 E N 3.158 123.456 120.200 0.164 0.000 2.480 77 E HA 0.260 4.610 4.350 -0.000 0.000 0.258 77 E C -0.177 176.536 176.600 0.189 0.000 0.984 77 E CA 0.437 56.997 56.400 0.266 0.000 0.930 77 E CB 0.728 30.674 29.700 0.411 0.000 0.936 77 E HN 0.865 nan 8.360 nan 0.000 0.466 78 A N 4.108 127.063 122.820 0.225 0.000 1.963 78 A HA 0.487 4.807 4.320 -0.000 0.000 0.207 78 A C 0.453 178.157 177.584 0.199 0.000 1.243 78 A CA 0.852 52.982 52.037 0.156 0.000 0.728 78 A CB 0.428 19.527 19.000 0.166 0.000 0.895 78 A HN 0.661 nan 8.150 nan 0.000 0.467 79 A N -0.499 122.510 122.820 0.314 0.000 2.612 79 A HA 0.676 4.996 4.320 -0.000 0.000 0.293 79 A C -0.693 177.005 177.584 0.189 0.000 1.075 79 A CA -0.557 51.618 52.037 0.229 0.000 0.680 79 A CB 0.919 19.841 19.000 -0.130 0.000 1.279 79 A HN 0.697 nan 8.150 nan 0.000 0.411 80 R N 0.143 120.556 120.500 -0.145 0.000 2.867 80 R HA 0.803 5.143 4.340 -0.000 0.000 0.268 80 R C -1.676 174.428 176.300 -0.327 0.000 1.014 80 R CA -0.779 55.230 56.100 -0.152 0.000 0.946 80 R CB 1.580 31.682 30.300 -0.330 0.000 1.208 80 R HN 0.690 nan 8.270 nan 0.000 0.477 81 W N 0.782 121.878 121.300 -0.340 0.000 3.022 81 W HA 0.500 5.160 4.660 -0.001 0.000 0.335 81 W C -1.172 175.239 176.519 -0.180 0.000 1.133 81 W CA -0.909 56.296 57.345 -0.233 0.000 1.219 81 W CB 2.743 32.092 29.460 -0.186 0.000 1.409 81 W HN 0.280 nan 8.180 nan 0.000 0.507 82 V N 3.410 123.399 119.914 0.125 0.000 2.703 82 V HA 0.054 4.174 4.120 -0.000 0.000 0.290 82 V C 0.451 176.605 176.094 0.100 0.000 1.035 82 V CA -0.033 62.344 62.300 0.128 0.000 1.185 82 V CB 0.499 32.386 31.823 0.107 0.000 1.178 82 V HN 0.853 nan 8.190 nan 0.000 0.562 83 Q N -0.155 119.732 119.800 0.146 0.000 3.458 83 Q HA -0.256 4.083 4.340 -0.000 0.000 0.210 83 Q C 0.554 176.623 176.000 0.114 0.000 2.737 83 Q CA 1.996 57.879 55.803 0.133 0.000 0.294 83 Q CB -0.683 28.112 28.738 0.096 0.000 0.233 83 Q HN 0.541 nan 8.270 nan 0.000 0.500 84 L N 1.311 122.539 121.223 0.008 0.000 2.439 84 L HA 0.331 4.670 4.340 -0.000 0.000 0.259 84 L C 0.436 177.120 176.870 -0.310 0.000 1.129 84 L CA -0.020 54.740 54.840 -0.134 0.000 0.803 84 L CB 0.963 42.935 42.059 -0.145 0.000 1.161 84 L HN 0.203 nan 8.230 nan 0.000 0.462 85 E N 1.036 120.841 120.200 -0.658 0.000 2.207 85 E HA 0.390 4.739 4.350 -0.000 0.000 0.270 85 E C -1.372 174.719 176.600 -0.848 0.000 0.927 85 E CA -0.541 55.217 56.400 -1.070 0.000 0.799 85 E CB 1.623 30.532 29.700 -1.320 0.000 1.172 85 E HN 0.515 nan 8.360 nan 0.000 0.404 86 E N 2.543 122.365 120.200 -0.631 0.000 2.293 86 E HA 0.374 4.724 4.350 -0.000 0.000 0.270 86 E C -1.143 175.473 176.600 0.025 0.000 0.879 86 E CA -0.998 55.280 56.400 -0.203 0.000 0.756 86 E CB 1.828 31.469 29.700 -0.098 0.000 1.208 86 E HN 0.431 nan 8.360 nan 0.000 0.428 87 N N 2.096 120.920 118.700 0.207 0.000 2.314 87 N HA 0.310 5.050 4.740 -0.000 0.000 0.304 87 N C -0.808 174.762 175.510 0.100 0.000 1.073 87 N CA -0.605 52.560 53.050 0.191 0.000 0.822 87 N CB 2.003 40.581 38.487 0.153 0.000 1.280 87 N HN 0.329 nan 8.380 nan 0.000 0.489 88 L N 1.700 122.808 121.223 -0.192 0.000 2.313 88 L HA 0.261 4.601 4.340 -0.000 0.000 0.282 88 L C 1.114 177.821 176.870 -0.271 0.000 1.092 88 L CA -0.201 54.285 54.840 -0.590 0.000 0.831 88 L CB 0.268 41.863 42.059 -0.774 0.000 1.159 88 L HN 0.603 nan 8.230 nan 0.000 0.442 89 G N 2.533 111.194 108.800 -0.231 0.000 2.606 89 G HA2 0.079 4.039 3.960 -0.000 0.000 0.252 89 G HA3 0.079 4.039 3.960 -0.000 0.000 0.252 89 G C 0.833 175.653 174.900 -0.132 0.000 1.206 89 G CA -0.112 44.915 45.100 -0.122 0.000 0.861 89 G HN 0.904 nan 8.290 nan 0.000 0.561 90 E N 0.020 120.170 120.200 -0.084 0.000 2.209 90 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 90 E C 1.736 178.290 176.600 -0.076 0.000 0.993 90 E CA 1.705 58.061 56.400 -0.074 0.000 0.819 90 E CB -0.145 29.525 29.700 -0.050 0.000 0.745 90 E HN 0.499 nan 8.360 nan 0.000 0.477 91 N N 0.548 119.202 118.700 -0.077 0.000 2.459 91 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 91 N C 1.479 176.936 175.510 -0.087 0.000 1.046 91 N CA 1.117 54.126 53.050 -0.068 0.000 0.904 91 N CB -0.054 38.400 38.487 -0.054 0.000 0.964 91 N HN 0.453 nan 8.380 nan 0.000 0.444 92 G N -1.219 107.495 108.800 -0.142 0.000 2.176 92 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.232 92 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.232 92 G C 0.041 174.795 174.900 -0.244 0.000 0.986 92 G CA 0.106 45.096 45.100 -0.184 0.000 0.643 92 G HN 0.798 nan 8.290 nan 0.000 0.522 93 A N -0.311 122.387 122.820 -0.203 0.000 2.309 93 A HA 0.650 4.970 4.320 -0.000 0.000 0.298 93 A C -0.039 177.423 177.584 -0.203 0.000 1.165 93 A CA -0.481 51.465 52.037 -0.152 0.000 0.821 93 A CB 0.461 19.420 19.000 -0.068 0.000 1.102 93 A HN 0.543 nan 8.150 nan 0.000 0.500 94 W N 1.670 122.979 121.300 0.015 0.000 2.238 94 W HA 0.464 5.123 4.660 -0.001 0.000 0.321 94 W C 0.985 177.518 176.519 0.024 0.000 1.293 94 W CA 0.622 57.980 57.345 0.022 0.000 1.204 94 W CB 1.121 30.597 29.460 0.026 0.000 1.167 94 W HN 0.927 nan 8.180 nan 0.000 0.553 95 G N 2.111 111.085 108.800 0.291 0.000 2.528 95 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 95 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 95 G C -0.438 174.586 174.900 0.207 0.000 1.192 95 G CA -1.171 44.069 45.100 0.233 0.000 0.921 95 G HN 0.618 nan 8.290 nan 0.000 0.512 96 R N 0.630 121.245 120.500 0.193 0.000 2.734 96 R HA 0.245 4.585 4.340 -0.000 0.000 0.266 96 R C -2.381 173.924 176.300 0.008 0.000 1.044 96 R CA -0.794 55.379 56.100 0.121 0.000 1.128 96 R CB 0.002 30.406 30.300 0.174 0.000 1.010 96 R HN 0.260 nan 8.270 nan 0.000 0.461 97 P HA 0.121 nan 4.420 nan 0.000 0.277 97 P C -1.172 176.037 177.300 -0.151 0.000 1.240 97 P CA 0.056 63.059 63.100 -0.162 0.000 0.798 97 P CB 0.973 32.598 31.700 -0.125 0.000 0.979 98 H N -0.154 118.705 119.070 -0.352 0.000 3.014 98 H HA 0.362 4.917 4.556 -0.000 0.000 0.337 98 H C -1.204 173.972 175.328 -0.252 0.000 1.320 98 H CA -1.062 54.805 56.048 -0.303 0.000 1.128 98 H CB -0.054 29.385 29.762 -0.538 0.000 1.862 98 H HN 0.053 nan 8.280 nan 0.000 0.536 99 L N 1.596 122.746 121.223 -0.121 0.000 2.416 99 L HA 0.178 4.517 4.340 -0.000 0.000 0.272 99 L C 0.634 177.271 176.870 -0.388 0.000 1.161 99 L CA 0.147 54.866 54.840 -0.202 0.000 0.845 99 L CB 0.822 42.826 42.059 -0.092 0.000 1.119 99 L HN 0.537 nan 8.230 nan 0.000 0.464 100 S N 1.427 116.976 115.700 -0.253 0.000 2.528 100 S HA 0.324 4.793 4.470 -0.000 0.000 0.277 100 S C -0.519 173.987 174.600 -0.157 0.000 1.297 100 S CA -0.475 57.654 58.200 -0.119 0.000 1.052 100 S CB -0.020 63.279 63.200 0.165 0.000 0.917 100 S HN 0.467 nan 8.310 nan 0.000 0.492 101 H N 1.389 120.599 119.070 0.233 0.000 2.489 101 H HA 0.568 5.124 4.556 -0.000 0.000 0.343 101 H C -0.483 174.954 175.328 0.181 0.000 1.086 101 H CA -0.750 55.405 56.048 0.178 0.000 1.198 101 H CB 0.914 30.778 29.762 0.171 0.000 1.490 101 H HN 0.375 nan 8.280 nan 0.000 0.504 102 L N 1.709 123.082 121.223 0.251 0.000 2.322 102 L HA 0.466 4.805 4.340 -0.000 0.000 0.269 102 L C 0.440 177.419 176.870 0.183 0.000 1.012 102 L CA -1.116 53.845 54.840 0.203 0.000 0.815 102 L CB 1.925 44.084 42.059 0.167 0.000 1.295 102 L HN 0.666 nan 8.230 nan 0.000 0.438 103 T N -2.647 112.015 114.554 0.181 0.000 2.909 103 T HA 0.162 4.512 4.350 -0.000 0.000 0.289 103 T C 0.827 175.627 174.700 0.167 0.000 1.005 103 T CA -0.417 61.804 62.100 0.203 0.000 1.084 103 T CB 0.791 69.813 68.868 0.257 0.000 0.975 103 T HN 0.482 nan 8.240 nan 0.000 0.509 104 F N 1.196 121.136 119.950 -0.017 0.000 2.120 104 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 104 F C 1.620 177.309 175.800 -0.183 0.000 1.095 104 F CA 1.175 59.072 58.000 -0.171 0.000 1.249 104 F CB -0.462 38.326 39.000 -0.354 0.000 0.995 104 F HN 0.729 nan 8.300 nan 0.000 0.480 105 W N 0.604 121.948 121.300 0.073 0.000 2.388 105 W HA -0.163 4.497 4.660 -0.001 0.000 0.294 105 W C 2.979 179.439 176.519 -0.098 0.000 1.212 105 W CA 1.462 58.788 57.345 -0.032 0.000 1.271 105 W CB -0.820 28.705 29.460 0.108 0.000 1.126 105 W HN 0.156 nan 8.180 nan 0.000 0.535 106 S N 0.174 115.968 115.700 0.157 0.000 2.383 106 S HA -0.150 4.320 4.470 -0.000 0.000 0.227 106 S C 1.719 176.303 174.600 -0.027 0.000 1.026 106 S CA 1.057 59.292 58.200 0.058 0.000 0.981 106 S CB -0.862 62.380 63.200 0.071 0.000 0.818 106 S HN 0.292 nan 8.310 nan 0.000 0.472 107 L N 0.195 121.370 121.223 -0.081 0.000 2.109 107 L HA 0.082 4.421 4.340 -0.000 0.000 0.207 107 L C 2.575 179.323 176.870 -0.205 0.000 1.086 107 L CA 0.698 55.464 54.840 -0.124 0.000 0.760 107 L CB -0.504 41.481 42.059 -0.123 0.000 0.910 107 L HN 0.303 nan 8.230 nan 0.000 0.437 108 L N 0.217 121.223 121.223 -0.363 0.000 2.056 108 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 108 L C 2.398 179.198 176.870 -0.118 0.000 1.078 108 L CA 1.835 56.460 54.840 -0.357 0.000 0.749 108 L CB -0.527 41.187 42.059 -0.575 0.000 0.901 108 L HN 0.164 nan 8.230 nan 0.000 0.433 109 E N -0.344 119.832 120.200 -0.041 0.000 2.047 109 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 109 E C 2.229 178.819 176.600 -0.018 0.000 0.987 109 E CA 1.495 57.893 56.400 -0.004 0.000 0.799 109 E CB -0.586 29.112 29.700 -0.003 0.000 0.752 109 E HN 0.502 nan 8.360 nan 0.000 0.449 110 L N 0.568 121.771 121.223 -0.033 0.000 2.012 110 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 110 L C 2.650 179.564 176.870 0.073 0.000 1.073 110 L CA 2.069 56.907 54.840 -0.003 0.000 0.748 110 L CB -0.358 41.674 42.059 -0.044 0.000 0.891 110 L HN 0.224 nan 8.230 nan 0.000 0.431 111 R N -0.301 120.211 120.500 0.020 0.000 2.096 111 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 111 R C 2.350 178.679 176.300 0.047 0.000 1.127 111 R CA 1.229 57.343 56.100 0.023 0.000 0.968 111 R CB -0.064 30.209 30.300 -0.044 0.000 0.861 111 R HN 0.370 nan 8.270 nan 0.000 0.440 112 R N -0.366 120.153 120.500 0.032 0.000 2.062 112 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 112 R C 2.330 178.672 176.300 0.070 0.000 1.136 112 R CA 1.421 57.545 56.100 0.040 0.000 0.948 112 R CB -0.536 29.783 30.300 0.031 0.000 0.845 112 R HN 0.084 nan 8.270 nan 0.000 0.430 113 V N 0.558 120.515 119.914 0.072 0.000 2.515 113 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 113 V C 1.785 177.964 176.094 0.142 0.000 1.058 113 V CA 1.561 63.908 62.300 0.078 0.000 1.064 113 V CB -0.331 31.515 31.823 0.039 0.000 0.675 113 V HN 0.274 nan 8.190 nan 0.000 0.461 114 F N 0.171 120.137 119.950 0.026 0.000 2.206 114 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 114 F C 2.432 178.241 175.800 0.015 0.000 1.090 114 F CA 1.627 59.647 58.000 0.034 0.000 1.323 114 F CB -0.002 38.996 39.000 -0.002 0.000 1.028 114 F HN 0.138 nan 8.300 nan 0.000 0.492 115 T N 0.142 114.840 114.554 0.240 0.000 2.803 115 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 115 T C 1.298 176.066 174.700 0.114 0.000 1.052 115 T CA 1.449 63.615 62.100 0.109 0.000 1.136 115 T CB -0.214 68.679 68.868 0.043 0.000 0.864 115 T HN 0.249 nan 8.240 nan 0.000 0.467 116 K N 0.818 121.295 120.400 0.129 0.000 2.440 116 K HA 0.309 4.628 4.320 -0.000 0.000 0.206 116 K C 0.917 177.606 176.600 0.149 0.000 1.025 116 K CA -0.412 55.942 56.287 0.112 0.000 1.135 116 K CB 0.851 33.400 32.500 0.082 0.000 0.856 116 K HN 0.190 nan 8.250 nan 0.000 0.502 117 G N 0.976 109.895 108.800 0.199 0.000 2.491 117 G HA2 0.006 3.965 3.960 -0.000 0.000 0.238 117 G HA3 0.006 3.965 3.960 -0.000 0.000 0.238 117 G C -0.313 174.710 174.900 0.205 0.000 1.277 117 G CA -0.090 45.129 45.100 0.197 0.000 0.851 117 G HN 0.008 nan 8.290 nan 0.000 0.573 118 T N 1.500 116.195 114.554 0.235 0.000 2.727 118 T HA 0.377 4.727 4.350 -0.000 0.000 0.298 118 T C 0.162 174.924 174.700 0.103 0.000 0.942 118 T CA -0.172 62.041 62.100 0.189 0.000 0.997 118 T CB 1.015 70.023 68.868 0.233 0.000 0.917 118 T HN 0.268 nan 8.240 nan 0.000 0.487 119 V N 5.783 125.761 119.914 0.107 0.000 2.459 119 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 119 V C -0.180 175.943 176.094 0.049 0.000 1.029 119 V CA -0.828 61.547 62.300 0.125 0.000 0.874 119 V CB 1.642 33.575 31.823 0.184 0.000 0.985 119 V HN 0.740 nan 8.190 nan 0.000 0.438 120 L N 6.228 127.457 121.223 0.010 0.000 2.401 120 L HA 0.514 4.854 4.340 -0.000 0.000 0.263 120 L C -0.794 176.051 176.870 -0.041 0.000 1.004 120 L CA -0.194 54.617 54.840 -0.049 0.000 0.881 120 L CB 1.248 43.236 42.059 -0.117 0.000 1.219 120 L HN 0.424 nan 8.230 nan 0.000 0.441 121 L N 3.265 124.486 121.223 -0.003 0.000 2.292 121 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 121 L C 0.005 176.848 176.870 -0.045 0.000 1.065 121 L CA -0.503 54.337 54.840 0.000 0.000 0.806 121 L CB 0.891 42.981 42.059 0.052 0.000 1.175 121 L HN 0.572 nan 8.230 nan 0.000 0.431 122 D N 1.860 122.213 120.400 -0.078 0.000 2.746 122 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 122 D C -0.167 176.078 176.300 -0.092 0.000 1.129 122 D CA 0.732 54.680 54.000 -0.087 0.000 0.691 122 D CB -0.783 39.984 40.800 -0.055 0.000 1.077 122 D HN 0.374 nan 8.370 nan 0.000 0.432 123 L N 0.494 121.649 121.223 -0.114 0.000 2.453 123 L HA -0.021 4.319 4.340 -0.000 0.000 0.272 123 L C 0.983 177.789 176.870 -0.107 0.000 1.182 123 L CA 0.516 55.289 54.840 -0.112 0.000 0.858 123 L CB 0.452 42.430 42.059 -0.135 0.000 1.120 123 L HN 0.010 nan 8.230 nan 0.000 0.474 124 Q N 4.658 124.405 119.800 -0.089 0.000 2.963 124 Q HA 0.228 4.568 4.340 -0.000 0.000 0.262 124 Q C -1.110 174.844 176.000 -0.078 0.000 1.318 124 Q CA -0.213 55.543 55.803 -0.079 0.000 1.089 124 Q CB 0.562 29.261 28.738 -0.065 0.000 1.424 124 Q HN 0.435 nan 8.270 nan 0.000 0.560 125 E N 0.433 120.580 120.200 -0.089 0.000 2.340 125 E HA 0.212 4.561 4.350 -0.000 0.000 0.273 125 E C 0.213 176.761 176.600 -0.086 0.000 0.891 125 E CA -0.360 55.990 56.400 -0.083 0.000 0.757 125 E CB 2.037 31.682 29.700 -0.091 0.000 1.231 125 E HN 0.328 nan 8.360 nan 0.000 0.439 126 T N -2.802 111.708 114.554 -0.073 0.000 3.040 126 T HA 0.178 4.527 4.350 -0.000 0.000 0.266 126 T C 0.628 175.286 174.700 -0.069 0.000 1.005 126 T CA -0.252 61.805 62.100 -0.071 0.000 0.906 126 T CB 0.081 68.915 68.868 -0.057 0.000 1.082 126 T HN 0.288 nan 8.240 nan 0.000 0.531 127 S N 0.636 116.294 115.700 -0.070 0.000 2.634 127 S HA 0.676 5.146 4.470 -0.000 0.000 0.296 127 S C 0.594 175.143 174.600 -0.085 0.000 1.104 127 S CA -0.967 57.191 58.200 -0.069 0.000 0.920 127 S CB 1.877 65.047 63.200 -0.051 0.000 1.111 127 S HN 0.015 nan 8.310 nan 0.000 0.493 128 L N 1.372 122.537 121.223 -0.095 0.000 2.109 128 L HA 0.246 4.586 4.340 -0.000 0.000 0.207 128 L C 2.458 179.280 176.870 -0.081 0.000 1.086 128 L CA 2.294 57.063 54.840 -0.118 0.000 0.760 128 L CB -1.489 40.466 42.059 -0.175 0.000 0.910 128 L HN 0.949 nan 8.230 nan 0.000 0.437 129 A N -0.447 122.342 122.820 -0.052 0.000 1.933 129 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 129 A C 2.306 179.870 177.584 -0.034 0.000 1.175 129 A CA 1.495 53.517 52.037 -0.025 0.000 0.628 129 A CB -1.476 17.517 19.000 -0.010 0.000 0.814 129 A HN 0.521 nan 8.150 nan 0.000 0.444 130 G N -0.655 108.117 108.800 -0.048 0.000 2.394 130 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.215 130 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.215 130 G C 1.488 176.345 174.900 -0.071 0.000 1.165 130 G CA 1.142 46.210 45.100 -0.054 0.000 0.784 130 G HN 0.306 nan 8.290 nan 0.000 0.535 131 V N 1.789 121.650 119.914 -0.088 0.000 2.261 131 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 131 V C 3.354 179.384 176.094 -0.106 0.000 1.047 131 V CA 2.032 64.264 62.300 -0.113 0.000 1.015 131 V CB -1.104 30.638 31.823 -0.134 0.000 0.642 131 V HN 0.455 nan 8.190 nan 0.000 0.446 132 A N 0.320 123.093 122.820 -0.078 0.000 1.892 132 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 132 A C 2.148 179.713 177.584 -0.031 0.000 1.188 132 A CA 2.380 54.391 52.037 -0.044 0.000 0.631 132 A CB -0.822 18.176 19.000 -0.004 0.000 0.822 132 A HN 0.637 nan 8.150 nan 0.000 0.447 133 N N -0.718 117.965 118.700 -0.028 0.000 2.058 133 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 133 N C 1.904 177.392 175.510 -0.038 0.000 1.037 133 N CA 1.529 54.569 53.050 -0.016 0.000 0.848 133 N CB -0.264 38.214 38.487 -0.014 0.000 1.021 133 N HN 0.493 nan 8.380 nan 0.000 0.422 134 Q N 1.020 120.779 119.800 -0.067 0.000 2.124 134 Q HA -0.041 4.298 4.340 -0.000 0.000 0.202 134 Q C 2.265 178.186 176.000 -0.132 0.000 0.977 134 Q CA 0.495 56.244 55.803 -0.090 0.000 0.850 134 Q CB -0.405 28.273 28.738 -0.100 0.000 0.901 134 Q HN 0.440 nan 8.270 nan 0.000 0.429 135 L N 0.200 121.314 121.223 -0.182 0.000 2.005 135 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 135 L C 2.349 179.000 176.870 -0.365 0.000 1.072 135 L CA 1.016 55.647 54.840 -0.347 0.000 0.744 135 L CB -0.398 41.428 42.059 -0.388 0.000 0.895 135 L HN 0.236 nan 8.230 nan 0.000 0.433 136 L N -0.262 120.880 121.223 -0.134 0.000 2.043 136 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 136 L C 2.289 179.222 176.870 0.104 0.000 1.075 136 L CA 1.511 56.402 54.840 0.084 0.000 0.752 136 L CB -0.701 41.440 42.059 0.136 0.000 0.891 136 L HN 0.329 nan 8.230 nan 0.000 0.432 137 D N -0.536 119.888 120.400 0.040 0.000 2.144 137 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 137 D C 2.272 178.631 176.300 0.100 0.000 0.984 137 D CA 1.010 55.050 54.000 0.067 0.000 0.834 137 D CB -0.099 40.714 40.800 0.021 0.000 0.955 137 D HN 0.078 nan 8.370 nan 0.000 0.465 138 R N -0.110 120.401 120.500 0.018 0.000 2.092 138 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 138 R C 2.041 178.466 176.300 0.207 0.000 1.119 138 R CA 0.760 56.892 56.100 0.054 0.000 0.970 138 R CB -0.823 29.426 30.300 -0.085 0.000 0.864 138 R HN 0.045 nan 8.270 nan 0.000 0.440 139 F N 0.532 120.547 119.950 0.108 0.000 2.095 139 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 139 F C 2.109 177.976 175.800 0.111 0.000 1.104 139 F CA 1.032 59.093 58.000 0.101 0.000 1.232 139 F CB -0.665 38.385 39.000 0.083 0.000 0.987 139 F HN -0.000 nan 8.300 nan 0.000 0.475 140 I N -1.416 119.349 120.570 0.325 0.000 2.179 140 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 140 I C 2.448 178.680 176.117 0.192 0.000 1.088 140 I CA 1.377 62.805 61.300 0.214 0.000 1.357 140 I CB -0.669 37.437 38.000 0.177 0.000 1.051 140 I HN 0.028 nan 8.210 nan 0.000 0.409 141 F N 1.973 121.978 119.950 0.091 0.000 2.202 141 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 141 F C 2.085 177.929 175.800 0.072 0.000 1.082 141 F CA 1.701 59.741 58.000 0.066 0.000 1.313 141 F CB -0.130 38.898 39.000 0.048 0.000 1.024 141 F HN 0.077 nan 8.300 nan 0.000 0.495 142 E N -0.179 120.139 120.200 0.197 0.000 2.444 142 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 142 E C -0.309 176.325 176.600 0.056 0.000 1.041 142 E CA 0.479 56.944 56.400 0.108 0.000 0.883 142 E CB -0.045 29.793 29.700 0.230 0.000 1.024 142 E HN 0.314 nan 8.360 nan 0.000 0.470 143 D N 0.737 121.161 120.400 0.039 0.000 2.911 143 D HA -0.222 4.418 4.640 -0.000 0.000 0.227 143 D C 1.060 177.382 176.300 0.037 0.000 1.164 143 D CA 0.631 54.646 54.000 0.025 0.000 0.782 143 D CB -0.823 39.970 40.800 -0.011 0.000 1.094 143 D HN 0.342 nan 8.370 nan 0.000 0.425 144 Q N -0.503 119.340 119.800 0.071 0.000 2.096 144 Q HA 0.064 4.404 4.340 -0.000 0.000 0.197 144 Q C 1.609 177.561 176.000 -0.080 0.000 0.964 144 Q CA 0.920 56.714 55.803 -0.015 0.000 0.838 144 Q CB 0.583 29.314 28.738 -0.011 0.000 0.906 144 Q HN 0.711 nan 8.270 nan 0.000 0.444 145 I N -2.560 118.007 120.570 -0.005 0.000 2.934 145 I HA 0.471 4.640 4.170 -0.000 0.000 0.306 145 I C -0.668 175.491 176.117 0.070 0.000 1.110 145 I CA -1.254 60.054 61.300 0.013 0.000 1.019 145 I CB 2.157 40.174 38.000 0.029 0.000 1.227 145 I HN -0.234 nan 8.210 nan 0.000 0.434 146 R N 3.517 124.062 120.500 0.075 0.000 2.539 146 R HA 0.297 4.637 4.340 -0.000 0.000 0.275 146 R C -1.802 174.545 176.300 0.078 0.000 1.077 146 R CA -1.255 54.886 56.100 0.068 0.000 1.097 146 R CB 0.578 30.915 30.300 0.061 0.000 1.018 146 R HN 0.468 nan 8.270 nan 0.000 0.483 147 P HA -0.265 nan 4.420 nan 0.000 0.218 147 P C 0.827 178.155 177.300 0.047 0.000 1.146 147 P CA 1.413 64.550 63.100 0.061 0.000 0.820 147 P CB 0.136 31.863 31.700 0.045 0.000 0.778 148 Q N -1.377 118.442 119.800 0.032 0.000 2.311 148 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 148 Q C 0.980 176.966 176.000 -0.023 0.000 0.954 148 Q CA 1.025 56.826 55.803 -0.002 0.000 0.885 148 Q CB -0.656 28.071 28.738 -0.018 0.000 0.963 148 Q HN 0.219 nan 8.270 nan 0.000 0.471 149 D N 1.411 121.840 120.400 0.048 0.000 2.224 149 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 149 D C 1.826 178.211 176.300 0.142 0.000 0.965 149 D CA 0.536 54.608 54.000 0.121 0.000 0.852 149 D CB -0.196 40.792 40.800 0.313 0.000 0.947 149 D HN 0.295 nan 8.370 nan 0.000 0.494 150 R N 1.187 121.760 120.500 0.122 0.000 2.112 150 R HA -0.226 4.113 4.340 -0.000 0.000 0.242 150 R C 2.047 178.407 176.300 0.099 0.000 1.137 150 R CA 1.832 58.010 56.100 0.129 0.000 0.944 150 R CB -0.147 30.217 30.300 0.107 0.000 0.857 150 R HN 0.189 nan 8.270 nan 0.000 0.435 151 E N -0.108 120.119 120.200 0.046 0.000 2.049 151 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 151 E C 1.827 178.447 176.600 0.034 0.000 1.007 151 E CA 1.846 58.262 56.400 0.027 0.000 0.809 151 E CB -0.030 29.665 29.700 -0.009 0.000 0.749 151 E HN 0.278 nan 8.360 nan 0.000 0.450 152 E N 0.227 120.422 120.200 -0.009 0.000 2.150 152 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 152 E C 2.010 178.710 176.600 0.168 0.000 0.985 152 E CA 0.659 57.068 56.400 0.014 0.000 0.814 152 E CB -0.032 29.554 29.700 -0.190 0.000 0.752 152 E HN 0.312 nan 8.360 nan 0.000 0.466 153 L N -0.256 121.105 121.223 0.229 0.000 2.156 153 L HA -0.064 4.275 4.340 -0.000 0.000 0.208 153 L C 2.346 179.344 176.870 0.214 0.000 1.095 153 L CA 0.510 55.511 54.840 0.269 0.000 0.770 153 L CB -0.242 41.991 42.059 0.291 0.000 0.914 153 L HN 0.230 nan 8.230 nan 0.000 0.439 154 L N -0.198 121.122 121.223 0.161 0.000 2.005 154 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 154 L C 2.882 179.832 176.870 0.133 0.000 1.072 154 L CA 1.229 56.147 54.840 0.131 0.000 0.744 154 L CB -0.204 41.911 42.059 0.092 0.000 0.895 154 L HN 0.236 nan 8.230 nan 0.000 0.433 155 R N 0.435 121.004 120.500 0.116 0.000 2.091 155 R HA -0.153 4.186 4.340 -0.000 0.000 0.238 155 R C 2.101 178.492 176.300 0.152 0.000 1.136 155 R CA 1.910 58.075 56.100 0.110 0.000 0.959 155 R CB -0.780 29.566 30.300 0.076 0.000 0.856 155 R HN 0.440 nan 8.270 nan 0.000 0.437 156 A N 0.376 123.304 122.820 0.181 0.000 1.877 156 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 156 A C 2.283 180.133 177.584 0.444 0.000 1.186 156 A CA 1.532 53.707 52.037 0.230 0.000 0.620 156 A CB -0.672 18.448 19.000 0.201 0.000 0.822 156 A HN 0.369 nan 8.150 nan 0.000 0.443 157 L N -0.673 120.795 121.223 0.409 0.000 2.265 157 L HA -0.086 4.253 4.340 -0.000 0.000 0.215 157 L C 1.416 178.482 176.870 0.327 0.000 1.117 157 L CA 0.658 55.725 54.840 0.379 0.000 0.782 157 L CB -0.275 41.899 42.059 0.192 0.000 0.914 157 L HN 0.364 nan 8.230 nan 0.000 0.441 158 L N -0.298 121.087 121.223 0.269 0.000 2.685 158 L HA 0.173 4.513 4.340 -0.000 0.000 0.233 158 L C 0.477 177.486 176.870 0.231 0.000 1.173 158 L CA -0.312 54.660 54.840 0.220 0.000 0.961 158 L CB -0.165 41.974 42.059 0.133 0.000 1.217 158 L HN 0.158 nan 8.230 nan 0.000 0.478 159 L N -0.110 121.282 121.223 0.282 0.000 2.479 159 L HA 0.219 4.558 4.340 -0.000 0.000 0.249 159 L C 0.734 177.730 176.870 0.210 0.000 1.178 159 L CA -0.600 54.359 54.840 0.199 0.000 0.811 159 L CB 0.423 42.565 42.059 0.137 0.000 1.187 159 L HN 0.064 nan 8.230 nan 0.000 0.480 160 K N 0.914 121.393 120.400 0.132 0.000 2.472 160 K HA 0.036 4.356 4.320 -0.000 0.000 0.280 160 K C -0.571 176.084 176.600 0.092 0.000 1.028 160 K CA 0.169 56.534 56.287 0.130 0.000 1.045 160 K CB 0.034 32.579 32.500 0.074 0.000 0.902 160 K HN 0.402 nan 8.250 nan 0.000 0.478 161 H N 1.931 121.057 119.070 0.093 0.000 2.746 161 H HA 0.119 4.675 4.556 -0.000 0.000 0.269 161 H C -0.228 174.967 175.328 -0.221 0.000 1.248 161 H CA -0.310 55.759 56.048 0.036 0.000 1.258 161 H CB 0.750 30.514 29.762 0.004 0.000 1.441 161 H HN 0.506 nan 8.280 nan 0.000 0.508 162 S N 2.932 118.541 115.700 -0.152 0.000 2.669 162 S HA 0.311 4.781 4.470 -0.000 0.000 0.270 162 S C 0.288 174.592 174.600 -0.492 0.000 1.225 162 S CA -0.620 57.419 58.200 -0.269 0.000 0.991 162 S CB 1.237 64.400 63.200 -0.061 0.000 0.987 162 S HN 0.612 nan 8.310 nan 0.000 0.552 163 H N -0.988 118.172 119.070 0.149 0.000 2.960 163 H HA 0.479 5.035 4.556 -0.001 0.000 0.303 163 H C 1.199 176.598 175.328 0.118 0.000 1.412 163 H CA -0.461 55.691 56.048 0.174 0.000 1.227 163 H CB 0.656 30.545 29.762 0.211 0.000 1.912 163 H HN 0.639 nan 8.280 nan 0.000 0.583 164 A N 0.459 123.446 122.820 0.279 0.000 1.896 164 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 164 A C 2.338 179.977 177.584 0.091 0.000 1.206 164 A CA 2.790 54.883 52.037 0.092 0.000 0.647 164 A CB -1.625 17.441 19.000 0.110 0.000 0.828 164 A HN 0.812 nan 8.150 nan 0.000 0.455 165 G N -0.864 108.031 108.800 0.158 0.000 2.469 165 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 165 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 165 G C 1.366 176.319 174.900 0.088 0.000 1.136 165 G CA 1.345 46.516 45.100 0.119 0.000 0.759 165 G HN 0.650 nan 8.290 nan 0.000 0.562 166 E N -0.231 120.028 120.200 0.098 0.000 2.230 166 E HA 0.169 4.518 4.350 -0.000 0.000 0.192 166 E C 2.332 178.950 176.600 0.031 0.000 0.987 166 E CA -0.199 56.239 56.400 0.064 0.000 0.841 166 E CB -0.172 29.569 29.700 0.067 0.000 0.783 166 E HN 0.340 nan 8.360 nan 0.000 0.481 167 L N 1.290 122.525 121.223 0.020 0.000 1.978 167 L HA -0.349 3.990 4.340 -0.000 0.000 0.218 167 L C 1.990 178.851 176.870 -0.015 0.000 1.075 167 L CA 1.936 56.769 54.840 -0.013 0.000 0.767 167 L CB -0.227 41.804 42.059 -0.046 0.000 0.890 167 L HN 0.227 nan 8.230 nan 0.000 0.434 168 E N -0.349 119.845 120.200 -0.011 0.000 2.118 168 E HA -0.255 4.094 4.350 -0.000 0.000 0.195 168 E C 2.048 178.648 176.600 0.000 0.000 0.992 168 E CA 1.231 57.625 56.400 -0.009 0.000 0.804 168 E CB -0.262 29.437 29.700 -0.002 0.000 0.741 168 E HN 0.651 nan 8.360 nan 0.000 0.458 169 A N 1.027 123.854 122.820 0.011 0.000 2.015 169 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 169 A C 2.081 179.668 177.584 0.006 0.000 1.163 169 A CA 0.776 52.821 52.037 0.013 0.000 0.646 169 A CB -0.358 18.656 19.000 0.024 0.000 0.806 169 A HN 0.135 nan 8.150 nan 0.000 0.448 170 L N -1.075 120.148 121.223 0.001 0.000 2.554 170 L HA 0.143 4.483 4.340 -0.000 0.000 0.226 170 L C 1.690 178.552 176.870 -0.012 0.000 1.137 170 L CA 0.509 55.345 54.840 -0.006 0.000 0.863 170 L CB -0.321 41.731 42.059 -0.012 0.000 0.985 170 L HN 0.557 nan 8.230 nan 0.000 0.451 171 G N 0.157 108.950 108.800 -0.012 0.000 2.153 171 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.252 171 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.252 171 G C 0.617 175.504 174.900 -0.022 0.000 0.994 171 G CA 0.237 45.328 45.100 -0.015 0.000 0.698 171 G HN 0.885 nan 8.290 nan 0.000 0.521 172 G N -2.987 105.798 108.800 -0.026 0.000 2.612 172 G HA2 0.469 4.429 3.960 -0.000 0.000 0.686 172 G HA3 0.469 4.429 3.960 -0.000 0.000 0.686 172 G C -0.019 174.858 174.900 -0.037 0.000 1.274 172 G CA 0.291 45.371 45.100 -0.034 0.000 0.849 172 G HN 2.129 nan 8.290 nan 0.000 0.595 173 V N -2.854 117.034 119.914 -0.044 0.000 3.126 173 V HA 1.038 5.157 4.120 -0.000 0.000 0.314 173 V C -0.235 175.828 176.094 -0.052 0.000 1.138 173 V CA -0.964 61.306 62.300 -0.050 0.000 1.034 173 V CB 2.113 33.903 31.823 -0.055 0.000 1.075 173 V HN 1.261 nan 8.190 nan 0.000 0.442 174 K N 1.489 121.854 120.400 -0.060 0.000 2.469 174 K HA 0.757 5.076 4.320 -0.000 0.000 0.254 174 K C -3.146 173.409 176.600 -0.074 0.000 0.939 174 K CA -2.338 53.913 56.287 -0.059 0.000 0.812 174 K CB 2.435 34.904 32.500 -0.052 0.000 1.301 174 K HN 0.572 nan 8.250 nan 0.000 0.433 175 P HA 0.244 nan 4.420 nan 0.000 0.268 175 P C -1.556 175.686 177.300 -0.097 0.000 1.205 175 P CA -0.116 62.933 63.100 -0.085 0.000 0.771 175 P CB 0.993 32.651 31.700 -0.071 0.000 0.858 176 A N 2.074 124.817 122.820 -0.129 0.000 2.594 176 A HA 0.657 4.977 4.320 -0.000 0.000 0.295 176 A C -0.740 176.743 177.584 -0.169 0.000 1.071 176 A CA -0.577 51.377 52.037 -0.137 0.000 0.685 176 A CB 1.278 20.189 19.000 -0.149 0.000 1.285 176 A HN 0.385 nan 8.150 nan 0.000 0.405 177 V N -0.202 119.625 119.914 -0.145 0.000 2.919 177 V HA 0.794 4.914 4.120 -0.000 0.000 0.316 177 V C -0.292 175.724 176.094 -0.130 0.000 1.077 177 V CA -1.007 61.194 62.300 -0.165 0.000 0.977 177 V CB 1.648 33.387 31.823 -0.139 0.000 1.039 177 V HN 0.948 nan 8.190 nan 0.000 0.441 178 L N 2.692 123.834 121.223 -0.134 0.000 2.290 178 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 178 L C 0.349 177.277 176.870 0.098 0.000 1.078 178 L CA 0.051 54.877 54.840 -0.023 0.000 0.815 178 L CB 1.499 43.553 42.059 -0.008 0.000 1.162 178 L HN 0.980 nan 8.230 nan 0.000 0.435 179 T N 3.813 118.441 114.554 0.123 0.000 2.913 179 T HA 0.194 4.544 4.350 -0.000 0.000 0.287 179 T C 1.159 175.986 174.700 0.212 0.000 1.008 179 T CA -0.596 61.590 62.100 0.143 0.000 1.067 179 T CB 1.297 70.196 68.868 0.052 0.000 0.996 179 T HN 0.544 nan 8.240 nan 0.000 0.513 180 R N 1.140 121.738 120.500 0.163 0.000 2.211 180 R HA -0.093 4.246 4.340 -0.000 0.000 0.240 180 R C 2.475 178.653 176.300 -0.203 0.000 1.144 180 R CA 1.444 57.456 56.100 -0.147 0.000 0.992 180 R CB -0.437 29.807 30.300 -0.094 0.000 0.869 180 R HN 0.665 nan 8.270 nan 0.000 0.462 181 S N -1.815 113.842 115.700 -0.072 0.000 2.501 181 S HA 0.213 4.683 4.470 -0.000 0.000 0.220 181 S C 1.550 176.124 174.600 -0.044 0.000 0.997 181 S CA 0.240 58.402 58.200 -0.063 0.000 0.919 181 S CB 0.648 63.828 63.200 -0.034 0.000 0.778 181 S HN 0.500 nan 8.310 nan 0.000 0.523 182 G N 0.953 109.745 108.800 -0.014 0.000 2.184 182 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.206 182 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.206 182 G C -0.438 174.466 174.900 0.007 0.000 0.995 182 G CA -0.038 45.068 45.100 0.010 0.000 0.651 182 G HN 0.525 nan 8.290 nan 0.000 0.511 183 D N 2.084 122.485 120.400 0.002 0.000 2.283 183 D HA 0.441 5.081 4.640 -0.000 0.000 0.248 183 D C -2.312 173.977 176.300 -0.018 0.000 1.072 183 D CA -0.840 53.153 54.000 -0.011 0.000 0.929 183 D CB 1.984 42.777 40.800 -0.012 0.000 1.182 183 D HN 0.198 nan 8.370 nan 0.000 0.433 184 P HA 0.139 nan 4.420 nan 0.000 0.286 184 P C -1.027 176.244 177.300 -0.048 0.000 1.261 184 P CA -0.470 62.595 63.100 -0.058 0.000 0.821 184 P CB 1.218 32.871 31.700 -0.078 0.000 1.013 185 S N 0.820 116.487 115.700 -0.055 0.000 2.536 185 S HA 0.270 4.740 4.470 -0.000 0.000 0.271 185 S C -0.473 174.094 174.600 -0.055 0.000 1.134 185 S CA -0.921 57.252 58.200 -0.045 0.000 0.897 185 S CB 1.459 64.640 63.200 -0.031 0.000 1.094 185 S HN 0.540 nan 8.310 nan 0.000 0.473 186 Q N 2.306 122.079 119.800 -0.046 0.000 2.361 186 Q HA 0.186 4.525 4.340 -0.000 0.000 0.276 186 Q C -2.109 173.864 176.000 -0.045 0.000 1.022 186 Q CA -1.199 54.577 55.803 -0.046 0.000 0.898 186 Q CB 0.305 29.023 28.738 -0.034 0.000 1.246 186 Q HN 0.471 nan 8.270 nan 0.000 0.410 187 P HA -0.050 nan 4.420 nan 0.000 0.268 187 P C 0.383 177.666 177.300 -0.028 0.000 1.205 187 P CA 0.257 63.330 63.100 -0.046 0.000 0.771 187 P CB 0.690 32.363 31.700 -0.044 0.000 0.858 188 L N 1.374 122.581 121.223 -0.028 0.000 2.083 188 L HA -0.079 4.260 4.340 -0.000 0.000 0.209 188 L C 1.428 178.289 176.870 -0.015 0.000 1.083 188 L CA 1.030 55.857 54.840 -0.021 0.000 0.752 188 L CB -0.524 41.521 42.059 -0.023 0.000 0.899 188 L HN 0.330 nan 8.230 nan 0.000 0.433 189 L N 0.937 122.154 121.223 -0.010 0.000 2.418 189 L HA 0.207 4.547 4.340 -0.000 0.000 0.265 189 L C -1.775 175.108 176.870 0.021 0.000 1.143 189 L CA -1.965 52.874 54.840 -0.001 0.000 0.809 189 L CB 0.124 42.184 42.059 0.002 0.000 1.124 189 L HN -0.095 nan 8.230 nan 0.000 0.456 190 P HA -0.029 nan 4.420 nan 0.000 0.260 190 P C -0.834 176.565 177.300 0.164 0.000 1.207 190 P CA -0.015 63.115 63.100 0.050 0.000 0.780 190 P CB 0.634 32.335 31.700 0.001 0.000 0.789 191 Q N 2.873 122.758 119.800 0.142 0.000 2.260 191 Q HA 0.290 4.630 4.340 -0.000 0.000 0.238 191 Q C 0.540 176.693 176.000 0.254 0.000 0.948 191 Q CA 0.173 56.071 55.803 0.159 0.000 0.895 191 Q CB 1.122 29.873 28.738 0.021 0.000 1.218 191 Q HN 0.721 nan 8.270 nan 0.000 0.470 192 H N -2.895 116.175 119.070 0.001 0.000 3.024 192 H HA 0.357 4.913 4.556 -0.000 0.000 0.324 192 H C -1.137 174.197 175.328 0.009 0.000 1.347 192 H CA -0.724 55.325 56.048 0.002 0.000 1.182 192 H CB 0.161 29.926 29.762 0.004 0.000 1.889 192 H HN 0.351 nan 8.280 nan 0.000 0.528 193 S N 1.227 116.946 115.700 0.032 0.000 2.564 193 S HA 0.248 4.718 4.470 -0.000 0.000 0.278 193 S C 0.650 175.258 174.600 0.013 0.000 1.333 193 S CA -0.125 58.068 58.200 -0.013 0.000 1.048 193 S CB 0.550 63.756 63.200 0.010 0.000 0.900 193 S HN 0.728 nan 8.310 nan 0.000 0.505 194 S N 2.514 118.209 115.700 -0.009 0.000 2.600 194 S HA 0.197 4.666 4.470 -0.000 0.000 0.265 194 S C 1.127 175.767 174.600 0.066 0.000 1.325 194 S CA -0.730 57.495 58.200 0.042 0.000 1.002 194 S CB 0.298 63.527 63.200 0.048 0.000 0.921 194 S HN 0.588 nan 8.310 nan 0.000 0.554 195 L N 1.141 122.418 121.223 0.090 0.000 1.994 195 L HA -0.043 4.296 4.340 -0.000 0.000 0.208 195 L C 2.329 179.219 176.870 0.035 0.000 1.071 195 L CA 2.066 56.942 54.840 0.060 0.000 0.745 195 L CB -1.136 40.976 42.059 0.088 0.000 0.892 195 L HN 0.831 nan 8.230 nan 0.000 0.431 196 E N -0.579 119.695 120.200 0.123 0.000 2.070 196 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 196 E C 2.092 178.805 176.600 0.189 0.000 1.004 196 E CA 2.071 58.612 56.400 0.236 0.000 0.805 196 E CB -0.862 29.021 29.700 0.305 0.000 0.744 196 E HN 0.501 nan 8.360 nan 0.000 0.451 197 T N 0.909 115.529 114.554 0.111 0.000 2.746 197 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 197 T C 1.747 176.451 174.700 0.006 0.000 1.039 197 T CA 1.476 63.616 62.100 0.067 0.000 1.142 197 T CB -0.221 68.666 68.868 0.031 0.000 0.866 197 T HN 0.233 nan 8.240 nan 0.000 0.444 198 Q N 0.234 120.016 119.800 -0.030 0.000 2.119 198 Q HA 0.077 4.416 4.340 -0.000 0.000 0.201 198 Q C 2.295 178.190 176.000 -0.174 0.000 0.972 198 Q CA 0.978 56.736 55.803 -0.074 0.000 0.847 198 Q CB -0.258 28.445 28.738 -0.058 0.000 0.903 198 Q HN 0.466 nan 8.270 nan 0.000 0.433 199 L N -1.313 119.714 121.223 -0.326 0.000 2.131 199 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 199 L C 1.166 177.505 176.870 -0.885 0.000 1.087 199 L CA 0.920 55.314 54.840 -0.745 0.000 0.767 199 L CB 0.094 41.394 42.059 -1.266 0.000 0.917 199 L HN 0.199 nan 8.230 nan 0.000 0.441 200 F N -3.628 116.297 119.950 -0.043 0.000 2.767 200 F HA 0.151 4.677 4.527 -0.000 0.000 0.323 200 F C 1.815 177.623 175.800 0.012 0.000 1.091 200 F CA -0.338 57.654 58.000 -0.014 0.000 1.192 200 F CB -0.421 38.575 39.000 -0.006 0.000 1.056 200 F HN -0.070 nan 8.300 nan 0.000 0.571 201 C N 0.042 119.423 119.300 0.135 0.000 2.590 201 C HA 0.068 4.527 4.460 -0.000 0.000 0.272 201 C C 2.336 177.346 174.990 0.033 0.000 1.338 201 C CA 0.095 59.163 59.018 0.082 0.000 1.746 201 C CB -0.318 27.449 27.740 0.045 0.000 2.020 201 C HN 0.293 nan 8.230 nan 0.000 0.531 202 E N 1.524 121.732 120.200 0.012 0.000 2.463 202 E HA -0.164 4.185 4.350 -0.000 0.000 0.201 202 E C 1.854 178.458 176.600 0.007 0.000 1.045 202 E CA 0.879 57.279 56.400 -0.002 0.000 0.872 202 E CB -0.305 29.386 29.700 -0.016 0.000 0.797 202 E HN 0.740 nan 8.360 nan 0.000 0.538 203 Q N -0.344 119.472 119.800 0.026 0.000 2.311 203 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 203 Q C 1.307 177.319 176.000 0.020 0.000 0.954 203 Q CA 0.804 56.625 55.803 0.030 0.000 0.885 203 Q CB -0.037 28.736 28.738 0.058 0.000 0.963 203 Q HN 0.086 nan 8.270 nan 0.000 0.471 204 G N 1.810 110.620 108.800 0.016 0.000 2.726 204 G HA2 0.028 3.988 3.960 -0.000 0.000 0.283 204 G HA3 0.028 3.988 3.960 -0.000 0.000 0.283 204 G C -0.663 174.228 174.900 -0.016 0.000 0.689 204 G CA 0.019 45.116 45.100 -0.005 0.000 2.087 204 G HN 0.134 nan 8.290 nan 0.000 0.546 205 D N 0.963 121.355 120.400 -0.014 0.000 3.404 205 D HA 0.257 4.897 4.640 -0.000 0.000 0.329 205 D C 1.045 177.340 176.300 -0.010 0.000 1.421 205 D CA 0.284 54.277 54.000 -0.012 0.000 0.742 205 D CB -0.626 40.170 40.800 -0.006 0.000 1.290 205 D HN 0.569 nan 8.370 nan 0.000 0.600 206 G N 0.808 109.596 108.800 -0.020 0.000 2.372 206 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.297 206 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.297 206 G C 0.751 175.653 174.900 0.003 0.000 1.005 206 G CA 0.246 45.339 45.100 -0.011 0.000 1.173 206 G HN 0.622 nan 8.290 nan 0.000 0.511 207 G N -0.942 107.861 108.800 0.005 0.000 2.553 207 G HA2 0.456 4.416 3.960 -0.000 0.000 0.278 207 G HA3 0.456 4.416 3.960 -0.000 0.000 0.278 207 G C 1.106 176.018 174.900 0.021 0.000 1.349 207 G CA 0.581 45.690 45.100 0.014 0.000 1.037 207 G HN 0.873 nan 8.290 nan 0.000 0.508 208 T N -0.103 114.465 114.554 0.024 0.000 3.584 208 T HA 0.147 4.497 4.350 -0.000 0.000 0.252 208 T C -0.001 174.719 174.700 0.033 0.000 1.103 208 T CA 0.562 62.678 62.100 0.026 0.000 0.977 208 T CB -0.572 68.310 68.868 0.024 0.000 1.044 208 T HN 0.347 nan 8.240 nan 0.000 0.589 209 E N 0.768 120.989 120.200 0.036 0.000 3.554 209 E HA 0.203 4.553 4.350 -0.000 0.000 0.286 209 E C 0.219 176.851 176.600 0.053 0.000 1.173 209 E CA -0.393 56.035 56.400 0.046 0.000 1.117 209 E CB 0.505 30.234 29.700 0.047 0.000 1.323 209 E HN 0.430 nan 8.360 nan 0.000 0.394 210 G N 1.138 109.975 108.800 0.060 0.000 2.178 210 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.244 210 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.244 210 G C 0.631 175.622 174.900 0.152 0.000 1.213 210 G CA 0.487 45.636 45.100 0.083 0.000 0.912 210 G HN 0.583 nan 8.290 nan 0.000 0.474 211 H N 0.840 119.943 119.070 0.054 0.000 2.731 211 H HA -0.213 4.343 4.556 -0.000 0.000 0.305 211 H C 2.080 177.439 175.328 0.051 0.000 1.132 211 H CA 0.886 56.970 56.048 0.061 0.000 1.148 211 H CB -1.114 28.679 29.762 0.051 0.000 1.379 211 H HN 0.541 nan 8.280 nan 0.000 0.398 212 S N -0.078 115.695 115.700 0.122 0.000 2.370 212 S HA -0.085 4.384 4.470 -0.000 0.000 0.226 212 S C -0.199 174.450 174.600 0.082 0.000 1.033 212 S CA 1.427 59.681 58.200 0.089 0.000 1.011 212 S CB -0.215 63.027 63.200 0.070 0.000 0.852 212 S HN 0.546 nan 8.310 nan 0.000 0.457 213 P HA 0.021 nan 4.420 nan 0.000 0.222 213 P C 1.053 178.376 177.300 0.038 0.000 1.147 213 P CA 0.912 64.060 63.100 0.081 0.000 0.790 213 P CB -0.194 31.601 31.700 0.158 0.000 0.780 214 S N 0.346 116.103 115.700 0.095 0.000 2.423 214 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 214 S C 2.280 176.883 174.600 0.005 0.000 1.014 214 S CA 1.097 59.331 58.200 0.056 0.000 0.965 214 S CB -1.316 61.968 63.200 0.140 0.000 0.785 214 S HN 0.300 nan 8.310 nan 0.000 0.495 215 G N 1.313 110.126 108.800 0.023 0.000 2.564 215 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 215 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 215 G C 1.153 176.047 174.900 -0.010 0.000 1.124 215 G CA 0.232 45.337 45.100 0.008 0.000 0.764 215 G HN 0.529 nan 8.290 nan 0.000 0.550 216 I N -0.131 120.421 120.570 -0.030 0.000 2.500 216 I HA 0.043 4.212 4.170 -0.000 0.000 0.252 216 I C 2.347 178.449 176.117 -0.025 0.000 1.142 216 I CA 0.375 61.652 61.300 -0.038 0.000 1.451 216 I CB 0.131 38.083 38.000 -0.079 0.000 1.093 216 I HN 0.120 nan 8.210 nan 0.000 0.430 217 L N 0.290 121.487 121.223 -0.043 0.000 2.191 217 L HA -0.193 4.146 4.340 -0.000 0.000 0.212 217 L C 2.157 179.007 176.870 -0.033 0.000 1.103 217 L CA 0.885 55.697 54.840 -0.046 0.000 0.769 217 L CB -0.628 41.386 42.059 -0.076 0.000 0.908 217 L HN 0.199 nan 8.230 nan 0.000 0.438 218 E N 0.349 120.535 120.200 -0.023 0.000 2.338 218 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 218 E C 1.673 178.270 176.600 -0.005 0.000 1.007 218 E CA 0.793 57.184 56.400 -0.016 0.000 0.849 218 E CB 0.185 29.880 29.700 -0.009 0.000 0.774 218 E HN 0.179 nan 8.360 nan 0.000 0.506 219 K N -0.194 120.208 120.400 0.003 0.000 2.374 219 K HA 0.170 4.490 4.320 -0.000 0.000 0.196 219 K C 0.113 176.732 176.600 0.031 0.000 1.023 219 K CA -0.042 56.256 56.287 0.018 0.000 1.103 219 K CB 0.422 32.936 32.500 0.023 0.000 0.848 219 K HN 0.202 nan 8.250 nan 0.000 0.528 220 I N 4.167 124.751 120.570 0.024 0.000 2.505 220 I HA 0.033 4.203 4.170 -0.000 0.000 0.287 220 I C -2.087 174.041 176.117 0.020 0.000 1.104 220 I CA -1.763 59.557 61.300 0.035 0.000 1.387 220 I CB 0.024 38.020 38.000 -0.008 0.000 1.404 220 I HN -0.229 nan 8.210 nan 0.000 0.528 221 P HA 0.078 nan 4.420 nan 0.000 0.268 221 P C -1.718 175.589 177.300 0.012 0.000 1.205 221 P CA -1.055 62.060 63.100 0.024 0.000 0.771 221 P CB -0.003 31.719 31.700 0.037 0.000 0.858 222 P HA -0.211 nan 4.420 nan 0.000 0.218 222 P C 0.244 177.541 177.300 -0.005 0.000 1.147 222 P CA 1.745 64.841 63.100 -0.006 0.000 0.827 222 P CB 0.200 31.896 31.700 -0.006 0.000 0.778 223 D N -0.958 119.443 120.400 0.001 0.000 2.819 223 D HA 0.094 4.733 4.640 -0.000 0.000 0.326 223 D C -0.205 176.104 176.300 0.015 0.000 1.408 223 D CA -0.251 53.749 54.000 0.000 0.000 0.811 223 D CB 0.215 41.010 40.800 -0.008 0.000 1.148 223 D HN 0.036 nan 8.370 nan 0.000 0.457 224 S N -1.175 114.544 115.700 0.031 0.000 2.632 224 S HA 0.573 5.042 4.470 -0.000 0.000 0.271 224 S C 0.395 175.045 174.600 0.084 0.000 1.260 224 S CA -0.754 57.487 58.200 0.069 0.000 1.010 224 S CB 2.329 65.581 63.200 0.086 0.000 0.965 224 S HN 0.115 nan 8.310 nan 0.000 0.534 225 E N -0.229 120.056 120.200 0.142 0.000 2.390 225 E HA 0.791 5.141 4.350 -0.000 0.000 0.249 225 E C -0.443 176.278 176.600 0.201 0.000 0.981 225 E CA -1.159 55.328 56.400 0.145 0.000 0.860 225 E CB 1.763 31.559 29.700 0.161 0.000 1.278 225 E HN 0.882 nan 8.360 nan 0.000 0.416 226 A N 0.036 122.970 122.820 0.191 0.000 2.485 226 A HA 0.759 5.078 4.320 -0.000 0.000 0.292 226 A C -1.024 176.698 177.584 0.230 0.000 1.147 226 A CA -0.526 51.668 52.037 0.261 0.000 0.750 226 A CB 1.992 21.190 19.000 0.329 0.000 1.331 226 A HN 0.408 nan 8.150 nan 0.000 0.419 227 T N 1.041 115.718 114.554 0.206 0.000 2.893 227 T HA 0.571 4.920 4.350 -0.000 0.000 0.293 227 T C -1.212 173.551 174.700 0.105 0.000 1.027 227 T CA -0.322 61.880 62.100 0.169 0.000 0.988 227 T CB 1.166 70.135 68.868 0.169 0.000 1.043 227 T HN 0.511 nan 8.240 nan 0.000 0.461 228 L N 3.480 124.753 121.223 0.082 0.000 2.325 228 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 228 L C -1.208 175.706 176.870 0.075 0.000 1.004 228 L CA -0.813 54.063 54.840 0.060 0.000 0.823 228 L CB 1.399 43.462 42.059 0.007 0.000 1.236 228 L HN 0.423 nan 8.230 nan 0.000 0.415 229 V N 6.287 126.249 119.914 0.080 0.000 2.357 229 V HA 0.411 4.531 4.120 -0.000 0.000 0.284 229 V C 0.068 176.220 176.094 0.097 0.000 1.018 229 V CA -0.464 61.894 62.300 0.097 0.000 0.841 229 V CB 1.680 33.492 31.823 -0.017 0.000 0.991 229 V HN 0.575 nan 8.190 nan 0.000 0.437 230 L N 5.570 126.839 121.223 0.078 0.000 2.307 230 L HA 0.729 5.069 4.340 -0.000 0.000 0.284 230 L C -0.660 176.367 176.870 0.261 0.000 1.023 230 L CA -0.693 54.183 54.840 0.059 0.000 0.810 230 L CB 1.995 43.872 42.059 -0.302 0.000 1.231 230 L HN 0.359 nan 8.230 nan 0.000 0.423 231 V N 1.649 121.853 119.914 0.483 0.000 2.656 231 V HA 0.920 5.039 4.120 -0.000 0.000 0.307 231 V C 0.099 176.414 176.094 0.369 0.000 1.051 231 V CA -0.483 62.057 62.300 0.401 0.000 0.893 231 V CB 1.858 33.865 31.823 0.307 0.000 0.999 231 V HN 0.916 nan 8.190 nan 0.000 0.426 232 G N 3.404 112.289 108.800 0.142 0.000 2.667 232 G HA2 0.616 4.576 3.960 -0.000 0.000 0.294 232 G HA3 0.616 4.576 3.960 -0.000 0.000 0.294 232 G C -1.610 173.070 174.900 -0.367 0.000 1.467 232 G CA -0.991 44.027 45.100 -0.137 0.000 0.852 232 G HN 0.570 nan 8.290 nan 0.000 0.521 233 R N -0.172 120.049 120.500 -0.465 0.000 2.460 233 R HA 0.760 5.100 4.340 -0.000 0.000 0.303 233 R C -0.425 175.637 176.300 -0.397 0.000 0.968 233 R CA -0.613 55.156 56.100 -0.552 0.000 0.889 233 R CB 2.213 32.203 30.300 -0.515 0.000 1.123 233 R HN 0.712 nan 8.270 nan 0.000 0.455 234 A N 2.119 124.667 122.820 -0.452 0.000 2.411 234 A HA 0.159 4.479 4.320 -0.000 0.000 0.285 234 A C 0.294 177.533 177.584 -0.575 0.000 1.129 234 A CA -0.842 50.823 52.037 -0.619 0.000 0.736 234 A CB 0.831 19.199 19.000 -1.054 0.000 1.186 234 A HN 0.895 nan 8.150 nan 0.000 0.445 235 D N 1.988 122.206 120.400 -0.303 0.000 2.265 235 D HA -0.251 4.388 4.640 -0.000 0.000 0.208 235 D C 0.944 177.212 176.300 -0.054 0.000 0.977 235 D CA 1.992 55.917 54.000 -0.126 0.000 0.871 235 D CB -0.515 40.279 40.800 -0.010 0.000 0.925 235 D HN 0.640 nan 8.370 nan 0.000 0.485 236 F N 0.006 119.935 119.950 -0.035 0.000 2.512 236 F HA 0.274 4.801 4.527 -0.000 0.000 0.296 236 F C 1.031 176.818 175.800 -0.022 0.000 1.110 236 F CA -0.671 57.315 58.000 -0.024 0.000 1.446 236 F CB -0.701 38.289 39.000 -0.018 0.000 1.092 236 F HN -0.238 nan 8.300 nan 0.000 0.554 237 L N 1.931 123.001 121.223 -0.254 0.000 2.456 237 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 237 L C 1.269 178.102 176.870 -0.062 0.000 1.189 237 L CA 0.138 54.896 54.840 -0.137 0.000 0.846 237 L CB 0.682 42.585 42.059 -0.260 0.000 1.111 237 L HN 0.206 nan 8.230 nan 0.000 0.475 238 E N 1.616 121.804 120.200 -0.020 0.000 2.385 238 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 238 E C -0.237 176.355 176.600 -0.015 0.000 1.013 238 E CA 0.247 56.643 56.400 -0.008 0.000 0.866 238 E CB 0.385 30.090 29.700 0.008 0.000 0.832 238 E HN 0.631 nan 8.360 nan 0.000 0.500 239 Q N -0.317 119.464 119.800 -0.031 0.000 2.527 239 Q HA 0.412 4.751 4.340 -0.000 0.000 0.280 239 Q C -3.123 172.860 176.000 -0.028 0.000 0.977 239 Q CA -2.250 53.543 55.803 -0.017 0.000 0.837 239 Q CB 1.380 30.110 28.738 -0.013 0.000 1.454 239 Q HN -0.271 nan 8.270 nan 0.000 0.387 240 P HA 0.171 nan 4.420 nan 0.000 0.271 240 P C -0.928 176.360 177.300 -0.020 0.000 1.218 240 P CA -0.254 62.873 63.100 0.045 0.000 0.780 240 P CB 0.880 32.620 31.700 0.068 0.000 0.901 241 V N 0.880 120.766 119.914 -0.048 0.000 3.007 241 V HA 0.710 4.830 4.120 -0.000 0.000 0.311 241 V C -1.156 174.938 176.094 0.001 0.000 1.120 241 V CA -1.119 61.110 62.300 -0.119 0.000 0.980 241 V CB 2.004 33.546 31.823 -0.467 0.000 1.033 241 V HN 0.413 nan 8.190 nan 0.000 0.429 242 L N 2.471 123.747 121.223 0.089 0.000 2.365 242 L HA 1.013 5.352 4.340 -0.000 0.000 0.273 242 L C 0.073 177.134 176.870 0.318 0.000 1.000 242 L CA -0.099 54.834 54.840 0.155 0.000 0.819 242 L CB 1.842 43.900 42.059 -0.002 0.000 1.284 242 L HN 1.147 nan 8.230 nan 0.000 0.418 243 G N 3.380 112.365 108.800 0.309 0.000 2.609 243 G HA2 0.524 4.484 3.960 -0.000 0.000 0.308 243 G HA3 0.524 4.484 3.960 -0.000 0.000 0.308 243 G C -2.068 172.827 174.900 -0.008 0.000 1.369 243 G CA -0.341 44.851 45.100 0.153 0.000 0.958 243 G HN 0.463 nan 8.290 nan 0.000 0.499 244 F N 3.408 123.209 119.950 -0.250 0.000 2.507 244 F HA 0.716 5.243 4.527 -0.000 0.000 0.325 244 F C -0.811 174.840 175.800 -0.249 0.000 1.116 244 F CA -0.772 56.985 58.000 -0.405 0.000 0.930 244 F CB 2.257 40.974 39.000 -0.471 0.000 1.146 244 F HN 0.348 nan 8.300 nan 0.000 0.447 245 V N 6.615 126.053 119.914 -0.794 0.000 2.577 245 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 245 V C -0.790 174.948 176.094 -0.592 0.000 1.042 245 V CA -0.878 61.117 62.300 -0.510 0.000 0.872 245 V CB 1.900 33.511 31.823 -0.353 0.000 0.998 245 V HN 0.750 nan 8.190 nan 0.000 0.423 246 R N 4.616 124.894 120.500 -0.369 0.000 2.360 246 R HA 0.614 4.954 4.340 -0.000 0.000 0.318 246 R C -1.013 175.091 176.300 -0.327 0.000 0.950 246 R CA -0.654 55.208 56.100 -0.398 0.000 0.837 246 R CB 1.033 31.203 30.300 -0.216 0.000 1.165 246 R HN 0.714 nan 8.270 nan 0.000 0.458 247 L N 3.982 124.983 121.223 -0.370 0.000 2.456 247 L HA 0.011 4.350 4.340 -0.000 0.000 0.272 247 L C 1.548 178.293 176.870 -0.209 0.000 1.189 247 L CA -0.127 54.561 54.840 -0.253 0.000 0.846 247 L CB 1.077 42.996 42.059 -0.233 0.000 1.111 247 L HN 0.729 nan 8.230 nan 0.000 0.475 248 Q N 1.879 121.592 119.800 -0.145 0.000 2.061 248 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 248 Q C -0.170 175.770 176.000 -0.099 0.000 0.984 248 Q CA 1.732 57.471 55.803 -0.106 0.000 0.846 248 Q CB 0.316 29.005 28.738 -0.081 0.000 0.902 248 Q HN 0.474 nan 8.270 nan 0.000 0.421 249 E N -0.480 119.659 120.200 -0.102 0.000 2.234 249 E HA 0.513 4.863 4.350 -0.000 0.000 0.266 249 E C -1.355 175.185 176.600 -0.101 0.000 0.877 249 E CA -0.339 56.009 56.400 -0.085 0.000 0.758 249 E CB 1.589 31.250 29.700 -0.064 0.000 1.170 249 E HN 0.307 nan 8.360 nan 0.000 0.415 250 A N 2.195 124.959 122.820 -0.093 0.000 2.545 250 A HA 0.420 4.740 4.320 -0.000 0.000 0.253 250 A C 0.087 177.627 177.584 -0.074 0.000 1.074 250 A CA 0.418 52.398 52.037 -0.094 0.000 0.760 250 A CB -0.066 18.897 19.000 -0.061 0.000 1.005 250 A HN 0.535 nan 8.150 nan 0.000 0.506 251 A N 2.713 125.485 122.820 -0.081 0.000 2.342 251 A HA 0.622 4.941 4.320 -0.000 0.000 0.323 251 A C -0.033 177.518 177.584 -0.055 0.000 1.125 251 A CA -0.558 51.439 52.037 -0.066 0.000 0.785 251 A CB 0.615 19.570 19.000 -0.075 0.000 1.221 251 A HN 0.937 nan 8.150 nan 0.000 0.463 252 E N 1.947 122.120 120.200 -0.045 0.000 2.354 252 E HA 0.531 4.880 4.350 -0.000 0.000 0.269 252 E C -1.283 175.293 176.600 -0.040 0.000 1.036 252 E CA -0.201 56.177 56.400 -0.037 0.000 0.876 252 E CB 0.495 30.175 29.700 -0.033 0.000 1.009 252 E HN 0.566 nan 8.360 nan 0.000 0.416 253 L N 3.698 124.901 121.223 -0.034 0.000 2.401 253 L HA 0.277 4.616 4.340 -0.000 0.000 0.266 253 L C 0.835 177.695 176.870 -0.017 0.000 0.991 253 L CA -0.715 54.100 54.840 -0.042 0.000 0.818 253 L CB 1.816 43.831 42.059 -0.074 0.000 1.321 253 L HN 0.713 nan 8.230 nan 0.000 0.413 254 E N 1.529 121.724 120.200 -0.009 0.000 2.338 254 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 254 E C 1.729 178.394 176.600 0.109 0.000 1.007 254 E CA 1.235 57.659 56.400 0.041 0.000 0.849 254 E CB 0.342 30.066 29.700 0.041 0.000 0.774 254 E HN 0.824 nan 8.360 nan 0.000 0.506 255 A N 0.345 123.176 122.820 0.019 0.000 2.014 255 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 255 A C 1.085 178.833 177.584 0.273 0.000 1.163 255 A CA 0.368 52.417 52.037 0.020 0.000 0.652 255 A CB 0.104 18.836 19.000 -0.447 0.000 0.808 255 A HN 0.078 nan 8.150 nan 0.000 0.449 256 V N 0.591 120.614 119.914 0.182 0.000 2.649 256 V HA 0.045 4.165 4.120 -0.000 0.000 0.292 256 V C 1.499 177.631 176.094 0.065 0.000 1.055 256 V CA -0.078 62.348 62.300 0.210 0.000 1.023 256 V CB 1.405 33.309 31.823 0.135 0.000 0.992 256 V HN 0.674 nan 8.190 nan 0.000 0.480 257 E N 3.004 123.207 120.200 0.005 0.000 2.085 257 E HA -0.133 4.216 4.350 -0.000 0.000 0.194 257 E C 0.166 176.621 176.600 -0.241 0.000 0.994 257 E CA 1.058 57.240 56.400 -0.363 0.000 0.801 257 E CB 0.168 29.860 29.700 -0.013 0.000 0.743 257 E HN 0.557 nan 8.360 nan 0.000 0.453 258 L N 0.937 122.043 121.223 -0.195 0.000 2.334 258 L HA 0.292 4.631 4.340 -0.000 0.000 0.273 258 L C -1.961 174.803 176.870 -0.177 0.000 1.013 258 L CA -2.035 52.663 54.840 -0.237 0.000 0.816 258 L CB 1.840 43.658 42.059 -0.402 0.000 1.278 258 L HN -0.047 nan 8.230 nan 0.000 0.431 259 P HA -0.004 nan 4.420 nan 0.000 0.286 259 P C -0.197 177.052 177.300 -0.084 0.000 1.577 259 P CA 0.123 63.172 63.100 -0.086 0.000 0.805 259 P CB -0.279 31.381 31.700 -0.068 0.000 1.706 260 V N 2.045 121.893 119.914 -0.111 0.000 2.530 260 V HA 0.148 4.267 4.120 -0.000 0.000 0.282 260 V C -1.920 174.162 176.094 -0.020 0.000 1.048 260 V CA -1.725 60.529 62.300 -0.077 0.000 0.997 260 V CB 0.404 32.154 31.823 -0.121 0.000 0.987 260 V HN 0.077 nan 8.190 nan 0.000 0.477 261 P HA 0.080 nan 4.420 nan 0.000 0.262 261 P C -0.347 176.956 177.300 0.004 0.000 1.199 261 P CA 0.035 63.129 63.100 -0.011 0.000 0.763 261 P CB 0.157 31.849 31.700 -0.014 0.000 0.790 262 I N 4.537 125.097 120.570 -0.018 0.000 2.496 262 I HA 0.113 4.283 4.170 -0.000 0.000 0.285 262 I C 1.506 177.558 176.117 -0.107 0.000 1.080 262 I CA 0.396 61.680 61.300 -0.027 0.000 1.404 262 I CB 1.211 39.186 38.000 -0.042 0.000 1.403 262 I HN 0.415 nan 8.210 nan 0.000 0.539 263 R N 5.317 125.722 120.500 -0.159 0.000 2.276 263 R HA 0.277 4.617 4.340 -0.000 0.000 0.195 263 R C -0.523 175.359 176.300 -0.696 0.000 0.908 263 R CA 0.757 56.588 56.100 -0.448 0.000 1.083 263 R CB 0.316 30.275 30.300 -0.569 0.000 1.182 263 R HN 0.370 nan 8.270 nan 0.000 0.608 264 F N -0.219 119.587 119.950 -0.240 0.000 2.593 264 F HA 0.611 5.137 4.527 -0.000 0.000 0.320 264 F C -0.906 174.683 175.800 -0.351 0.000 1.060 264 F CA -1.153 56.599 58.000 -0.412 0.000 0.940 264 F CB 1.845 40.586 39.000 -0.432 0.000 1.268 264 F HN -0.306 nan 8.300 nan 0.000 0.475 265 L N 1.636 122.674 121.223 -0.308 0.000 2.455 265 L HA 0.484 4.824 4.340 -0.000 0.000 0.264 265 L C -1.483 175.190 176.870 -0.329 0.000 0.968 265 L CA -0.215 54.493 54.840 -0.221 0.000 0.827 265 L CB 2.102 44.040 42.059 -0.203 0.000 1.317 265 L HN 0.453 nan 8.230 nan 0.000 0.407 266 F N 2.282 122.160 119.950 -0.120 0.000 2.467 266 F HA 0.681 5.208 4.527 -0.000 0.000 0.336 266 F C -0.285 175.495 175.800 -0.033 0.000 1.123 266 F CA -0.767 57.200 58.000 -0.056 0.000 0.964 266 F CB 2.032 41.010 39.000 -0.036 0.000 1.136 266 F HN 0.006 nan 8.300 nan 0.000 0.447 267 V N 6.133 126.162 119.914 0.192 0.000 2.357 267 V HA 0.343 4.463 4.120 -0.000 0.000 0.281 267 V C -0.530 175.716 176.094 0.254 0.000 1.015 267 V CA -0.614 61.797 62.300 0.184 0.000 0.827 267 V CB 1.322 33.233 31.823 0.147 0.000 1.018 267 V HN 0.509 nan 8.190 nan 0.000 0.432 268 L N 6.582 127.945 121.223 0.232 0.000 2.265 268 L HA 0.641 4.981 4.340 -0.000 0.000 0.289 268 L C -0.578 176.436 176.870 0.240 0.000 1.033 268 L CA -0.083 54.891 54.840 0.223 0.000 0.814 268 L CB 1.108 43.286 42.059 0.199 0.000 1.203 268 L HN 0.403 nan 8.230 nan 0.000 0.423 269 L N 2.904 124.226 121.223 0.167 0.000 2.370 269 L HA 0.995 5.335 4.340 -0.000 0.000 0.266 269 L C 0.170 177.057 176.870 0.028 0.000 1.002 269 L CA -0.556 54.322 54.840 0.065 0.000 0.818 269 L CB 2.264 44.334 42.059 0.018 0.000 1.325 269 L HN 0.695 nan 8.230 nan 0.000 0.418 270 G N 1.537 110.267 108.800 -0.116 0.000 2.356 270 G HA2 0.444 4.403 3.960 -0.000 0.000 0.294 270 G HA3 0.444 4.403 3.960 -0.000 0.000 0.294 270 G C -3.378 171.389 174.900 -0.223 0.000 1.423 270 G CA -0.584 44.480 45.100 -0.061 0.000 0.806 270 G HN 0.269 nan 8.290 nan 0.000 0.527 271 P HA 0.323 nan 4.420 nan 0.000 0.278 271 P C -0.375 176.919 177.300 -0.011 0.000 1.258 271 P CA -0.230 62.799 63.100 -0.118 0.000 0.811 271 P CB 1.499 33.159 31.700 -0.066 0.000 1.063 272 E N 0.011 120.191 120.200 -0.034 0.000 2.398 272 E HA 0.433 4.783 4.350 -0.000 0.000 0.263 272 E C -0.144 176.498 176.600 0.071 0.000 1.046 272 E CA 0.024 56.460 56.400 0.060 0.000 0.908 272 E CB 0.367 30.067 29.700 0.001 0.000 0.963 272 E HN 0.541 nan 8.360 nan 0.000 0.431 273 A N 3.207 126.078 122.820 0.085 0.000 2.601 273 A HA 0.523 4.843 4.320 -0.000 0.000 0.291 273 A C -2.742 174.802 177.584 -0.066 0.000 1.075 273 A CA -1.388 50.654 52.037 0.009 0.000 0.671 273 A CB 1.021 20.040 19.000 0.032 0.000 1.277 273 A HN 0.365 nan 8.150 nan 0.000 0.417 274 P HA 0.406 nan 4.420 nan 0.000 0.271 274 P C -0.157 176.892 177.300 -0.419 0.000 1.216 274 P CA 0.783 63.655 63.100 -0.380 0.000 0.776 274 P CB 0.132 31.561 31.700 -0.453 0.000 0.881 275 H N -0.584 118.285 119.070 -0.335 0.000 4.123 275 H HA -0.156 4.400 4.556 -0.001 0.000 0.146 275 H C 0.164 175.331 175.328 -0.268 0.000 0.800 275 H CA 0.781 56.506 56.048 -0.539 0.000 1.256 275 H CB -1.806 27.480 29.762 -0.793 0.000 0.848 275 H HN 0.394 nan 8.280 nan 0.000 0.462 276 I N 2.763 123.276 120.570 -0.096 0.000 2.307 276 I HA 0.122 4.292 4.170 -0.000 0.000 0.287 276 I C 0.384 176.425 176.117 -0.127 0.000 1.054 276 I CA -0.204 61.008 61.300 -0.147 0.000 1.218 276 I CB 1.200 39.043 38.000 -0.263 0.000 1.398 276 I HN -0.023 nan 8.210 nan 0.000 0.475 277 D N 5.964 126.322 120.400 -0.071 0.000 2.428 277 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 277 D C 0.722 177.008 176.300 -0.023 0.000 1.123 277 D CA -0.319 53.698 54.000 0.029 0.000 0.869 277 D CB 0.703 41.558 40.800 0.091 0.000 1.032 277 D HN 0.339 nan 8.370 nan 0.000 0.506 278 Y N 1.802 122.121 120.300 0.032 0.000 2.256 278 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 278 Y C 2.503 178.434 175.900 0.052 0.000 1.155 278 Y CA 1.372 59.493 58.100 0.035 0.000 1.203 278 Y CB -0.269 38.202 38.460 0.019 0.000 0.980 278 Y HN 0.371 nan 8.280 nan 0.000 0.530 279 T N -0.626 114.032 114.554 0.173 0.000 2.821 279 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 279 T C 1.793 176.572 174.700 0.133 0.000 1.046 279 T CA 1.285 63.472 62.100 0.144 0.000 1.139 279 T CB -0.140 68.790 68.868 0.104 0.000 0.871 279 T HN 0.273 nan 8.240 nan 0.000 0.454 280 Q N 0.503 120.367 119.800 0.107 0.000 2.172 280 Q HA 0.159 4.498 4.340 -0.000 0.000 0.200 280 Q C 2.384 178.419 176.000 0.059 0.000 0.964 280 Q CA 0.663 56.531 55.803 0.108 0.000 0.855 280 Q CB -0.610 28.202 28.738 0.122 0.000 0.918 280 Q HN 0.447 nan 8.270 nan 0.000 0.444 281 L N -0.062 121.162 121.223 0.002 0.000 2.046 281 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 281 L C 2.107 178.940 176.870 -0.061 0.000 1.077 281 L CA 1.502 56.307 54.840 -0.059 0.000 0.747 281 L CB -0.708 41.267 42.059 -0.139 0.000 0.896 281 L HN 0.289 nan 8.230 nan 0.000 0.432 282 G N -0.616 108.190 108.800 0.009 0.000 2.418 282 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.217 282 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.217 282 G C 1.640 176.511 174.900 -0.047 0.000 1.158 282 G CA 0.386 45.484 45.100 -0.004 0.000 0.771 282 G HN 0.306 nan 8.290 nan 0.000 0.545 283 R N 0.450 121.006 120.500 0.092 0.000 2.120 283 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 283 R C 2.965 179.256 176.300 -0.015 0.000 1.123 283 R CA 1.086 57.305 56.100 0.198 0.000 0.975 283 R CB -0.309 30.175 30.300 0.307 0.000 0.866 283 R HN 0.376 nan 8.270 nan 0.000 0.446 284 A N 1.126 123.902 122.820 -0.073 0.000 1.898 284 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 284 A C 2.347 179.701 177.584 -0.383 0.000 1.181 284 A CA 1.454 53.403 52.037 -0.145 0.000 0.620 284 A CB -0.471 18.472 19.000 -0.094 0.000 0.819 284 A HN 0.372 nan 8.150 nan 0.000 0.442 285 A N 0.046 122.560 122.820 -0.509 0.000 1.855 285 A HA 0.176 4.495 4.320 -0.000 0.000 0.215 285 A C 2.517 179.535 177.584 -0.944 0.000 1.191 285 A CA 2.087 53.566 52.037 -0.930 0.000 0.613 285 A CB -1.140 17.172 19.000 -1.148 0.000 0.829 285 A HN 1.085 nan 8.150 nan 0.000 0.442 286 A N -1.153 121.156 122.820 -0.852 0.000 1.972 286 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 286 A C 2.232 179.127 177.584 -1.149 0.000 1.169 286 A CA 2.278 53.649 52.037 -1.110 0.000 0.635 286 A CB -1.070 16.836 19.000 -1.824 0.000 0.810 286 A HN 0.451 nan 8.150 nan 0.000 0.446 287 T N -0.182 113.883 114.554 -0.815 0.000 2.896 287 T HA 0.034 4.384 4.350 -0.000 0.000 0.263 287 T C 1.815 176.281 174.700 -0.390 0.000 1.050 287 T CA 0.849 62.691 62.100 -0.429 0.000 1.140 287 T CB -0.220 68.620 68.868 -0.047 0.000 0.877 287 T HN 0.360 nan 8.240 nan 0.000 0.457 288 L N 0.496 121.324 121.223 -0.659 0.000 1.994 288 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 288 L C 2.532 179.013 176.870 -0.648 0.000 1.071 288 L CA 1.703 55.892 54.840 -1.085 0.000 0.745 288 L CB -0.350 40.955 42.059 -1.256 0.000 0.892 288 L HN 0.292 nan 8.230 nan 0.000 0.431 289 M N -0.318 119.027 119.600 -0.425 0.000 2.108 289 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 289 M C 2.161 178.437 176.300 -0.040 0.000 1.066 289 M CA 1.920 57.197 55.300 -0.038 0.000 1.107 289 M CB -0.313 32.275 32.600 -0.019 0.000 1.356 289 M HN 0.076 nan 8.290 nan 0.000 0.406 290 S N 0.026 115.626 115.700 -0.167 0.000 2.515 290 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 290 S C 0.751 175.385 174.600 0.057 0.000 0.987 290 S CA 0.117 58.285 58.200 -0.052 0.000 0.936 290 S CB -0.482 62.658 63.200 -0.099 0.000 0.766 290 S HN 0.489 nan 8.310 nan 0.000 0.528 291 E N 1.965 122.206 120.200 0.067 0.000 2.257 291 E HA 0.096 4.446 4.350 -0.000 0.000 0.278 291 E C 1.078 177.772 176.600 0.157 0.000 1.049 291 E CA -0.211 56.286 56.400 0.163 0.000 0.876 291 E CB 0.548 30.403 29.700 0.258 0.000 1.035 291 E HN 0.220 nan 8.360 nan 0.000 0.419 292 R N 3.229 123.821 120.500 0.152 0.000 2.122 292 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 292 R C 1.905 178.236 176.300 0.052 0.000 1.129 292 R CA 2.271 58.448 56.100 0.129 0.000 0.925 292 R CB -0.370 30.048 30.300 0.196 0.000 0.850 292 R HN 0.480 nan 8.270 nan 0.000 0.431 293 V N 0.682 120.545 119.914 -0.084 0.000 2.380 293 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 293 V C 2.059 178.150 176.094 -0.006 0.000 1.063 293 V CA 2.184 64.403 62.300 -0.135 0.000 1.055 293 V CB -0.690 30.960 31.823 -0.289 0.000 0.657 293 V HN 0.394 nan 8.190 nan 0.000 0.455 294 F N 0.646 120.553 119.950 -0.071 0.000 2.163 294 F HA -0.046 4.481 4.527 -0.000 0.000 0.297 294 F C 2.608 178.363 175.800 -0.076 0.000 1.094 294 F CA 1.707 59.650 58.000 -0.095 0.000 1.290 294 F CB -0.339 38.560 39.000 -0.168 0.000 1.017 294 F HN -0.123 nan 8.300 nan 0.000 0.483 295 R N 0.748 121.265 120.500 0.028 0.000 2.096 295 R HA -0.218 4.121 4.340 -0.000 0.000 0.240 295 R C 2.284 178.631 176.300 0.077 0.000 1.139 295 R CA 2.428 58.520 56.100 -0.014 0.000 0.952 295 R CB -0.803 29.590 30.300 0.155 0.000 0.854 295 R HN 0.415 nan 8.270 nan 0.000 0.436 296 I N 0.898 121.528 120.570 0.101 0.000 2.361 296 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 296 I C 1.515 177.658 176.117 0.043 0.000 1.133 296 I CA 1.201 62.575 61.300 0.125 0.000 1.413 296 I CB -0.181 37.851 38.000 0.053 0.000 1.073 296 I HN 0.154 nan 8.210 nan 0.000 0.424 297 D N 0.672 120.999 120.400 -0.122 0.000 2.194 297 D HA -0.032 4.608 4.640 -0.000 0.000 0.204 297 D C 2.244 178.379 176.300 -0.275 0.000 0.964 297 D CA 1.214 55.098 54.000 -0.195 0.000 0.846 297 D CB -0.037 40.608 40.800 -0.258 0.000 0.962 297 D HN 0.314 nan 8.370 nan 0.000 0.490 298 A N -0.307 122.231 122.820 -0.470 0.000 2.014 298 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 298 A C 1.891 179.497 177.584 0.035 0.000 1.163 298 A CA 0.783 52.577 52.037 -0.405 0.000 0.652 298 A CB -0.705 17.828 19.000 -0.778 0.000 0.808 298 A HN 0.226 nan 8.150 nan 0.000 0.449 299 Y N -0.614 119.759 120.300 0.123 0.000 2.286 299 Y HA -0.035 4.515 4.550 -0.001 0.000 0.293 299 Y C 2.487 178.424 175.900 0.062 0.000 1.124 299 Y CA 1.515 59.719 58.100 0.173 0.000 1.178 299 Y CB -0.095 38.445 38.460 0.134 0.000 1.010 299 Y HN 0.199 nan 8.280 nan 0.000 0.536 300 M N -0.490 119.213 119.600 0.171 0.000 2.506 300 M HA 0.106 4.586 4.480 -0.000 0.000 0.260 300 M C 1.041 177.366 176.300 0.043 0.000 1.104 300 M CA 0.071 55.422 55.300 0.084 0.000 1.112 300 M CB -0.178 32.449 32.600 0.044 0.000 1.401 300 M HN 0.069 nan 8.290 nan 0.000 0.473 301 A N 1.189 124.022 122.820 0.021 0.000 2.498 301 A HA 0.057 4.376 4.320 -0.000 0.000 0.239 301 A C 0.823 178.424 177.584 0.028 0.000 1.068 301 A CA 0.239 52.278 52.037 0.003 0.000 0.766 301 A CB 0.302 19.279 19.000 -0.039 0.000 1.003 301 A HN 0.412 nan 8.150 nan 0.000 0.497 302 Q N 0.070 119.881 119.800 0.020 0.000 2.140 302 Q HA 0.165 4.505 4.340 -0.000 0.000 0.227 302 Q C -0.242 175.772 176.000 0.023 0.000 0.798 302 Q CA 0.705 56.521 55.803 0.023 0.000 0.987 302 Q CB 0.518 29.266 28.738 0.016 0.000 1.161 302 Q HN 0.927 nan 8.270 nan 0.000 0.480 303 S N -1.394 114.317 115.700 0.019 0.000 2.588 303 S HA 0.530 5.000 4.470 -0.000 0.000 0.275 303 S C 0.368 174.971 174.600 0.006 0.000 1.130 303 S CA -0.864 57.347 58.200 0.019 0.000 0.855 303 S CB 2.765 65.976 63.200 0.018 0.000 1.116 303 S HN 0.088 nan 8.310 nan 0.000 0.472 304 R N 0.698 121.207 120.500 0.015 0.000 2.073 304 R HA 0.024 4.363 4.340 -0.000 0.000 0.229 304 R C 2.174 178.426 176.300 -0.080 0.000 1.120 304 R CA 1.682 57.786 56.100 0.006 0.000 0.967 304 R CB -1.241 29.097 30.300 0.064 0.000 0.862 304 R HN 0.904 nan 8.270 nan 0.000 0.436 305 G N 0.769 109.525 108.800 -0.074 0.000 2.507 305 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.221 305 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.221 305 G C 1.073 175.892 174.900 -0.134 0.000 1.119 305 G CA 1.093 46.102 45.100 -0.151 0.000 0.751 305 G HN 0.476 nan 8.290 nan 0.000 0.574 306 E N -0.135 120.046 120.200 -0.032 0.000 2.107 306 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 306 E C 2.598 179.148 176.600 -0.084 0.000 0.982 306 E CA 0.410 56.816 56.400 0.010 0.000 0.809 306 E CB -0.151 29.543 29.700 -0.009 0.000 0.756 306 E HN 0.425 nan 8.360 nan 0.000 0.459 307 L N 0.734 121.847 121.223 -0.183 0.000 2.017 307 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 307 L C 2.474 179.129 176.870 -0.358 0.000 1.073 307 L CA 1.010 55.681 54.840 -0.281 0.000 0.745 307 L CB -0.526 41.314 42.059 -0.364 0.000 0.894 307 L HN 0.174 nan 8.230 nan 0.000 0.432 308 L N -1.165 119.785 121.223 -0.455 0.000 2.083 308 L HA -0.229 4.110 4.340 -0.000 0.000 0.209 308 L C 2.752 179.459 176.870 -0.271 0.000 1.083 308 L CA 1.030 55.588 54.840 -0.470 0.000 0.752 308 L CB -0.968 40.846 42.059 -0.409 0.000 0.899 308 L HN 0.375 nan 8.230 nan 0.000 0.433 309 H N -1.099 117.888 119.070 -0.139 0.000 2.423 309 H HA -0.105 4.451 4.556 -0.001 0.000 0.297 309 H C 2.594 177.890 175.328 -0.053 0.000 1.075 309 H CA 1.482 57.482 56.048 -0.081 0.000 1.342 309 H CB 0.101 29.825 29.762 -0.064 0.000 1.395 309 H HN 0.217 nan 8.280 nan 0.000 0.530 310 S N -0.062 115.681 115.700 0.073 0.000 2.395 310 S HA -0.016 4.454 4.470 -0.000 0.000 0.225 310 S C 2.210 176.888 174.600 0.129 0.000 1.027 310 S CA 0.177 58.448 58.200 0.118 0.000 0.965 310 S CB -0.187 63.104 63.200 0.152 0.000 0.812 310 S HN 0.332 nan 8.310 nan 0.000 0.482 311 L N 1.210 122.428 121.223 -0.008 0.000 2.056 311 L HA -0.078 4.261 4.340 -0.000 0.000 0.207 311 L C 2.522 179.403 176.870 0.019 0.000 1.078 311 L CA 2.000 56.770 54.840 -0.117 0.000 0.749 311 L CB -0.513 41.356 42.059 -0.316 0.000 0.901 311 L HN 0.484 nan 8.230 nan 0.000 0.433 312 E N -0.474 119.726 120.200 -0.000 0.000 2.085 312 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 312 E C 1.976 178.610 176.600 0.058 0.000 0.994 312 E CA 1.404 57.820 56.400 0.028 0.000 0.801 312 E CB -0.223 29.505 29.700 0.046 0.000 0.743 312 E HN 0.575 nan 8.360 nan 0.000 0.453 313 G N 0.152 108.998 108.800 0.078 0.000 2.402 313 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.216 313 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.216 313 G C 1.356 176.309 174.900 0.089 0.000 1.162 313 G CA 0.577 45.717 45.100 0.068 0.000 0.777 313 G HN 0.386 nan 8.290 nan 0.000 0.539 314 F N 1.321 121.248 119.950 -0.038 0.000 2.091 314 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 314 F C 2.418 178.189 175.800 -0.048 0.000 1.103 314 F CA 1.466 59.434 58.000 -0.053 0.000 1.228 314 F CB -0.173 38.766 39.000 -0.103 0.000 0.984 314 F HN 0.055 nan 8.300 nan 0.000 0.477 315 L N -0.274 121.004 121.223 0.093 0.000 2.056 315 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 315 L C 2.031 178.870 176.870 -0.052 0.000 1.078 315 L CA 1.751 56.584 54.840 -0.012 0.000 0.749 315 L CB -0.835 41.242 42.059 0.030 0.000 0.901 315 L HN 0.072 nan 8.230 nan 0.000 0.433 316 D N -0.818 119.569 120.400 -0.021 0.000 2.182 316 D HA -0.167 4.472 4.640 -0.000 0.000 0.201 316 D C 1.630 177.904 176.300 -0.042 0.000 0.986 316 D CA 1.111 55.099 54.000 -0.021 0.000 0.847 316 D CB 0.074 40.873 40.800 -0.001 0.000 0.942 316 D HN 0.347 nan 8.370 nan 0.000 0.467 317 C N 0.423 119.679 119.300 -0.072 0.000 2.688 317 C HA 0.353 4.812 4.460 -0.000 0.000 0.297 317 C C 0.527 175.431 174.990 -0.144 0.000 1.308 317 C CA -0.537 58.432 59.018 -0.082 0.000 1.726 317 C CB -1.117 26.592 27.740 -0.052 0.000 1.982 317 C HN 0.063 nan 8.230 nan 0.000 0.604 318 S N 0.947 116.536 115.700 -0.184 0.000 2.610 318 S HA 0.531 5.001 4.470 -0.000 0.000 0.273 318 S C -0.526 174.018 174.600 -0.093 0.000 1.274 318 S CA -0.219 57.858 58.200 -0.204 0.000 1.023 318 S CB 1.111 64.160 63.200 -0.251 0.000 0.962 318 S HN 0.508 nan 8.310 nan 0.000 0.523 319 L N 3.529 124.715 121.223 -0.063 0.000 2.294 319 L HA 0.546 4.886 4.340 -0.000 0.000 0.283 319 L C -1.308 175.555 176.870 -0.011 0.000 1.015 319 L CA -0.654 54.169 54.840 -0.027 0.000 0.831 319 L CB 0.784 42.834 42.059 -0.015 0.000 1.217 319 L HN 0.366 nan 8.230 nan 0.000 0.420 320 V N 6.192 126.102 119.914 -0.006 0.000 2.406 320 V HA 0.246 4.366 4.120 -0.000 0.000 0.272 320 V C 0.081 176.168 176.094 -0.012 0.000 1.043 320 V CA -0.490 61.813 62.300 0.005 0.000 0.915 320 V CB 1.505 33.336 31.823 0.014 0.000 0.988 320 V HN 0.529 nan 8.190 nan 0.000 0.466 321 L N 8.607 129.824 121.223 -0.009 0.000 2.301 321 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 321 L C -1.766 175.089 176.870 -0.026 0.000 1.022 321 L CA -1.325 53.503 54.840 -0.020 0.000 0.854 321 L CB 1.571 43.617 42.059 -0.021 0.000 1.226 321 L HN 0.564 nan 8.230 nan 0.000 0.429 322 P HA 0.299 nan 4.420 nan 0.000 0.272 322 P C -2.650 174.630 177.300 -0.033 0.000 1.230 322 P CA -1.044 62.027 63.100 -0.048 0.000 0.788 322 P CB -0.290 31.373 31.700 -0.061 0.000 0.949 323 P HA 0.084 nan 4.420 nan 0.000 0.263 323 P C -0.295 176.993 177.300 -0.020 0.000 1.195 323 P CA 0.565 63.654 63.100 -0.018 0.000 0.762 323 P CB 0.500 32.193 31.700 -0.011 0.000 0.799 324 T N 1.054 115.597 114.554 -0.018 0.000 2.802 324 T HA 0.138 4.488 4.350 -0.000 0.000 0.311 324 T C -1.557 173.134 174.700 -0.016 0.000 1.405 324 T CA -0.748 61.342 62.100 -0.018 0.000 1.016 324 T CB 1.085 69.942 68.868 -0.020 0.000 1.352 324 T HN 0.293 nan 8.240 nan 0.000 0.498 325 D N 2.630 123.022 120.400 -0.014 0.000 2.382 325 D HA 0.352 4.992 4.640 -0.000 0.000 0.259 325 D C 0.458 176.750 176.300 -0.013 0.000 1.224 325 D CA -0.006 53.987 54.000 -0.012 0.000 0.894 325 D CB 1.004 41.797 40.800 -0.011 0.000 1.127 325 D HN 0.771 nan 8.370 nan 0.000 0.487 326 A N 5.202 128.014 122.820 -0.013 0.000 2.573 326 A HA 0.189 4.509 4.320 -0.000 0.000 0.250 326 A C -1.811 175.767 177.584 -0.010 0.000 1.049 326 A CA -0.401 51.628 52.037 -0.013 0.000 0.767 326 A CB -0.246 18.746 19.000 -0.013 0.000 0.965 326 A HN 0.418 nan 8.150 nan 0.000 0.514 327 P HA 0.290 nan 4.420 nan 0.000 0.204 327 P C 0.414 177.711 177.300 -0.005 0.000 1.739 327 P CA -0.447 62.649 63.100 -0.007 0.000 1.418 327 P CB 1.188 32.884 31.700 -0.007 0.000 1.353 328 S N 2.442 118.140 115.700 -0.003 0.000 2.380 328 S HA -0.302 4.167 4.470 -0.000 0.000 0.229 328 S C 1.466 176.067 174.600 0.001 0.000 1.050 328 S CA 1.691 59.891 58.200 0.000 0.000 1.100 328 S CB -0.781 62.421 63.200 0.002 0.000 0.984 328 S HN 0.361 nan 8.310 nan 0.000 0.434 329 E N 1.192 121.393 120.200 0.001 0.000 2.204 329 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 329 E C 2.155 178.755 176.600 0.000 0.000 0.989 329 E CA 0.932 57.332 56.400 0.001 0.000 0.824 329 E CB -0.292 29.408 29.700 0.001 0.000 0.756 329 E HN 0.523 nan 8.360 nan 0.000 0.477 330 Q N -0.590 119.208 119.800 -0.002 0.000 2.432 330 Q HA 0.209 4.549 4.340 -0.000 0.000 0.205 330 Q C 1.663 177.661 176.000 -0.004 0.000 0.945 330 Q CA 0.896 56.697 55.803 -0.003 0.000 0.924 330 Q CB 0.056 28.791 28.738 -0.005 0.000 1.016 330 Q HN 0.296 nan 8.270 nan 0.000 0.503 331 A N 0.343 123.161 122.820 -0.003 0.000 1.832 331 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 331 A C 1.723 179.308 177.584 0.001 0.000 1.204 331 A CA 0.865 52.900 52.037 -0.003 0.000 0.606 331 A CB -0.714 18.284 19.000 -0.003 0.000 0.849 331 A HN 0.346 nan 8.150 nan 0.000 0.445 332 L N 0.797 122.022 121.223 0.004 0.000 2.551 332 L HA -0.132 4.208 4.340 -0.000 0.000 0.230 332 L C 2.287 179.159 176.870 0.005 0.000 1.163 332 L CA 0.774 55.618 54.840 0.007 0.000 0.826 332 L CB -0.691 41.373 42.059 0.009 0.000 0.943 332 L HN 0.649 nan 8.230 nan 0.000 0.452 333 L N -2.688 118.536 121.223 0.002 0.000 2.446 333 L HA 0.046 4.385 4.340 -0.000 0.000 0.219 333 L C 2.230 179.100 176.870 -0.000 0.000 1.116 333 L CA 1.272 56.112 54.840 0.001 0.000 0.844 333 L CB -0.019 42.039 42.059 -0.001 0.000 0.970 333 L HN 0.263 nan 8.230 nan 0.000 0.457 334 S N 0.012 115.712 115.700 -0.000 0.000 2.731 334 S HA 0.208 4.678 4.470 -0.000 0.000 0.244 334 S C 1.334 175.935 174.600 0.002 0.000 1.084 334 S CA -0.318 57.881 58.200 -0.001 0.000 0.877 334 S CB -0.525 62.672 63.200 -0.005 0.000 0.798 334 S HN 0.354 nan 8.310 nan 0.000 0.496 335 L N 2.818 124.043 121.223 0.003 0.000 2.974 335 L HA 0.294 4.634 4.340 -0.000 0.000 0.250 335 L C 0.325 177.202 176.870 0.012 0.000 1.376 335 L CA -0.241 54.604 54.840 0.008 0.000 1.170 335 L CB -0.467 41.597 42.059 0.008 0.000 1.577 335 L HN 0.295 nan 8.230 nan 0.000 0.429 336 V N -1.139 118.781 119.914 0.010 0.000 5.564 336 V HA 0.034 4.154 4.120 -0.000 0.000 0.110 336 V C -1.419 174.679 176.094 0.008 0.000 1.126 336 V CA 0.189 62.495 62.300 0.010 0.000 1.004 336 V CB 0.124 31.952 31.823 0.009 0.000 1.373 336 V HN 0.194 nan 8.190 nan 0.000 0.661 337 P HA -0.051 nan 4.420 nan 0.000 0.219 337 P C 1.597 178.900 177.300 0.004 0.000 1.150 337 P CA 1.464 64.566 63.100 0.004 0.000 0.814 337 P CB 0.182 31.884 31.700 0.002 0.000 0.787 338 V N 0.977 120.893 119.914 0.003 0.000 2.307 338 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 338 V C 3.033 179.129 176.094 0.004 0.000 1.045 338 V CA 1.759 64.060 62.300 0.002 0.000 1.024 338 V CB -1.318 30.504 31.823 -0.001 0.000 0.651 338 V HN 0.149 nan 8.190 nan 0.000 0.449 339 Q N 0.451 120.255 119.800 0.007 0.000 2.096 339 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 339 Q C 2.436 178.445 176.000 0.016 0.000 0.982 339 Q CA 1.877 57.688 55.803 0.012 0.000 0.850 339 Q CB -0.094 28.655 28.738 0.019 0.000 0.901 339 Q HN 0.585 nan 8.270 nan 0.000 0.422 340 R N -0.089 120.419 120.500 0.013 0.000 2.092 340 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 340 R C 2.295 178.604 176.300 0.015 0.000 1.119 340 R CA 0.998 57.105 56.100 0.011 0.000 0.970 340 R CB -0.113 30.190 30.300 0.005 0.000 0.864 340 R HN 0.197 nan 8.270 nan 0.000 0.440 341 E N 1.184 121.392 120.200 0.013 0.000 2.051 341 E HA -0.125 4.224 4.350 -0.000 0.000 0.192 341 E C 2.069 178.683 176.600 0.023 0.000 0.991 341 E CA 1.096 57.505 56.400 0.015 0.000 0.799 341 E CB -0.104 29.602 29.700 0.009 0.000 0.748 341 E HN 0.270 nan 8.360 nan 0.000 0.449 342 L N 0.292 121.526 121.223 0.018 0.000 1.989 342 L HA -0.225 4.114 4.340 -0.000 0.000 0.211 342 L C 2.718 179.615 176.870 0.046 0.000 1.071 342 L CA 0.986 55.836 54.840 0.017 0.000 0.749 342 L CB -0.630 41.427 42.059 -0.004 0.000 0.890 342 L HN 0.199 nan 8.230 nan 0.000 0.431 343 L N 0.201 121.460 121.223 0.060 0.000 2.013 343 L HA -0.265 4.074 4.340 -0.000 0.000 0.212 343 L C 2.757 179.733 176.870 0.178 0.000 1.073 343 L CA 1.827 56.742 54.840 0.125 0.000 0.753 343 L CB -0.638 41.470 42.059 0.082 0.000 0.890 343 L HN 0.137 nan 8.230 nan 0.000 0.432 344 R N -0.685 119.873 120.500 0.097 0.000 2.081 344 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 344 R C 2.432 178.798 176.300 0.110 0.000 1.131 344 R CA 1.600 57.755 56.100 0.092 0.000 0.960 344 R CB -0.160 30.165 30.300 0.042 0.000 0.856 344 R HN 0.415 nan 8.270 nan 0.000 0.436 345 R N -0.328 120.219 120.500 0.078 0.000 2.096 345 R HA -0.139 4.200 4.340 -0.000 0.000 0.235 345 R C 2.352 178.692 176.300 0.067 0.000 1.127 345 R CA 1.378 57.513 56.100 0.057 0.000 0.968 345 R CB -0.299 30.020 30.300 0.032 0.000 0.861 345 R HN 0.041 nan 8.270 nan 0.000 0.440 346 R N 0.323 120.878 120.500 0.091 0.000 2.096 346 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 346 R C 1.256 177.548 176.300 -0.014 0.000 1.127 346 R CA 1.629 57.754 56.100 0.042 0.000 0.968 346 R CB -0.414 29.913 30.300 0.046 0.000 0.861 346 R HN 0.262 nan 8.270 nan 0.000 0.440 347 Y N 0.397 120.715 120.300 0.030 0.000 2.511 347 Y HA 0.163 4.713 4.550 -0.001 0.000 0.279 347 Y C 2.036 177.948 175.900 0.020 0.000 1.157 347 Y CA 0.220 58.338 58.100 0.030 0.000 1.300 347 Y CB 0.029 38.506 38.460 0.028 0.000 1.052 347 Y HN 0.133 nan 8.280 nan 0.000 0.529 348 Q N -0.140 119.742 119.800 0.136 0.000 2.012 348 Q HA -0.219 4.121 4.340 -0.000 0.000 0.211 348 Q C 1.305 177.336 176.000 0.052 0.000 1.009 348 Q CA 2.170 58.020 55.803 0.078 0.000 0.866 348 Q CB -0.346 28.422 28.738 0.049 0.000 0.945 348 Q HN 0.254 nan 8.270 nan 0.000 0.414 349 S N 0.027 115.743 115.700 0.027 0.000 2.622 349 S HA 0.136 4.606 4.470 -0.000 0.000 0.236 349 S C -0.100 174.502 174.600 0.003 0.000 0.956 349 S CA -0.355 57.851 58.200 0.009 0.000 0.971 349 S CB 0.550 63.745 63.200 -0.009 0.000 0.782 349 S HN 0.149 nan 8.310 nan 0.000 0.468 350 S N 2.480 118.189 115.700 0.015 0.000 2.501 350 S HA 0.430 4.900 4.470 -0.000 0.000 0.301 350 S C -2.025 172.602 174.600 0.045 0.000 1.096 350 S CA -1.694 56.506 58.200 -0.000 0.000 1.063 350 S CB 1.198 64.351 63.200 -0.078 0.000 1.042 350 S HN 0.073 nan 8.310 nan 0.000 0.494 351 P HA 0.168 nan 4.420 nan 0.000 0.242 351 P C 0.181 177.531 177.300 0.083 0.000 1.197 351 P CA 0.119 63.248 63.100 0.048 0.000 0.765 351 P CB -0.234 31.481 31.700 0.026 0.000 0.936 352 A N 1.390 124.284 122.820 0.123 0.000 2.287 352 A HA 0.533 4.853 4.320 -0.000 0.000 0.273 352 A C 0.340 178.151 177.584 0.378 0.000 1.091 352 A CA -0.270 51.906 52.037 0.231 0.000 0.817 352 A CB 0.459 19.577 19.000 0.197 0.000 1.069 352 A HN 0.173 nan 8.150 nan 0.000 0.492 353 K N 0.429 121.014 120.400 0.307 0.000 2.525 353 K HA 0.566 4.885 4.320 -0.000 0.000 0.254 353 K C -3.312 173.227 176.600 -0.103 0.000 0.934 353 K CA -1.763 54.554 56.287 0.050 0.000 0.802 353 K CB 1.229 33.743 32.500 0.023 0.000 1.295 353 K HN 0.298 nan 8.250 nan 0.000 0.433 354 P HA 0.122 nan 4.420 nan 0.000 0.268 354 P C -1.061 176.165 177.300 -0.123 0.000 1.208 354 P CA 0.163 63.047 63.100 -0.360 0.000 0.777 354 P CB 0.506 31.940 31.700 -0.442 0.000 0.875 355 D N 0.000 120.366 120.400 -0.056 0.000 6.856 355 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 355 D CA 0.000 53.991 54.000 -0.016 0.000 0.868 355 D CB 0.000 40.811 40.800 0.018 0.000 0.688 355 D HN 0.000 nan 8.370 nan 0.000 0.683