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 3fw6_1_A DATA FIRST_RESID 31 DATA SEQUENCE QNPSVTISVN ANAGRHPINP AVYGLAYATT ATLADLNVPL HRYGGNNTSR DATA SEQUENCE YNWQLNADNR GADWYFESIG EASSVAGERG DTFIANSQAA GAQAMITIPT DATA SEQUENCE IGWVARLGAN RSKLASFSIA KYGAQSGNDW QWFPDAGNGV LTSGQNVTGN DATA SEQUENCE NPNDANTLVD STFQQGWAQH LVSQWGTAAG GGLRYYILDN EPSIWFSTHR DATA SEQUENCE DVHPVGPTMD EIRDKMLDYG AKIKTVDPSA LIVGPEEWGW SGYTLSGYDQ DATA SEQUENCE QYGGLHGWSF MPDRNNHGGW DYLPWLLDQL RQNNLSTGRR LLDVFSVHYY DATA SEQUENCE PQGGEFGNDT SSAMQLRRNR STRSLWDPNY IDETWINDKV QLIPRLKNWV DATA SEQUENCE STYYPGTLTA ITEYNWGAES HINGATTQAD ILGIFGREGL DMAARWTTPD DATA SEQUENCE TATPTYKAIK MYRNYDGNKS AFGDTSVTAT APNPDNVSAF AAVRSSDGAL DATA SEQUENCE TVMVINKYLS GNTPATINLS NFTAQAQAQV WQLTAANTIN HLSNVSLSGS DATA SEQUENCE SLSLTLPAQS VTLLVIPAS 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 31 Q HA 0.000 nan 4.340 nan 0.000 0.214 31 Q C 0.000 175.916 176.000 -0.140 0.000 1.003 31 Q CA 0.000 55.749 55.803 -0.090 0.000 1.022 31 Q CB 0.000 28.688 28.738 -0.083 0.000 1.108 32 N N 2.603 121.176 118.700 -0.211 0.000 2.472 32 N HA 0.480 4.745 4.740 -0.792 0.000 0.289 32 N C -2.563 172.815 175.510 -0.220 0.000 1.156 32 N CA -1.334 51.509 53.050 -0.346 0.000 0.940 32 N CB 1.028 39.066 38.487 -0.749 0.000 1.200 32 N HN -0.124 nan 8.380 nan 0.000 0.511 33 P HA 0.009 nan 4.420 nan 0.000 0.268 33 P C -0.036 177.249 177.300 -0.026 0.000 1.204 33 P CA 0.162 63.229 63.100 -0.056 0.000 0.768 33 P CB 0.488 32.190 31.700 0.003 0.000 0.842 34 S N 2.201 117.893 115.700 -0.014 0.000 2.566 34 S HA 0.287 4.282 4.470 -0.792 0.000 0.280 34 S C -0.086 174.529 174.600 0.025 0.000 1.343 34 S CA -0.415 57.785 58.200 0.000 0.000 1.036 34 S CB -0.188 63.008 63.200 -0.006 0.000 0.866 34 S HN 0.296 nan 8.310 nan 0.000 0.526 35 V N 1.966 121.895 119.914 0.027 0.000 2.876 35 V HA 0.776 4.421 4.120 -0.792 0.000 0.312 35 V C -0.390 175.707 176.094 0.005 0.000 1.085 35 V CA -0.761 61.555 62.300 0.026 0.000 0.945 35 V CB 1.659 33.508 31.823 0.044 0.000 1.017 35 V HN 0.772 nan 8.190 nan 0.000 0.428 36 T N 5.203 119.754 114.554 -0.004 0.000 2.770 36 T HA 0.722 4.597 4.350 -0.792 0.000 0.283 36 T C -0.381 174.303 174.700 -0.027 0.000 0.988 36 T CA -0.024 62.068 62.100 -0.013 0.000 0.957 36 T CB 0.985 69.847 68.868 -0.011 0.000 0.930 36 T HN 0.645 nan 8.240 nan 0.000 0.443 37 I N 3.303 123.852 120.570 -0.035 0.000 2.389 37 I HA 0.352 4.047 4.170 -0.792 0.000 0.288 37 I C 0.203 176.291 176.117 -0.049 0.000 0.999 37 I CA -0.694 60.574 61.300 -0.054 0.000 1.129 37 I CB 1.725 39.684 38.000 -0.068 0.000 1.288 37 I HN 0.624 nan 8.210 nan 0.000 0.444 38 S N 5.779 121.447 115.700 -0.052 0.000 2.451 38 S HA 0.718 4.713 4.470 -0.792 0.000 0.301 38 S C -0.598 173.971 174.600 -0.051 0.000 1.116 38 S CA -0.740 57.435 58.200 -0.041 0.000 1.093 38 S CB 1.847 65.028 63.200 -0.031 0.000 1.017 38 S HN 0.277 nan 8.310 nan 0.000 0.482 39 V N 3.422 123.308 119.914 -0.046 0.000 2.407 39 V HA 0.456 4.101 4.120 -0.792 0.000 0.291 39 V C -0.483 175.590 176.094 -0.035 0.000 1.018 39 V CA -0.744 61.523 62.300 -0.055 0.000 0.842 39 V CB 1.373 33.148 31.823 -0.079 0.000 0.996 39 V HN 0.958 nan 8.190 nan 0.000 0.426 40 N N 3.806 122.491 118.700 -0.025 0.000 2.546 40 N HA 0.358 4.623 4.740 -0.792 0.000 0.238 40 N C 0.836 176.347 175.510 0.001 0.000 0.984 40 N CA -0.040 53.009 53.050 -0.001 0.000 0.935 40 N CB 1.919 40.407 38.487 0.002 0.000 1.122 40 N HN 0.729 nan 8.380 nan 0.000 0.510 41 A N 3.335 126.167 122.820 0.021 0.000 2.234 41 A HA -0.088 3.757 4.320 -0.792 0.000 0.216 41 A C 1.554 179.165 177.584 0.044 0.000 1.167 41 A CA 0.872 52.928 52.037 0.032 0.000 0.698 41 A CB -0.200 18.881 19.000 0.136 0.000 0.779 41 A HN 0.724 nan 8.150 nan 0.000 0.475 42 N N -0.882 117.841 118.700 0.039 0.000 2.205 42 N HA 0.256 4.521 4.740 -0.792 0.000 0.201 42 N C 0.170 175.695 175.510 0.025 0.000 1.128 42 N CA 0.691 53.760 53.050 0.033 0.000 0.867 42 N CB 0.461 38.967 38.487 0.032 0.000 0.996 42 N HN 0.436 nan 8.380 nan 0.000 0.503 43 A N -1.142 121.690 122.820 0.020 0.000 2.330 43 A HA 0.612 4.457 4.320 -0.792 0.000 0.329 43 A C 0.991 178.596 177.584 0.034 0.000 1.135 43 A CA 0.074 52.125 52.037 0.023 0.000 0.817 43 A CB 0.680 19.689 19.000 0.015 0.000 1.269 43 A HN 0.151 nan 8.150 nan 0.000 0.469 44 G N 0.355 109.189 108.800 0.056 0.000 2.233 44 G HA2 -0.271 3.214 3.960 -0.792 0.000 0.270 44 G HA3 -0.271 3.214 3.960 -0.792 0.000 0.270 44 G C 0.352 175.353 174.900 0.168 0.000 1.011 44 G CA 0.822 45.988 45.100 0.111 0.000 0.762 44 G HN 0.882 nan 8.290 nan 0.000 0.511 45 R N 1.207 121.764 120.500 0.096 0.000 2.421 45 R HA 0.420 4.285 4.340 -0.792 0.000 0.305 45 R C 0.699 177.083 176.300 0.140 0.000 1.039 45 R CA 0.665 56.799 56.100 0.056 0.000 1.003 45 R CB 0.162 30.481 30.300 0.031 0.000 0.959 45 R HN 0.777 nan 8.270 nan 0.000 0.427 46 H N 1.291 120.366 119.070 0.007 0.000 3.060 46 H HA 0.289 4.370 4.556 -0.792 0.000 0.330 46 H C -3.230 172.105 175.328 0.011 0.000 1.305 46 H CA -2.334 53.718 56.048 0.007 0.000 1.209 46 H CB 1.338 31.103 29.762 0.005 0.000 1.913 46 H HN 0.335 nan 8.280 nan 0.000 0.534 47 P HA 0.293 nan 4.420 nan 0.000 0.274 47 P C -0.105 177.215 177.300 0.033 0.000 1.231 47 P CA -0.371 62.735 63.100 0.009 0.000 0.790 47 P CB 1.532 33.258 31.700 0.043 0.000 0.951 48 I N 2.375 122.951 120.570 0.010 0.000 2.330 48 I HA 0.179 3.874 4.170 -0.792 0.000 0.286 48 I C 0.850 177.000 176.117 0.055 0.000 1.025 48 I CA -0.767 60.560 61.300 0.044 0.000 1.197 48 I CB 0.560 38.612 38.000 0.086 0.000 1.358 48 I HN 0.295 nan 8.210 nan 0.000 0.467 49 N N 9.467 128.182 118.700 0.025 0.000 2.440 49 N HA 0.053 4.318 4.740 -0.792 0.000 0.265 49 N C -1.397 174.122 175.510 0.015 0.000 1.239 49 N CA -1.368 51.693 53.050 0.018 0.000 0.909 49 N CB 1.198 39.678 38.487 -0.012 0.000 1.066 49 N HN 0.353 nan 8.380 nan 0.000 0.474 50 P HA -0.089 nan 4.420 nan 0.000 0.231 50 P C 0.534 177.915 177.300 0.136 0.000 1.158 50 P CA 0.575 63.805 63.100 0.217 0.000 0.763 50 P CB 0.122 31.944 31.700 0.203 0.000 0.805 51 A N 0.513 123.344 122.820 0.018 0.000 2.168 51 A HA -0.036 3.809 4.320 -0.792 0.000 0.215 51 A C 2.118 179.632 177.584 -0.117 0.000 1.152 51 A CA 1.177 53.199 52.037 -0.025 0.000 0.716 51 A CB -1.336 17.635 19.000 -0.047 0.000 0.794 51 A HN 0.226 nan 8.150 nan 0.000 0.465 52 V N -4.494 115.264 119.914 -0.260 0.000 3.141 52 V HA -0.094 3.551 4.120 -0.792 0.000 0.265 52 V C 1.496 177.400 176.094 -0.316 0.000 1.126 52 V CA 1.047 63.121 62.300 -0.376 0.000 1.141 52 V CB -1.429 30.098 31.823 -0.493 0.000 0.743 52 V HN 0.521 nan 8.190 nan 0.000 0.492 53 Y N 2.209 122.537 120.300 0.047 0.000 2.532 53 Y HA 0.642 4.716 4.550 -0.792 0.000 0.283 53 Y C 1.846 177.779 175.900 0.055 0.000 1.181 53 Y CA -0.639 57.485 58.100 0.040 0.000 1.256 53 Y CB -0.742 37.711 38.460 -0.011 0.000 1.112 53 Y HN 0.307 nan 8.280 nan 0.000 0.521 54 G N 0.838 109.720 108.800 0.136 0.000 2.630 54 G HA2 0.381 3.866 3.960 -0.792 0.000 0.236 54 G HA3 0.381 3.866 3.960 -0.792 0.000 0.236 54 G C -0.622 174.357 174.900 0.132 0.000 1.248 54 G CA -0.129 45.038 45.100 0.111 0.000 0.844 54 G HN 0.243 nan 8.290 nan 0.000 0.588 55 L N -0.017 121.281 121.223 0.125 0.000 2.424 55 L HA 0.695 4.560 4.340 -0.792 0.000 0.258 55 L C 0.146 177.130 176.870 0.190 0.000 0.995 55 L CA -1.155 53.758 54.840 0.121 0.000 0.821 55 L CB 2.333 44.444 42.059 0.087 0.000 1.383 55 L HN 0.691 nan 8.230 nan 0.000 0.410 56 A N 0.529 123.420 122.820 0.118 0.000 2.325 56 A HA 0.700 4.545 4.320 -0.792 0.000 0.333 56 A C -1.069 176.593 177.584 0.130 0.000 1.155 56 A CA -0.429 51.640 52.037 0.053 0.000 0.814 56 A CB 0.312 19.333 19.000 0.034 0.000 1.206 56 A HN 0.720 nan 8.150 nan 0.000 0.482 57 Y N -1.268 119.179 120.300 0.245 0.000 2.982 57 Y HA -0.108 3.969 4.550 -0.788 0.000 0.192 57 Y C 0.852 176.898 175.900 0.243 0.000 1.397 57 Y CA 0.915 59.178 58.100 0.271 0.000 0.844 57 Y CB -1.499 36.971 38.460 0.017 0.000 1.290 57 Y HN 1.084 nan 8.280 nan 0.000 0.408 58 A N 0.668 123.767 122.820 0.464 0.000 2.387 58 A HA 0.915 4.760 4.320 -0.792 0.000 0.303 58 A C 0.285 177.842 177.584 -0.045 0.000 1.145 58 A CA -0.132 51.946 52.037 0.067 0.000 0.801 58 A CB 1.090 20.014 19.000 -0.126 0.000 1.342 58 A HN 0.486 nan 8.150 nan 0.000 0.440 59 T N -2.494 112.024 114.554 -0.061 0.000 2.927 59 T HA 0.438 4.313 4.350 -0.792 0.000 0.281 59 T C 1.048 175.665 174.700 -0.138 0.000 0.998 59 T CA 0.352 62.412 62.100 -0.067 0.000 1.019 59 T CB 0.857 69.713 68.868 -0.019 0.000 1.061 59 T HN 0.462 nan 8.240 nan 0.000 0.518 60 T N 1.284 115.768 114.554 -0.118 0.000 2.699 60 T HA -0.107 3.768 4.350 -0.792 0.000 0.268 60 T C 2.334 176.981 174.700 -0.087 0.000 1.036 60 T CA 1.655 63.682 62.100 -0.122 0.000 1.147 60 T CB -0.849 67.971 68.868 -0.081 0.000 0.862 60 T HN 0.801 nan 8.240 nan 0.000 0.446 61 A N 1.780 124.569 122.820 -0.052 0.000 1.858 61 A HA -0.156 3.689 4.320 -0.792 0.000 0.216 61 A C 2.683 180.264 177.584 -0.005 0.000 1.190 61 A CA 2.568 54.590 52.037 -0.025 0.000 0.617 61 A CB -1.488 17.505 19.000 -0.012 0.000 0.827 61 A HN 0.635 nan 8.150 nan 0.000 0.443 62 T N -1.131 113.429 114.554 0.010 0.000 2.720 62 T HA -0.138 3.737 4.350 -0.792 0.000 0.268 62 T C 1.820 176.503 174.700 -0.028 0.000 1.037 62 T CA 1.626 63.758 62.100 0.052 0.000 1.144 62 T CB -0.715 68.243 68.868 0.152 0.000 0.864 62 T HN 0.299 nan 8.240 nan 0.000 0.444 63 L N 0.837 121.993 121.223 -0.111 0.000 2.131 63 L HA 0.001 3.866 4.340 -0.792 0.000 0.210 63 L C 3.321 180.127 176.870 -0.107 0.000 1.092 63 L CA 1.294 56.041 54.840 -0.155 0.000 0.759 63 L CB -0.747 41.159 42.059 -0.256 0.000 0.903 63 L HN 0.450 nan 8.230 nan 0.000 0.435 64 A N -0.413 122.358 122.820 -0.082 0.000 1.898 64 A HA -0.214 3.631 4.320 -0.792 0.000 0.214 64 A C 1.960 179.510 177.584 -0.057 0.000 1.183 64 A CA 1.672 53.670 52.037 -0.066 0.000 0.622 64 A CB -0.445 18.524 19.000 -0.053 0.000 0.824 64 A HN 0.366 nan 8.150 nan 0.000 0.444 65 D N -0.218 120.166 120.400 -0.027 0.000 2.117 65 D HA -0.050 4.115 4.640 -0.792 0.000 0.198 65 D C 1.691 177.948 176.300 -0.073 0.000 0.982 65 D CA 0.935 54.931 54.000 -0.006 0.000 0.828 65 D CB -0.111 40.749 40.800 0.102 0.000 0.967 65 D HN 0.372 nan 8.370 nan 0.000 0.464 66 L N -0.426 120.723 121.223 -0.125 0.000 2.492 66 L HA 0.050 3.915 4.340 -0.792 0.000 0.223 66 L C 0.522 177.290 176.870 -0.170 0.000 1.132 66 L CA 0.167 54.871 54.840 -0.227 0.000 0.850 66 L CB -0.428 41.453 42.059 -0.298 0.000 0.966 66 L HN 0.117 nan 8.230 nan 0.000 0.454 67 N N 0.495 119.119 118.700 -0.127 0.000 2.738 67 N HA -0.170 4.095 4.740 -0.792 0.000 0.249 67 N C -0.529 174.927 175.510 -0.089 0.000 1.047 67 N CA 0.707 53.690 53.050 -0.111 0.000 0.707 67 N CB -1.081 37.325 38.487 -0.135 0.000 0.937 67 N HN 0.212 nan 8.380 nan 0.000 0.545 68 V N -1.220 118.653 119.914 -0.068 0.000 2.427 68 V HA 0.733 4.378 4.120 -0.792 0.000 0.286 68 V C -1.151 174.943 176.094 -0.000 0.000 1.034 68 V CA -1.015 61.279 62.300 -0.009 0.000 0.893 68 V CB 1.816 33.640 31.823 0.002 0.000 0.982 68 V HN 0.143 nan 8.190 nan 0.000 0.452 69 P HA 0.257 nan 4.420 nan 0.000 0.261 69 P C -0.080 177.260 177.300 0.067 0.000 1.268 69 P CA 0.182 63.310 63.100 0.047 0.000 0.833 69 P CB 0.719 32.460 31.700 0.068 0.000 1.231 70 L N 0.595 121.863 121.223 0.074 0.000 2.385 70 L HA 0.487 4.352 4.340 -0.792 0.000 0.273 70 L C -1.387 175.571 176.870 0.147 0.000 0.990 70 L CA -0.755 54.138 54.840 0.089 0.000 0.821 70 L CB 2.234 44.309 42.059 0.027 0.000 1.279 70 L HN -0.058 nan 8.230 nan 0.000 0.412 71 H N 4.468 123.564 119.070 0.043 0.000 2.658 71 H HA 0.413 4.494 4.556 -0.792 0.000 0.337 71 H C -1.078 174.390 175.328 0.233 0.000 1.009 71 H CA -0.504 55.593 56.048 0.081 0.000 1.231 71 H CB 1.396 31.126 29.762 -0.053 0.000 1.508 71 H HN 0.551 nan 8.280 nan 0.000 0.517 72 R N 4.747 125.308 120.500 0.102 0.000 2.338 72 R HA 0.260 4.125 4.340 -0.792 0.000 0.317 72 R C -1.469 174.598 176.300 -0.388 0.000 0.968 72 R CA -0.852 55.204 56.100 -0.073 0.000 0.849 72 R CB 0.656 30.934 30.300 -0.037 0.000 1.128 72 R HN 0.679 nan 8.270 nan 0.000 0.448 73 Y N 4.630 124.453 120.300 -0.795 0.000 2.491 73 Y HA 0.568 4.642 4.550 -0.793 0.000 0.334 73 Y C -0.570 175.078 175.900 -0.419 0.000 0.969 73 Y CA -0.077 57.350 58.100 -1.121 0.000 1.241 73 Y CB 0.931 38.372 38.460 -1.698 0.000 1.105 73 Y HN 0.806 nan 8.280 nan 0.000 0.503 74 G N 2.153 110.610 108.800 -0.572 0.000 2.682 74 G HA2 0.651 4.136 3.960 -0.792 0.000 0.303 74 G HA3 0.651 4.136 3.960 -0.792 0.000 0.303 74 G C -0.690 174.252 174.900 0.070 0.000 1.341 74 G CA -0.469 44.452 45.100 -0.297 0.000 0.784 74 G HN 1.327 nan 8.290 nan 0.000 0.497 75 G N -1.159 107.662 108.800 0.035 0.000 2.381 75 G HA2 0.112 3.597 3.960 -0.792 0.000 0.672 75 G HA3 0.112 3.597 3.960 -0.792 0.000 0.672 75 G C 0.402 175.356 174.900 0.090 0.000 1.324 75 G CA 0.376 45.489 45.100 0.022 0.000 0.975 75 G HN 0.806 nan 8.290 nan 0.000 0.593 76 N N 0.994 119.740 118.700 0.078 0.000 2.037 76 N HA -0.186 4.079 4.740 -0.792 0.000 0.196 76 N C 2.245 177.933 175.510 0.297 0.000 1.034 76 N CA 2.007 55.165 53.050 0.179 0.000 0.861 76 N CB -0.485 38.021 38.487 0.032 0.000 1.039 76 N HN 0.807 nan 8.380 nan 0.000 0.427 77 N N 0.785 119.620 118.700 0.224 0.000 2.309 77 N HA -0.116 4.149 4.740 -0.792 0.000 0.182 77 N C 1.359 177.018 175.510 0.249 0.000 1.018 77 N CA 1.712 54.910 53.050 0.246 0.000 0.876 77 N CB -0.964 37.643 38.487 0.200 0.000 0.972 77 N HN 0.378 nan 8.380 nan 0.000 0.434 78 T N -2.814 111.850 114.554 0.184 0.000 3.051 78 T HA 0.067 3.942 4.350 -0.792 0.000 0.269 78 T C 1.737 176.570 174.700 0.221 0.000 1.127 78 T CA 0.859 63.050 62.100 0.152 0.000 1.107 78 T CB -0.380 68.347 68.868 -0.235 0.000 0.898 78 T HN 0.116 nan 8.240 nan 0.000 0.517 79 S N 1.174 116.979 115.700 0.174 0.000 2.461 79 S HA 0.122 4.117 4.470 -0.792 0.000 0.228 79 S C 1.612 176.215 174.600 0.006 0.000 1.005 79 S CA 0.190 58.434 58.200 0.075 0.000 0.942 79 S CB -0.033 63.128 63.200 -0.064 0.000 0.776 79 S HN 0.445 nan 8.310 nan 0.000 0.514 80 R N 0.340 120.893 120.500 0.089 0.000 2.546 80 R HA 0.242 4.107 4.340 -0.792 0.000 0.320 80 R C -0.721 175.707 176.300 0.212 0.000 1.021 80 R CA -0.277 55.884 56.100 0.101 0.000 1.088 80 R CB -0.451 29.915 30.300 0.110 0.000 1.278 80 R HN 0.379 nan 8.270 nan 0.000 0.557 81 Y N 2.238 122.637 120.300 0.165 0.000 2.359 81 Y HA 0.180 4.253 4.550 -0.794 0.000 0.334 81 Y C 0.009 176.002 175.900 0.155 0.000 1.058 81 Y CA -0.986 57.221 58.100 0.180 0.000 1.244 81 Y CB 0.463 39.087 38.460 0.273 0.000 1.187 81 Y HN -0.103 nan 8.280 nan 0.000 0.510 82 N N 7.717 126.126 118.700 -0.484 0.000 2.485 82 N HA 0.010 4.275 4.740 -0.792 0.000 0.243 82 N C 0.735 175.723 175.510 -0.870 0.000 0.987 82 N CA -0.533 52.288 53.050 -0.381 0.000 0.940 82 N CB 0.258 38.628 38.487 -0.195 0.000 1.122 82 N HN 0.985 nan 8.380 nan 0.000 0.509 83 W N 4.564 125.284 121.300 -0.967 0.000 2.467 83 W HA -0.030 4.155 4.660 -0.793 0.000 0.275 83 W C 0.420 176.586 176.519 -0.588 0.000 1.239 83 W CA 0.396 57.080 57.345 -1.102 0.000 1.266 83 W CB -0.289 28.269 29.460 -1.503 0.000 1.112 83 W HN 0.552 nan 8.180 nan 0.000 0.576 84 Q N 0.319 119.371 119.800 -1.246 0.000 2.245 84 Q HA -0.095 3.770 4.340 -0.792 0.000 0.201 84 Q C 2.080 177.765 176.000 -0.526 0.000 0.955 84 Q CA 1.017 56.156 55.803 -1.106 0.000 0.870 84 Q CB -0.054 28.110 28.738 -0.956 0.000 0.945 84 Q HN 0.230 nan 8.270 nan 0.000 0.461 85 L N 0.218 121.214 121.223 -0.377 0.000 2.463 85 L HA 0.085 3.950 4.340 -0.792 0.000 0.219 85 L C 0.488 177.260 176.870 -0.163 0.000 1.088 85 L CA 0.604 55.313 54.840 -0.217 0.000 0.849 85 L CB -0.342 41.629 42.059 -0.147 0.000 1.012 85 L HN 0.295 nan 8.230 nan 0.000 0.468 86 N N -0.153 118.410 118.700 -0.228 0.000 2.753 86 N HA -0.140 4.125 4.740 -0.792 0.000 0.252 86 N C -0.448 175.121 175.510 0.099 0.000 1.071 86 N CA 0.378 53.420 53.050 -0.012 0.000 0.690 86 N CB -0.592 37.931 38.487 0.061 0.000 0.906 86 N HN 0.353 nan 8.380 nan 0.000 0.552 87 A N 0.780 123.615 122.820 0.025 0.000 2.601 87 A HA 0.679 4.524 4.320 -0.792 0.000 0.291 87 A C -1.522 176.174 177.584 0.187 0.000 1.075 87 A CA -0.091 52.030 52.037 0.140 0.000 0.671 87 A CB 1.614 20.651 19.000 0.062 0.000 1.277 87 A HN 0.535 nan 8.150 nan 0.000 0.417 88 D N -0.013 120.530 120.400 0.239 0.000 2.664 88 D HA 0.415 4.580 4.640 -0.792 0.000 0.292 88 D C -1.126 175.295 176.300 0.202 0.000 1.214 88 D CA -0.541 53.611 54.000 0.253 0.000 0.932 88 D CB 0.908 41.932 40.800 0.374 0.000 1.420 88 D HN 0.392 nan 8.370 nan 0.000 0.471 89 N N -0.501 118.321 118.700 0.202 0.000 2.342 89 N HA 0.162 4.427 4.740 -0.792 0.000 0.293 89 N C 0.339 175.975 175.510 0.210 0.000 1.026 89 N CA -0.464 52.706 53.050 0.199 0.000 0.857 89 N CB 1.469 40.071 38.487 0.192 0.000 1.256 89 N HN 0.280 nan 8.380 nan 0.000 0.484 90 R N 2.537 123.149 120.500 0.187 0.000 2.280 90 R HA 0.105 3.970 4.340 -0.792 0.000 0.207 90 R C 1.340 177.656 176.300 0.027 0.000 1.043 90 R CA 0.626 56.812 56.100 0.143 0.000 1.006 90 R CB -1.328 29.093 30.300 0.203 0.000 0.885 90 R HN 0.864 nan 8.270 nan 0.000 0.467 91 G N 0.581 109.388 108.800 0.011 0.000 2.564 91 G HA2 -0.379 3.106 3.960 -0.792 0.000 0.273 91 G HA3 -0.379 3.106 3.960 -0.792 0.000 0.273 91 G C 0.938 175.245 174.900 -0.988 0.000 1.242 91 G CA 0.850 45.825 45.100 -0.209 0.000 0.951 91 G HN 0.368 nan 8.290 nan 0.000 0.564 92 A N -1.056 121.173 122.820 -0.985 0.000 2.070 92 A HA 0.056 3.901 4.320 -0.792 0.000 0.220 92 A C 1.973 179.187 177.584 -0.616 0.000 1.159 92 A CA 2.340 53.765 52.037 -1.020 0.000 0.656 92 A CB -0.429 18.313 19.000 -0.430 0.000 0.800 92 A HN 0.656 nan 8.150 nan 0.000 0.453 93 D N -2.016 118.157 120.400 -0.379 0.000 2.178 93 D HA -0.097 4.068 4.640 -0.792 0.000 0.202 93 D C 0.436 176.726 176.300 -0.017 0.000 0.974 93 D CA 0.891 54.801 54.000 -0.150 0.000 0.841 93 D CB 0.027 40.808 40.800 -0.033 0.000 0.953 93 D HN 0.721 nan 8.370 nan 0.000 0.478 94 W N 0.442 121.535 121.300 -0.345 0.000 1.982 94 W HA 0.095 4.412 4.660 -0.572 0.000 0.299 94 W C -0.784 175.667 176.519 -0.115 0.000 1.011 94 W CA -0.593 56.619 57.345 -0.221 0.000 1.324 94 W CB -0.055 29.403 29.460 -0.004 0.000 1.372 94 W HN -0.042 nan 8.180 nan 0.000 0.323 95 Y N 2.806 122.870 120.300 -0.393 0.000 3.305 95 Y HA -0.340 4.206 4.550 -0.006 0.000 0.214 95 Y C 0.774 176.751 175.900 0.128 0.000 1.185 95 Y CA 1.516 59.523 58.100 -0.156 0.000 1.326 95 Y CB -2.742 35.543 38.460 -0.291 0.000 1.367 95 Y HN 0.335 nan 8.280 nan 0.000 0.588 96 F N -1.486 118.520 119.950 0.094 0.000 2.861 96 F HA -0.294 3.744 4.527 -0.815 0.000 0.230 96 F C 0.727 176.576 175.800 0.082 0.000 1.020 96 F CA 0.863 58.923 58.000 0.099 0.000 0.852 96 F CB -1.338 37.716 39.000 0.090 0.000 0.724 96 F HN 0.347 nan 8.300 nan 0.000 0.843 97 E N -0.515 119.831 120.200 0.244 0.000 2.216 97 E HA 0.472 4.347 4.350 -0.792 0.000 0.279 97 E C -0.035 176.708 176.600 0.238 0.000 0.997 97 E CA -0.693 55.849 56.400 0.236 0.000 0.817 97 E CB 1.294 31.199 29.700 0.342 0.000 1.096 97 E HN 0.122 nan 8.360 nan 0.000 0.393 98 S N 2.971 118.803 115.700 0.220 0.000 2.410 98 S HA 0.372 4.367 4.470 -0.792 0.000 0.304 98 S C -0.255 174.464 174.600 0.198 0.000 1.095 98 S CA -0.448 57.864 58.200 0.187 0.000 1.089 98 S CB 0.038 63.326 63.200 0.147 0.000 0.968 98 S HN 0.311 nan 8.310 nan 0.000 0.480 99 I N 2.435 123.111 120.570 0.175 0.000 2.465 99 I HA 0.499 4.194 4.170 -0.792 0.000 0.291 99 I C 0.723 176.909 176.117 0.116 0.000 1.014 99 I CA -0.836 60.552 61.300 0.146 0.000 1.093 99 I CB 2.022 40.104 38.000 0.136 0.000 1.267 99 I HN 0.620 nan 8.210 nan 0.000 0.431 100 G N 4.098 112.950 108.800 0.086 0.000 2.425 100 G HA2 0.407 3.892 3.960 -0.792 0.000 0.302 100 G HA3 0.407 3.892 3.960 -0.792 0.000 0.302 100 G C -0.359 174.583 174.900 0.070 0.000 1.159 100 G CA -0.370 44.775 45.100 0.075 0.000 0.865 100 G HN 0.516 nan 8.290 nan 0.000 0.515 101 E N 0.071 120.323 120.200 0.086 0.000 2.371 101 E HA 0.273 4.148 4.350 -0.792 0.000 0.257 101 E C 1.491 178.121 176.600 0.050 0.000 1.134 101 E CA 0.032 56.478 56.400 0.077 0.000 0.919 101 E CB 1.458 31.224 29.700 0.110 0.000 1.025 101 E HN 0.391 nan 8.360 nan 0.000 0.438 102 A N 1.995 124.839 122.820 0.039 0.000 1.883 102 A HA -0.141 3.704 4.320 -0.792 0.000 0.217 102 A C 1.465 179.068 177.584 0.031 0.000 1.186 102 A CA 1.548 53.601 52.037 0.027 0.000 0.624 102 A CB -0.285 18.728 19.000 0.023 0.000 0.822 102 A HN 0.441 nan 8.150 nan 0.000 0.444 103 S N -0.982 114.744 115.700 0.044 0.000 2.576 103 S HA 0.266 4.261 4.470 -0.792 0.000 0.276 103 S C 0.916 175.536 174.600 0.033 0.000 1.339 103 S CA 0.314 58.539 58.200 0.043 0.000 1.039 103 S CB 1.044 64.281 63.200 0.062 0.000 0.902 103 S HN 0.389 nan 8.310 nan 0.000 0.516 104 S N 2.770 118.479 115.700 0.016 0.000 2.539 104 S HA 0.235 4.230 4.470 -0.792 0.000 0.221 104 S C -0.202 174.383 174.600 -0.026 0.000 0.987 104 S CA -0.440 57.754 58.200 -0.009 0.000 0.929 104 S CB -0.035 63.156 63.200 -0.015 0.000 0.832 104 S HN 0.574 nan 8.310 nan 0.000 0.492 105 V N 3.360 123.276 119.914 0.002 0.000 2.470 105 V HA 0.436 4.081 4.120 -0.792 0.000 0.276 105 V C 0.814 176.897 176.094 -0.017 0.000 1.040 105 V CA -0.569 61.731 62.300 -0.001 0.000 1.008 105 V CB 0.085 31.936 31.823 0.046 0.000 0.990 105 V HN 0.501 nan 8.190 nan 0.000 0.477 106 A N 4.677 127.429 122.820 -0.113 0.000 2.580 106 A HA 0.425 4.270 4.320 -0.792 0.000 0.244 106 A C 1.641 179.214 177.584 -0.017 0.000 1.045 106 A CA 0.654 52.567 52.037 -0.207 0.000 0.761 106 A CB -0.707 18.013 19.000 -0.468 0.000 0.962 106 A HN 2.228 nan 8.150 nan 0.000 0.512 107 G N 2.368 111.243 108.800 0.126 0.000 2.168 107 G HA2 -0.346 3.139 3.960 -0.792 0.000 0.263 107 G HA3 -0.346 3.139 3.960 -0.792 0.000 0.263 107 G C 0.638 175.795 174.900 0.427 0.000 0.977 107 G CA 1.417 46.735 45.100 0.363 0.000 0.659 107 G HN 1.485 nan 8.290 nan 0.000 0.533 108 E N 0.750 121.123 120.200 0.290 0.000 2.160 108 E HA -0.164 3.711 4.350 -0.792 0.000 0.195 108 E C 2.142 178.892 176.600 0.251 0.000 0.991 108 E CA 1.560 58.124 56.400 0.272 0.000 0.810 108 E CB -0.443 29.367 29.700 0.183 0.000 0.742 108 E HN 0.663 nan 8.360 nan 0.000 0.466 109 R N 0.602 121.226 120.500 0.206 0.000 2.083 109 R HA -0.117 3.748 4.340 -0.792 0.000 0.237 109 R C 2.402 178.726 176.300 0.040 0.000 1.137 109 R CA 1.998 58.137 56.100 0.065 0.000 0.951 109 R CB -0.923 29.300 30.300 -0.129 0.000 0.851 109 R HN 0.379 nan 8.270 nan 0.000 0.434 110 G N 0.384 109.283 108.800 0.165 0.000 2.402 110 G HA2 -0.224 3.261 3.960 -0.792 0.000 0.216 110 G HA3 -0.224 3.261 3.960 -0.792 0.000 0.216 110 G C 0.885 175.967 174.900 0.303 0.000 1.162 110 G CA 0.883 46.113 45.100 0.217 0.000 0.777 110 G HN 0.359 nan 8.290 nan 0.000 0.539 111 D N 0.255 120.937 120.400 0.470 0.000 2.144 111 D HA -0.046 4.119 4.640 -0.792 0.000 0.200 111 D C 2.648 179.211 176.300 0.438 0.000 0.978 111 D CA 1.197 55.572 54.000 0.624 0.000 0.833 111 D CB -0.465 40.733 40.800 0.663 0.000 0.961 111 D HN 0.197 nan 8.370 nan 0.000 0.470 112 T N 0.379 115.113 114.554 0.300 0.000 2.821 112 T HA -0.107 3.767 4.350 -0.792 0.000 0.267 112 T C 1.666 176.448 174.700 0.137 0.000 1.046 112 T CA 0.422 62.646 62.100 0.207 0.000 1.139 112 T CB -0.338 68.632 68.868 0.169 0.000 0.871 112 T HN 0.104 nan 8.240 nan 0.000 0.454 113 F N 1.493 121.436 119.950 -0.012 0.000 2.134 113 F HA 0.006 4.058 4.527 -0.792 0.000 0.299 113 F C 1.937 177.671 175.800 -0.111 0.000 1.097 113 F CA 1.034 58.989 58.000 -0.074 0.000 1.264 113 F CB -0.286 38.590 39.000 -0.207 0.000 1.001 113 F HN 0.082 nan 8.300 nan 0.000 0.479 114 I N -0.060 120.477 120.570 -0.056 0.000 2.202 114 I HA -0.285 3.410 4.170 -0.792 0.000 0.242 114 I C 2.693 178.538 176.117 -0.452 0.000 1.091 114 I CA 1.119 62.182 61.300 -0.396 0.000 1.368 114 I CB -1.008 36.445 38.000 -0.911 0.000 1.058 114 I HN 0.207 nan 8.210 nan 0.000 0.410 115 A N 1.229 123.891 122.820 -0.264 0.000 1.908 115 A HA -0.232 3.613 4.320 -0.792 0.000 0.218 115 A C 2.031 179.569 177.584 -0.077 0.000 1.181 115 A CA 2.044 54.054 52.037 -0.045 0.000 0.627 115 A CB -0.707 18.425 19.000 0.221 0.000 0.818 115 A HN 0.425 nan 8.150 nan 0.000 0.445 116 N N 0.232 118.867 118.700 -0.109 0.000 2.244 116 N HA -0.077 4.188 4.740 -0.792 0.000 0.183 116 N C 1.934 177.330 175.510 -0.191 0.000 1.016 116 N CA 1.489 54.459 53.050 -0.133 0.000 0.866 116 N CB -0.415 37.985 38.487 -0.144 0.000 0.980 116 N HN 0.473 nan 8.380 nan 0.000 0.430 117 S N 1.405 116.956 115.700 -0.249 0.000 2.345 117 S HA -0.145 3.850 4.470 -0.792 0.000 0.220 117 S C 1.877 176.385 174.600 -0.153 0.000 1.031 117 S CA 1.023 59.096 58.200 -0.212 0.000 0.996 117 S CB -0.279 62.808 63.200 -0.189 0.000 0.882 117 S HN 0.585 nan 8.310 nan 0.000 0.445 118 Q N 1.102 120.810 119.800 -0.154 0.000 2.369 118 Q HA 0.193 4.058 4.340 -0.792 0.000 0.206 118 Q C 1.901 177.862 176.000 -0.064 0.000 0.963 118 Q CA 0.979 56.721 55.803 -0.101 0.000 0.894 118 Q CB -0.384 28.294 28.738 -0.101 0.000 0.965 118 Q HN 0.474 nan 8.270 nan 0.000 0.475 119 A N 1.206 123.985 122.820 -0.068 0.000 2.121 119 A HA 0.176 4.021 4.320 -0.792 0.000 0.218 119 A C 2.036 179.587 177.584 -0.054 0.000 1.154 119 A CA 1.186 53.197 52.037 -0.042 0.000 0.679 119 A CB -0.237 18.741 19.000 -0.036 0.000 0.795 119 A HN 0.492 nan 8.150 nan 0.000 0.458 120 A N -2.036 120.736 122.820 -0.080 0.000 2.470 120 A HA 0.476 4.321 4.320 -0.792 0.000 0.251 120 A C 1.473 179.016 177.584 -0.070 0.000 1.245 120 A CA 0.866 52.854 52.037 -0.082 0.000 0.932 120 A CB -0.638 18.291 19.000 -0.119 0.000 1.037 120 A HN 1.752 nan 8.150 nan 0.000 0.522 121 G N -1.069 107.696 108.800 -0.058 0.000 2.198 121 G HA2 0.110 3.595 3.960 -0.792 0.000 0.260 121 G HA3 0.110 3.595 3.960 -0.792 0.000 0.260 121 G C 0.302 175.179 174.900 -0.038 0.000 1.025 121 G CA 0.473 45.548 45.100 -0.042 0.000 0.769 121 G HN 1.672 nan 8.290 nan 0.000 0.507 122 A N -0.413 122.376 122.820 -0.052 0.000 2.337 122 A HA 0.791 4.636 4.320 -0.792 0.000 0.329 122 A C 0.248 177.830 177.584 -0.005 0.000 1.146 122 A CA -0.510 51.511 52.037 -0.026 0.000 0.800 122 A CB 0.960 19.929 19.000 -0.052 0.000 1.220 122 A HN 0.271 nan 8.150 nan 0.000 0.472 123 Q N 0.601 120.432 119.800 0.052 0.000 2.314 123 Q HA 0.486 4.351 4.340 -0.792 0.000 0.258 123 Q C 0.172 176.251 176.000 0.132 0.000 0.954 123 Q CA 0.156 56.011 55.803 0.086 0.000 0.890 123 Q CB 1.471 30.330 28.738 0.201 0.000 1.210 123 Q HN 0.798 nan 8.270 nan 0.000 0.410 124 A N 3.041 125.915 122.820 0.091 0.000 2.294 124 A HA 0.794 4.639 4.320 -0.792 0.000 0.330 124 A C -0.391 177.290 177.584 0.162 0.000 1.133 124 A CA -0.582 51.554 52.037 0.165 0.000 0.836 124 A CB 0.875 19.942 19.000 0.111 0.000 1.190 124 A HN 0.754 nan 8.150 nan 0.000 0.492 125 M N 2.241 121.925 119.600 0.141 0.000 2.204 125 M HA 0.385 4.390 4.480 -0.792 0.000 0.293 125 M C -1.370 174.873 176.300 -0.095 0.000 0.994 125 M CA -0.222 55.096 55.300 0.029 0.000 0.925 125 M CB 1.713 34.307 32.600 -0.010 0.000 1.577 125 M HN 0.387 nan 8.290 nan 0.000 0.439 126 I N 2.458 122.933 120.570 -0.158 0.000 2.378 126 I HA 0.320 4.015 4.170 -0.792 0.000 0.291 126 I C 0.193 176.285 176.117 -0.041 0.000 0.992 126 I CA -0.399 60.834 61.300 -0.111 0.000 1.154 126 I CB 1.738 39.527 38.000 -0.351 0.000 1.315 126 I HN 0.609 nan 8.210 nan 0.000 0.448 127 T N 7.322 121.908 114.554 0.055 0.000 2.794 127 T HA 0.487 4.362 4.350 -0.792 0.000 0.296 127 T C 0.401 175.246 174.700 0.242 0.000 0.949 127 T CA -0.078 62.051 62.100 0.049 0.000 1.101 127 T CB 0.590 69.390 68.868 -0.113 0.000 0.905 127 T HN 0.253 nan 8.240 nan 0.000 0.516 128 I N 6.004 126.712 120.570 0.230 0.000 2.339 128 I HA 0.286 3.981 4.170 -0.792 0.000 0.290 128 I C -2.196 174.108 176.117 0.311 0.000 0.994 128 I CA -2.795 58.727 61.300 0.370 0.000 1.191 128 I CB 1.868 40.036 38.000 0.279 0.000 1.343 128 I HN 0.299 nan 8.210 nan 0.000 0.458 129 P HA -0.020 nan 4.420 nan 0.000 0.264 129 P C 0.266 177.554 177.300 -0.021 0.000 1.183 129 P CA 0.402 63.628 63.100 0.210 0.000 0.763 129 P CB 0.811 32.672 31.700 0.267 0.000 0.807 130 T N 1.600 116.070 114.554 -0.140 0.000 2.966 130 T HA 0.153 4.028 4.350 -0.792 0.000 0.254 130 T C 1.435 176.027 174.700 -0.179 0.000 0.961 130 T CA -0.177 61.624 62.100 -0.498 0.000 0.915 130 T CB -0.346 68.350 68.868 -0.287 0.000 1.186 130 T HN 0.263 nan 8.240 nan 0.000 0.505 131 I N 0.664 121.099 120.570 -0.224 0.000 2.530 131 I HA -0.000 3.695 4.170 -0.792 0.000 0.257 131 I C 1.821 177.786 176.117 -0.253 0.000 1.179 131 I CA 1.602 62.510 61.300 -0.653 0.000 1.440 131 I CB -0.215 37.123 38.000 -1.102 0.000 1.087 131 I HN 0.546 nan 8.210 nan 0.000 0.440 132 G N -0.043 108.683 108.800 -0.123 0.000 2.579 132 G HA2 -0.339 3.146 3.960 -0.792 0.000 0.222 132 G HA3 -0.339 3.146 3.960 -0.792 0.000 0.222 132 G C -0.041 174.712 174.900 -0.245 0.000 1.201 132 G CA 0.145 45.159 45.100 -0.144 0.000 0.710 132 G HN 0.389 nan 8.290 nan 0.000 0.516 133 W N 2.532 123.750 121.300 -0.136 0.000 2.422 133 W HA 0.561 4.749 4.660 -0.787 0.000 0.349 133 W C 0.785 177.228 176.519 -0.126 0.000 1.062 133 W CA -0.192 57.077 57.345 -0.127 0.000 1.497 133 W CB 0.804 30.197 29.460 -0.112 0.000 1.407 133 W HN 0.538 nan 8.180 nan 0.000 0.393 134 V N 0.966 120.918 119.914 0.064 0.000 2.975 134 V HA 0.880 4.525 4.120 -0.792 0.000 0.318 134 V C 0.494 176.621 176.094 0.055 0.000 1.077 134 V CA -1.651 60.672 62.300 0.038 0.000 1.000 134 V CB 0.822 32.634 31.823 -0.018 0.000 1.066 134 V HN 0.459 nan 8.190 nan 0.000 0.452 135 A N 2.526 125.379 122.820 0.056 0.000 2.425 135 A HA 0.664 4.509 4.320 -0.792 0.000 0.242 135 A C 0.400 177.996 177.584 0.019 0.000 1.077 135 A CA 0.007 52.081 52.037 0.061 0.000 0.781 135 A CB 0.095 19.148 19.000 0.088 0.000 1.020 135 A HN 1.280 nan 8.150 nan 0.000 0.494 136 R N 0.790 121.313 120.500 0.037 0.000 2.808 136 R HA 0.818 4.683 4.340 -0.792 0.000 0.272 136 R C -1.732 174.592 176.300 0.040 0.000 0.995 136 R CA -0.860 55.251 56.100 0.017 0.000 0.917 136 R CB 1.037 31.348 30.300 0.018 0.000 1.217 136 R HN 0.528 nan 8.270 nan 0.000 0.471 137 L N 0.409 121.649 121.223 0.028 0.000 2.286 137 L HA 0.666 4.531 4.340 -0.792 0.000 0.265 137 L C 0.652 177.545 176.870 0.038 0.000 1.012 137 L CA -1.109 53.757 54.840 0.043 0.000 0.818 137 L CB 2.104 44.182 42.059 0.032 0.000 1.337 137 L HN 0.953 nan 8.230 nan 0.000 0.438 138 G N -0.430 108.399 108.800 0.047 0.000 2.532 138 G HA2 0.552 4.037 3.960 -0.792 0.000 0.291 138 G HA3 0.552 4.037 3.960 -0.792 0.000 0.291 138 G C -0.383 174.529 174.900 0.019 0.000 1.349 138 G CA -0.335 44.787 45.100 0.037 0.000 1.038 138 G HN 0.775 nan 8.290 nan 0.000 0.518 139 A N -0.660 122.168 122.820 0.013 0.000 2.584 139 A HA 0.239 4.084 4.320 -0.792 0.000 0.239 139 A C 0.848 178.433 177.584 0.001 0.000 1.043 139 A CA 0.825 52.865 52.037 0.005 0.000 0.756 139 A CB -0.720 18.282 19.000 0.003 0.000 0.963 139 A HN 1.165 nan 8.150 nan 0.000 0.511 140 N N 0.640 119.339 118.700 -0.002 0.000 2.714 140 N HA -0.207 4.058 4.740 -0.792 0.000 0.253 140 N C 0.037 175.546 175.510 -0.002 0.000 1.024 140 N CA 1.114 54.162 53.050 -0.004 0.000 0.726 140 N CB -1.199 37.285 38.487 -0.005 0.000 0.908 140 N HN 0.803 nan 8.380 nan 0.000 0.542 141 R N -2.702 117.799 120.500 0.001 0.000 3.405 141 R HA -0.230 3.635 4.340 -0.792 0.000 0.258 141 R C -0.263 176.045 176.300 0.014 0.000 1.030 141 R CA 1.022 57.127 56.100 0.008 0.000 0.691 141 R CB -2.335 27.968 30.300 0.005 0.000 1.093 141 R HN 0.646 nan 8.270 nan 0.000 0.448 142 S N -0.225 115.482 115.700 0.013 0.000 2.601 142 S HA 0.371 4.366 4.470 -0.792 0.000 0.271 142 S C 0.375 175.000 174.600 0.043 0.000 1.305 142 S CA -1.021 57.181 58.200 0.005 0.000 1.022 142 S CB 1.874 65.065 63.200 -0.015 0.000 0.940 142 S HN 0.185 nan 8.310 nan 0.000 0.525 143 K N 0.941 121.367 120.400 0.042 0.000 2.319 143 K HA 0.378 4.223 4.320 -0.792 0.000 0.265 143 K C -0.552 176.242 176.600 0.323 0.000 1.000 143 K CA -0.020 56.379 56.287 0.186 0.000 0.943 143 K CB 0.160 32.802 32.500 0.237 0.000 0.950 143 K HN 0.517 nan 8.250 nan 0.000 0.485 144 L N 0.561 122.025 121.223 0.402 0.000 2.350 144 L HA 0.663 4.528 4.340 -0.792 0.000 0.260 144 L C -0.890 176.124 176.870 0.240 0.000 1.015 144 L CA -1.102 53.943 54.840 0.341 0.000 0.821 144 L CB 2.206 44.371 42.059 0.177 0.000 1.370 144 L HN 0.708 nan 8.230 nan 0.000 0.416 145 A N 0.331 123.191 122.820 0.067 0.000 2.414 145 A HA 0.606 4.451 4.320 -0.792 0.000 0.306 145 A C 0.234 177.784 177.584 -0.058 0.000 1.054 145 A CA -0.376 51.602 52.037 -0.099 0.000 0.724 145 A CB 1.785 20.524 19.000 -0.435 0.000 1.267 145 A HN 0.671 nan 8.150 nan 0.000 0.418 146 S N 0.485 116.117 115.700 -0.114 0.000 2.406 146 S HA 0.065 4.060 4.470 -0.792 0.000 0.228 146 S C 0.025 174.279 174.600 -0.577 0.000 1.020 146 S CA 1.278 59.236 58.200 -0.404 0.000 0.965 146 S CB -0.289 62.513 63.200 -0.663 0.000 0.798 146 S HN 0.592 nan 8.310 nan 0.000 0.488 147 F N 1.895 121.810 119.950 -0.058 0.000 2.532 147 F HA 0.358 4.403 4.527 -0.803 0.000 0.313 147 F C 0.570 176.448 175.800 0.131 0.000 1.301 147 F CA -0.644 57.334 58.000 -0.035 0.000 1.154 147 F CB 0.518 39.414 39.000 -0.173 0.000 1.335 147 F HN -0.073 nan 8.300 nan 0.000 0.542 148 S N 1.300 117.197 115.700 0.328 0.000 2.546 148 S HA 0.077 4.072 4.470 -0.792 0.000 0.290 148 S C 1.618 176.337 174.600 0.199 0.000 1.262 148 S CA -0.285 58.020 58.200 0.175 0.000 1.083 148 S CB 0.260 63.508 63.200 0.079 0.000 0.859 148 S HN 0.547 nan 8.310 nan 0.000 0.495 149 I N 4.903 125.548 120.570 0.124 0.000 2.286 149 I HA -0.172 3.523 4.170 -0.792 0.000 0.248 149 I C 2.590 178.738 176.117 0.051 0.000 1.115 149 I CA 1.388 62.748 61.300 0.099 0.000 1.392 149 I CB -0.645 37.395 38.000 0.065 0.000 1.065 149 I HN 0.829 nan 8.210 nan 0.000 0.418 150 A N 0.545 123.381 122.820 0.026 0.000 1.972 150 A HA -0.253 3.592 4.320 -0.792 0.000 0.219 150 A C 2.362 179.897 177.584 -0.081 0.000 1.169 150 A CA 1.857 53.887 52.037 -0.012 0.000 0.635 150 A CB -0.399 18.602 19.000 0.000 0.000 0.810 150 A HN 0.391 nan 8.150 nan 0.000 0.446 151 K N -2.424 117.878 120.400 -0.163 0.000 2.314 151 K HA 0.043 3.888 4.320 -0.792 0.000 0.198 151 K C 0.703 176.931 176.600 -0.621 0.000 1.045 151 K CA 0.761 56.790 56.287 -0.431 0.000 0.988 151 K CB 0.006 32.123 32.500 -0.639 0.000 0.783 151 K HN 0.574 nan 8.250 nan 0.000 0.484 152 Y N -0.608 119.706 120.300 0.024 0.000 2.527 152 Y HA 0.308 4.378 4.550 -0.800 0.000 0.247 152 Y C 0.595 176.501 175.900 0.009 0.000 1.138 152 Y CA -0.097 58.018 58.100 0.024 0.000 1.228 152 Y CB 1.796 40.293 38.460 0.062 0.000 1.252 152 Y HN 0.190 nan 8.280 nan 0.000 0.531 153 G N 0.996 109.855 108.800 0.098 0.000 2.592 153 G HA2 0.110 3.595 3.960 -0.792 0.000 0.684 153 G HA3 0.110 3.595 3.960 -0.792 0.000 0.684 153 G C -0.506 174.426 174.900 0.053 0.000 1.291 153 G CA -0.900 44.235 45.100 0.058 0.000 0.891 153 G HN 0.499 nan 8.290 nan 0.000 0.544 154 A N -0.031 122.805 122.820 0.026 0.000 2.498 154 A HA 0.573 4.418 4.320 -0.792 0.000 0.239 154 A C 0.628 178.216 177.584 0.006 0.000 1.068 154 A CA 1.304 53.350 52.037 0.015 0.000 0.766 154 A CB 0.230 19.232 19.000 0.003 0.000 1.003 154 A HN 0.895 nan 8.150 nan 0.000 0.497 155 Q N 0.312 120.114 119.800 0.003 0.000 2.484 155 Q HA 0.407 4.272 4.340 -0.792 0.000 0.285 155 Q C 0.854 176.847 176.000 -0.012 0.000 1.097 155 Q CA -0.081 55.713 55.803 -0.016 0.000 0.802 155 Q CB 1.884 30.612 28.738 -0.017 0.000 1.444 155 Q HN 0.884 nan 8.270 nan 0.000 0.429 156 S N -1.030 114.655 115.700 -0.024 0.000 2.603 156 S HA 0.169 4.164 4.470 -0.792 0.000 0.229 156 S C 0.556 175.166 174.600 0.016 0.000 0.972 156 S CA 0.432 58.623 58.200 -0.015 0.000 0.935 156 S CB -0.006 63.175 63.200 -0.031 0.000 0.769 156 S HN 0.655 nan 8.310 nan 0.000 0.536 157 G N 0.868 109.697 108.800 0.049 0.000 2.698 157 G HA2 0.558 4.043 3.960 -0.792 0.000 0.293 157 G HA3 0.558 4.043 3.960 -0.792 0.000 0.293 157 G C -1.830 173.154 174.900 0.141 0.000 1.437 157 G CA -0.743 44.434 45.100 0.128 0.000 0.852 157 G HN 0.440 nan 8.290 nan 0.000 0.499 158 N N -0.272 118.460 118.700 0.053 0.000 3.127 158 N HA 0.205 4.470 4.740 -0.792 0.000 0.239 158 N C -1.993 172.997 175.510 -0.868 0.000 1.407 158 N CA -0.672 52.188 53.050 -0.317 0.000 0.891 158 N CB 1.999 40.424 38.487 -0.103 0.000 1.447 158 N HN 0.330 nan 8.380 nan 0.000 0.507 159 D N 1.635 121.323 120.400 -1.186 0.000 2.713 159 D HA 0.085 4.250 4.640 -0.792 0.000 0.229 159 D C 1.313 177.398 176.300 -0.357 0.000 1.136 159 D CA -0.710 52.717 54.000 -0.955 0.000 1.010 159 D CB -0.485 39.941 40.800 -0.623 0.000 1.084 159 D HN 0.556 nan 8.370 nan 0.000 0.495 160 W N 2.075 123.220 121.300 -0.259 0.000 2.364 160 W HA -0.205 3.881 4.660 -0.958 0.000 0.281 160 W C 1.224 177.652 176.519 -0.152 0.000 1.219 160 W CA 0.549 57.804 57.345 -0.150 0.000 1.220 160 W CB -0.705 28.674 29.460 -0.134 0.000 1.127 160 W HN 0.366 nan 8.180 nan 0.000 0.556 161 Q N -1.075 117.962 119.800 -1.273 0.000 2.302 161 Q HA -0.064 3.801 4.340 -0.792 0.000 0.202 161 Q C 1.714 177.153 176.000 -0.935 0.000 0.936 161 Q CA 1.280 56.227 55.803 -1.426 0.000 0.886 161 Q CB -0.144 27.134 28.738 -2.434 0.000 0.986 161 Q HN 0.253 nan 8.270 nan 0.000 0.487 162 W N -1.601 119.609 121.300 -0.150 0.000 2.592 162 W HA 0.290 4.460 4.660 -0.816 0.000 0.306 162 W C -0.288 176.299 176.519 0.113 0.000 0.991 162 W CA -0.329 57.018 57.345 0.005 0.000 1.430 162 W CB 0.972 30.479 29.460 0.077 0.000 1.017 162 W HN -0.015 nan 8.180 nan 0.000 0.557 163 F N 2.834 122.854 119.950 0.116 0.000 2.946 163 F HA 0.280 4.337 4.527 -0.784 0.000 0.399 163 F C -1.875 173.914 175.800 -0.019 0.000 1.269 163 F CA -2.710 55.336 58.000 0.078 0.000 1.165 163 F CB -0.054 39.028 39.000 0.137 0.000 2.380 163 F HN -0.357 nan 8.300 nan 0.000 0.589 164 P HA -0.208 nan 4.420 nan 0.000 0.218 164 P C 1.092 178.467 177.300 0.124 0.000 1.146 164 P CA 1.639 64.823 63.100 0.140 0.000 0.813 164 P CB 0.441 32.218 31.700 0.128 0.000 0.778 165 D N -0.014 120.529 120.400 0.239 0.000 2.323 165 D HA 0.046 4.211 4.640 -0.792 0.000 0.209 165 D C 0.556 176.836 176.300 -0.034 0.000 0.973 165 D CA 0.058 54.143 54.000 0.142 0.000 0.874 165 D CB -0.448 40.505 40.800 0.254 0.000 0.930 165 D HN 0.012 nan 8.370 nan 0.000 0.521 166 A N 0.391 123.050 122.820 -0.269 0.000 2.457 166 A HA 0.567 4.412 4.320 -0.792 0.000 0.298 166 A C 0.821 178.333 177.584 -0.120 0.000 1.288 166 A CA -0.004 51.800 52.037 -0.387 0.000 0.956 166 A CB -0.110 18.437 19.000 -0.755 0.000 1.135 166 A HN 0.248 nan 8.150 nan 0.000 0.535 167 G N 0.984 109.820 108.800 0.060 0.000 2.528 167 G HA2 0.331 3.816 3.960 -0.792 0.000 0.289 167 G HA3 0.331 3.816 3.960 -0.792 0.000 0.289 167 G C 0.607 175.684 174.900 0.296 0.000 1.192 167 G CA -0.222 44.959 45.100 0.135 0.000 0.921 167 G HN 0.902 nan 8.290 nan 0.000 0.512 168 N N -1.078 117.765 118.700 0.237 0.000 2.398 168 N HA 0.227 4.492 4.740 -0.792 0.000 0.188 168 N C 1.360 176.812 175.510 -0.097 0.000 1.122 168 N CA 0.347 53.514 53.050 0.196 0.000 0.866 168 N CB 0.343 38.880 38.487 0.084 0.000 0.970 168 N HN 0.979 nan 8.380 nan 0.000 0.462 169 G N -0.133 108.375 108.800 -0.487 0.000 2.143 169 G HA2 -0.244 3.241 3.960 -0.792 0.000 0.249 169 G HA3 -0.244 3.241 3.960 -0.792 0.000 0.249 169 G C -0.294 174.138 174.900 -0.781 0.000 0.981 169 G CA 0.266 44.487 45.100 -1.465 0.000 0.665 169 G HN 0.246 nan 8.290 nan 0.000 0.528 170 V N 1.624 121.310 119.914 -0.379 0.000 2.487 170 V HA 0.599 4.244 4.120 -0.792 0.000 0.298 170 V C 0.978 176.979 176.094 -0.156 0.000 1.028 170 V CA -1.019 61.136 62.300 -0.242 0.000 0.860 170 V CB 1.779 33.506 31.823 -0.160 0.000 0.991 170 V HN 0.328 nan 8.190 nan 0.000 0.427 171 L N 2.784 123.928 121.223 -0.132 0.000 2.476 171 L HA 0.192 4.057 4.340 -0.792 0.000 0.264 171 L C 1.842 178.675 176.870 -0.062 0.000 1.224 171 L CA -0.034 54.757 54.840 -0.081 0.000 0.821 171 L CB 0.284 42.302 42.059 -0.069 0.000 1.101 171 L HN 0.692 nan 8.230 nan 0.000 0.488 172 T N -1.033 113.495 114.554 -0.043 0.000 2.929 172 T HA -0.131 3.744 4.350 -0.792 0.000 0.271 172 T C 1.824 176.500 174.700 -0.040 0.000 1.085 172 T CA 1.485 63.563 62.100 -0.037 0.000 1.125 172 T CB -0.123 68.729 68.868 -0.027 0.000 0.874 172 T HN 0.827 nan 8.240 nan 0.000 0.494 173 S N 0.304 115.978 115.700 -0.044 0.000 2.481 173 S HA 0.246 4.241 4.470 -0.792 0.000 0.231 173 S C 1.957 176.527 174.600 -0.051 0.000 0.996 173 S CA 0.869 59.043 58.200 -0.044 0.000 0.942 173 S CB -0.268 62.906 63.200 -0.043 0.000 0.768 173 S HN 0.685 nan 8.310 nan 0.000 0.520 174 G N -0.348 108.416 108.800 -0.061 0.000 2.195 174 G HA2 -0.207 3.278 3.960 -0.792 0.000 0.224 174 G HA3 -0.207 3.278 3.960 -0.792 0.000 0.224 174 G C -0.104 174.747 174.900 -0.082 0.000 0.990 174 G CA -0.002 45.057 45.100 -0.068 0.000 0.639 174 G HN 0.580 nan 8.290 nan 0.000 0.514 175 Q N 1.071 120.822 119.800 -0.083 0.000 2.259 175 Q HA 0.581 4.446 4.340 -0.792 0.000 0.249 175 Q C 0.603 176.529 176.000 -0.124 0.000 0.914 175 Q CA -0.196 55.550 55.803 -0.094 0.000 0.904 175 Q CB 0.393 29.084 28.738 -0.079 0.000 1.213 175 Q HN 0.557 nan 8.270 nan 0.000 0.428 176 N N -0.048 118.567 118.700 -0.140 0.000 2.453 176 N HA 0.161 4.426 4.740 -0.792 0.000 0.253 176 N C -0.844 174.543 175.510 -0.205 0.000 1.252 176 N CA -0.460 52.469 53.050 -0.202 0.000 0.917 176 N CB 0.724 39.103 38.487 -0.181 0.000 1.117 176 N HN 0.256 nan 8.380 nan 0.000 0.442 177 V N 0.915 120.642 119.914 -0.311 0.000 2.686 177 V HA 0.082 3.727 4.120 -0.792 0.000 0.295 177 V C 1.173 177.164 176.094 -0.172 0.000 1.055 177 V CA 0.244 62.398 62.300 -0.244 0.000 1.050 177 V CB 1.283 32.890 31.823 -0.360 0.000 0.984 177 V HN 0.979 nan 8.190 nan 0.000 0.482 178 T N 0.794 115.285 114.554 -0.106 0.000 3.311 178 T HA 0.137 4.012 4.350 -0.792 0.000 0.239 178 T C 1.640 176.293 174.700 -0.078 0.000 0.976 178 T CA 0.617 62.671 62.100 -0.078 0.000 1.283 178 T CB -0.647 68.186 68.868 -0.059 0.000 1.113 178 T HN 0.730 nan 8.240 nan 0.000 0.392 179 G N 3.646 112.419 108.800 -0.045 0.000 3.194 179 G HA2 0.068 3.553 3.960 -0.792 0.000 0.208 179 G HA3 0.068 3.553 3.960 -0.792 0.000 0.208 179 G C 0.301 175.180 174.900 -0.035 0.000 1.240 179 G CA -0.172 44.912 45.100 -0.026 0.000 1.044 179 G HN 0.920 nan 8.290 nan 0.000 0.495 180 N N -0.206 118.384 118.700 -0.183 0.000 2.441 180 N HA -0.028 4.237 4.740 -0.792 0.000 0.251 180 N C 0.007 175.408 175.510 -0.182 0.000 1.242 180 N CA -0.477 52.379 53.050 -0.323 0.000 0.898 180 N CB 0.545 38.588 38.487 -0.740 0.000 1.100 180 N HN -0.053 nan 8.380 nan 0.000 0.443 181 N N 1.889 120.563 118.700 -0.044 0.000 2.406 181 N HA 0.153 4.418 4.740 -0.792 0.000 0.251 181 N C -1.623 173.736 175.510 -0.252 0.000 1.069 181 N CA -2.199 50.790 53.050 -0.101 0.000 0.947 181 N CB 0.765 39.251 38.487 -0.001 0.000 1.111 181 N HN 0.554 nan 8.380 nan 0.000 0.497 182 P HA -0.106 nan 4.420 nan 0.000 0.221 182 P C 0.131 177.153 177.300 -0.463 0.000 1.145 182 P CA 1.175 63.833 63.100 -0.736 0.000 0.795 182 P CB 0.387 31.174 31.700 -1.521 0.000 0.775 183 N N -0.317 118.270 118.700 -0.190 0.000 2.515 183 N HA -0.076 4.189 4.740 -0.792 0.000 0.185 183 N C 1.209 176.722 175.510 0.004 0.000 1.109 183 N CA 0.426 53.498 53.050 0.037 0.000 0.903 183 N CB -0.452 38.096 38.487 0.101 0.000 0.969 183 N HN 0.059 nan 8.380 nan 0.000 0.450 184 D N 0.583 120.951 120.400 -0.053 0.000 2.116 184 D HA -0.115 4.050 4.640 -0.792 0.000 0.193 184 D C 1.068 177.370 176.300 0.003 0.000 0.998 184 D CA 1.277 55.265 54.000 -0.020 0.000 0.836 184 D CB -0.032 40.748 40.800 -0.032 0.000 0.951 184 D HN 0.342 nan 8.370 nan 0.000 0.449 185 A N -0.763 122.047 122.820 -0.016 0.000 2.624 185 A HA 0.227 4.072 4.320 -0.792 0.000 0.287 185 A C 0.250 177.866 177.584 0.052 0.000 1.087 185 A CA -0.417 51.639 52.037 0.031 0.000 0.964 185 A CB 0.434 19.455 19.000 0.035 0.000 1.231 185 A HN 0.020 nan 8.150 nan 0.000 0.551 186 N N -1.148 117.593 118.700 0.068 0.000 2.774 186 N HA 0.489 4.754 4.740 -0.792 0.000 0.264 186 N C -1.418 174.237 175.510 0.243 0.000 1.415 186 N CA -0.190 52.955 53.050 0.158 0.000 0.815 186 N CB 1.859 40.475 38.487 0.215 0.000 1.514 186 N HN 0.034 nan 8.380 nan 0.000 0.523 187 T N 0.292 114.979 114.554 0.221 0.000 2.933 187 T HA 0.396 4.271 4.350 -0.792 0.000 0.305 187 T C -1.131 173.437 174.700 -0.221 0.000 1.092 187 T CA -0.589 61.543 62.100 0.052 0.000 1.008 187 T CB 0.872 69.690 68.868 -0.083 0.000 1.102 187 T HN 0.277 nan 8.240 nan 0.000 0.469 188 L N 5.472 126.331 121.223 -0.608 0.000 2.313 188 L HA 0.612 4.477 4.340 -0.792 0.000 0.282 188 L C -0.482 176.034 176.870 -0.590 0.000 1.092 188 L CA -0.258 53.978 54.840 -1.007 0.000 0.831 188 L CB 0.863 42.173 42.059 -1.248 0.000 1.159 188 L HN 0.492 nan 8.230 nan 0.000 0.442 189 V N 3.667 123.265 119.914 -0.527 0.000 3.113 189 V HA 0.479 4.124 4.120 -0.792 0.000 0.316 189 V C -0.754 175.240 176.094 -0.167 0.000 1.125 189 V CA -0.547 61.483 62.300 -0.450 0.000 1.026 189 V CB 2.545 33.910 31.823 -0.763 0.000 1.080 189 V HN 0.933 nan 8.190 nan 0.000 0.444 190 D N -0.644 119.760 120.400 0.007 0.000 2.714 190 D HA 0.308 4.473 4.640 -0.792 0.000 0.278 190 D C 0.988 177.370 176.300 0.137 0.000 1.102 190 D CA 0.228 54.285 54.000 0.094 0.000 1.108 190 D CB 0.961 41.763 40.800 0.004 0.000 1.444 190 D HN 0.428 nan 8.370 nan 0.000 0.568 191 S N -1.128 114.411 115.700 -0.268 0.000 2.383 191 S HA -0.214 3.781 4.470 -0.792 0.000 0.229 191 S C 1.636 176.163 174.600 -0.121 0.000 1.030 191 S CA 1.763 59.568 58.200 -0.658 0.000 1.002 191 S CB -1.313 61.261 63.200 -1.043 0.000 0.829 191 S HN 0.558 nan 8.310 nan 0.000 0.467 192 T N 1.341 115.881 114.554 -0.023 0.000 2.833 192 T HA 0.036 3.911 4.350 -0.792 0.000 0.269 192 T C 1.204 176.015 174.700 0.185 0.000 1.054 192 T CA 1.280 63.416 62.100 0.060 0.000 1.135 192 T CB -0.535 68.366 68.868 0.055 0.000 0.869 192 T HN 0.499 nan 8.240 nan 0.000 0.466 193 F N 1.990 122.010 119.950 0.117 0.000 2.146 193 F HA -0.108 3.945 4.527 -0.791 0.000 0.298 193 F C 2.457 178.488 175.800 0.385 0.000 1.096 193 F CA 1.131 59.272 58.000 0.236 0.000 1.275 193 F CB -0.129 38.985 39.000 0.191 0.000 1.008 193 F HN -0.014 nan 8.300 nan 0.000 0.480 194 Q N 0.168 120.276 119.800 0.512 0.000 2.172 194 Q HA -0.212 3.653 4.340 -0.792 0.000 0.200 194 Q C 2.176 178.292 176.000 0.194 0.000 0.964 194 Q CA 1.335 57.403 55.803 0.441 0.000 0.855 194 Q CB -0.781 28.318 28.738 0.601 0.000 0.918 194 Q HN 0.616 nan 8.270 nan 0.000 0.444 195 Q N 0.206 120.083 119.800 0.129 0.000 2.135 195 Q HA -0.136 3.729 4.340 -0.792 0.000 0.204 195 Q C 1.860 177.865 176.000 0.008 0.000 0.981 195 Q CA 1.563 57.384 55.803 0.031 0.000 0.856 195 Q CB -0.298 28.447 28.738 0.011 0.000 0.902 195 Q HN 0.438 nan 8.270 nan 0.000 0.425 196 G N 0.108 108.943 108.800 0.058 0.000 2.450 196 G HA2 -0.275 3.210 3.960 -0.792 0.000 0.220 196 G HA3 -0.275 3.210 3.960 -0.792 0.000 0.220 196 G C 0.901 175.670 174.900 -0.219 0.000 1.130 196 G CA 0.662 45.824 45.100 0.102 0.000 0.760 196 G HN 0.529 nan 8.290 nan 0.000 0.557 197 W N 1.826 122.540 121.300 -0.976 0.000 2.409 197 W HA 0.182 4.367 4.660 -0.791 0.000 0.299 197 W C 2.592 178.811 176.519 -0.500 0.000 1.203 197 W CA 1.072 57.453 57.345 -1.606 0.000 1.298 197 W CB -0.689 27.841 29.460 -1.549 0.000 1.127 197 W HN 0.261 nan 8.180 nan 0.000 0.528 198 A N 0.104 122.836 122.820 -0.147 0.000 1.940 198 A HA -0.274 3.571 4.320 -0.792 0.000 0.219 198 A C 1.906 179.477 177.584 -0.022 0.000 1.176 198 A CA 2.244 54.231 52.037 -0.084 0.000 0.631 198 A CB -0.960 17.930 19.000 -0.183 0.000 0.814 198 A HN 0.379 nan 8.150 nan 0.000 0.446 199 Q N -0.387 119.404 119.800 -0.016 0.000 2.084 199 Q HA -0.215 3.650 4.340 -0.792 0.000 0.202 199 Q C 1.850 177.895 176.000 0.076 0.000 0.978 199 Q CA 2.466 58.289 55.803 0.032 0.000 0.844 199 Q CB -0.619 28.152 28.738 0.055 0.000 0.898 199 Q HN 0.860 nan 8.270 nan 0.000 0.426 200 H N -0.456 118.621 119.070 0.012 0.000 2.321 200 H HA -0.077 4.004 4.556 -0.791 0.000 0.300 200 H C 1.704 177.101 175.328 0.114 0.000 1.087 200 H CA 2.072 58.178 56.048 0.097 0.000 1.319 200 H CB -0.332 29.522 29.762 0.154 0.000 1.379 200 H HN 0.311 nan 8.280 nan 0.000 0.501 201 L N -0.512 120.676 121.223 -0.059 0.000 1.989 201 L HA -0.176 3.689 4.340 -0.792 0.000 0.211 201 L C 2.652 179.567 176.870 0.074 0.000 1.071 201 L CA 1.321 56.172 54.840 0.018 0.000 0.749 201 L CB -0.483 41.610 42.059 0.057 0.000 0.890 201 L HN 0.221 nan 8.230 nan 0.000 0.431 202 V N -1.031 118.920 119.914 0.062 0.000 2.407 202 V HA -0.274 3.371 4.120 -0.792 0.000 0.248 202 V C 2.537 178.634 176.094 0.005 0.000 1.055 202 V CA 1.994 64.331 62.300 0.062 0.000 1.049 202 V CB -0.301 31.551 31.823 0.047 0.000 0.662 202 V HN 0.386 nan 8.190 nan 0.000 0.455 203 S N -0.974 114.702 115.700 -0.039 0.000 2.383 203 S HA -0.254 3.741 4.470 -0.792 0.000 0.227 203 S C 1.957 176.465 174.600 -0.154 0.000 1.026 203 S CA 1.671 59.834 58.200 -0.063 0.000 0.981 203 S CB -0.199 62.986 63.200 -0.024 0.000 0.818 203 S HN 0.697 nan 8.310 nan 0.000 0.472 204 Q N -1.178 118.437 119.800 -0.308 0.000 2.250 204 Q HA 0.017 3.882 4.340 -0.792 0.000 0.200 204 Q C 1.041 176.627 176.000 -0.691 0.000 0.941 204 Q CA 0.828 56.285 55.803 -0.578 0.000 0.872 204 Q CB 0.104 28.311 28.738 -0.885 0.000 0.965 204 Q HN 0.686 nan 8.270 nan 0.000 0.480 205 W N -0.399 120.856 121.300 -0.076 0.000 2.940 205 W HA 0.426 4.611 4.660 -0.792 0.000 0.297 205 W C 0.713 177.209 176.519 -0.038 0.000 1.149 205 W CA 0.179 57.493 57.345 -0.051 0.000 1.564 205 W CB 0.849 30.272 29.460 -0.061 0.000 1.010 205 W HN 0.253 nan 8.180 nan 0.000 0.578 206 G N 0.811 109.686 108.800 0.125 0.000 2.685 206 G HA2 -0.108 3.377 3.960 -0.792 0.000 0.387 206 G HA3 -0.108 3.377 3.960 -0.792 0.000 0.387 206 G C 0.092 175.044 174.900 0.086 0.000 1.324 206 G CA -0.636 44.511 45.100 0.079 0.000 0.878 206 G HN 0.148 nan 8.290 nan 0.000 0.527 207 T N -1.799 112.787 114.554 0.054 0.000 2.788 207 T HA 0.694 4.569 4.350 -0.792 0.000 0.280 207 T C 1.918 176.639 174.700 0.035 0.000 0.984 207 T CA 0.813 62.941 62.100 0.046 0.000 0.972 207 T CB 1.279 70.162 68.868 0.025 0.000 1.039 207 T HN 2.226 nan 8.240 nan 0.000 0.530 208 A N 0.550 123.382 122.820 0.020 0.000 1.898 208 A HA 0.230 4.074 4.320 -0.792 0.000 0.216 208 A C 2.633 180.199 177.584 -0.029 0.000 1.181 208 A CA 1.615 53.638 52.037 -0.024 0.000 0.620 208 A CB -1.554 17.417 19.000 -0.048 0.000 0.819 208 A HN 1.229 nan 8.150 nan 0.000 0.442 209 A N -0.706 122.105 122.820 -0.016 0.000 2.019 209 A HA 0.156 4.001 4.320 -0.792 0.000 0.219 209 A C 2.083 179.664 177.584 -0.005 0.000 1.164 209 A CA 1.644 53.673 52.037 -0.014 0.000 0.644 209 A CB -0.894 18.101 19.000 -0.009 0.000 0.805 209 A HN 0.786 nan 8.150 nan 0.000 0.449 210 G N -2.277 106.526 108.800 0.006 0.000 3.141 210 G HA2 0.395 3.880 3.960 -0.792 0.000 0.218 210 G HA3 0.395 3.880 3.960 -0.792 0.000 0.218 210 G C 0.992 175.906 174.900 0.023 0.000 1.170 210 G CA 0.444 45.553 45.100 0.016 0.000 0.769 210 G HN 1.586 nan 8.290 nan 0.000 0.546 211 G N -1.360 107.446 108.800 0.010 0.000 2.144 211 G HA2 0.017 3.502 3.960 -0.792 0.000 0.218 211 G HA3 0.017 3.502 3.960 -0.792 0.000 0.218 211 G C 0.735 175.646 174.900 0.020 0.000 0.988 211 G CA 0.137 45.243 45.100 0.009 0.000 0.659 211 G HN 0.914 nan 8.290 nan 0.000 0.522 212 G N -0.694 108.124 108.800 0.031 0.000 2.574 212 G HA2 0.631 4.116 3.960 -0.792 0.000 0.248 212 G HA3 0.631 4.116 3.960 -0.792 0.000 0.248 212 G C 0.299 175.152 174.900 -0.079 0.000 1.422 212 G CA -0.279 44.852 45.100 0.052 0.000 1.051 212 G HN 1.054 nan 8.290 nan 0.000 0.560 213 L N 0.402 121.546 121.223 -0.132 0.000 2.584 213 L HA 0.214 4.079 4.340 -0.792 0.000 0.272 213 L C 1.832 178.560 176.870 -0.237 0.000 1.195 213 L CA 0.469 55.145 54.840 -0.272 0.000 0.920 213 L CB 0.448 42.251 42.059 -0.427 0.000 1.173 213 L HN 0.669 nan 8.230 nan 0.000 0.489 214 R N 3.503 123.830 120.500 -0.289 0.000 2.175 214 R HA 0.089 3.954 4.340 -0.792 0.000 0.202 214 R C -0.522 175.460 176.300 -0.530 0.000 1.018 214 R CA 0.215 56.062 56.100 -0.422 0.000 1.029 214 R CB 0.219 30.152 30.300 -0.611 0.000 0.959 214 R HN 0.590 nan 8.270 nan 0.000 0.480 215 Y N -0.236 119.977 120.300 -0.145 0.000 2.328 215 Y HA 0.344 4.419 4.550 -0.792 0.000 0.336 215 Y C -1.226 174.529 175.900 -0.242 0.000 0.960 215 Y CA -0.979 57.060 58.100 -0.102 0.000 1.134 215 Y CB 1.320 39.742 38.460 -0.063 0.000 1.166 215 Y HN -0.092 nan 8.280 nan 0.000 0.464 216 Y N 3.750 124.107 120.300 0.094 0.000 2.328 216 Y HA 0.534 4.609 4.550 -0.792 0.000 0.337 216 Y C -0.155 175.778 175.900 0.055 0.000 0.966 216 Y CA -0.761 57.349 58.100 0.017 0.000 1.136 216 Y CB 1.088 39.537 38.460 -0.017 0.000 1.170 216 Y HN 0.433 nan 8.280 nan 0.000 0.470 217 I N 4.889 125.544 120.570 0.141 0.000 2.359 217 I HA 0.246 3.941 4.170 -0.792 0.000 0.294 217 I C -0.574 175.619 176.117 0.125 0.000 0.987 217 I CA -0.660 60.706 61.300 0.111 0.000 1.225 217 I CB 1.243 39.274 38.000 0.051 0.000 1.366 217 I HN 0.409 nan 8.210 nan 0.000 0.466 218 L N 6.543 127.837 121.223 0.118 0.000 2.282 218 L HA 0.236 4.101 4.340 -0.792 0.000 0.287 218 L C 0.538 177.473 176.870 0.109 0.000 1.075 218 L CA 0.163 55.069 54.840 0.109 0.000 0.839 218 L CB -0.053 42.069 42.059 0.105 0.000 1.219 218 L HN 0.779 nan 8.230 nan 0.000 0.434 219 D N 2.328 122.808 120.400 0.133 0.000 3.364 219 D HA -0.303 3.862 4.640 -0.792 0.000 0.237 219 D C -0.411 175.995 176.300 0.177 0.000 1.750 219 D CA 1.242 55.358 54.000 0.194 0.000 1.121 219 D CB 0.114 41.108 40.800 0.323 0.000 0.767 219 D HN 0.665 nan 8.370 nan 0.000 0.926 220 N N 0.133 118.980 118.700 0.244 0.000 2.455 220 N HA 0.215 4.480 4.740 -0.792 0.000 0.285 220 N C -1.481 174.143 175.510 0.189 0.000 1.080 220 N CA 0.004 53.178 53.050 0.206 0.000 0.932 220 N CB 1.095 39.717 38.487 0.225 0.000 1.610 220 N HN 0.400 nan 8.380 nan 0.000 0.493 221 E N 1.792 122.029 120.200 0.061 0.000 2.149 221 E HA -0.198 3.677 4.350 -0.792 0.000 0.191 221 E C -1.685 174.831 176.600 -0.140 0.000 1.384 221 E CA 0.309 56.733 56.400 0.041 0.000 0.698 221 E CB -0.649 29.155 29.700 0.173 0.000 1.086 221 E HN 0.605 nan 8.360 nan 0.000 0.338 222 P HA -0.296 nan 4.420 nan 0.000 0.216 222 P C 1.669 178.400 177.300 -0.947 0.000 1.153 222 P CA 2.072 64.305 63.100 -1.445 0.000 0.858 222 P CB -0.013 30.941 31.700 -1.243 0.000 0.789 223 S N 1.217 116.744 115.700 -0.288 0.000 2.402 223 S HA -0.173 3.822 4.470 -0.792 0.000 0.233 223 S C 1.804 176.476 174.600 0.121 0.000 1.030 223 S CA 1.522 59.703 58.200 -0.031 0.000 1.003 223 S CB -1.681 61.602 63.200 0.137 0.000 0.813 223 S HN 0.398 nan 8.310 nan 0.000 0.477 224 I N -4.017 116.543 120.570 -0.015 0.000 3.850 224 I HA 0.392 4.087 4.170 -0.792 0.000 0.333 224 I C 1.073 177.062 176.117 -0.213 0.000 1.511 224 I CA -0.804 60.319 61.300 -0.296 0.000 1.199 224 I CB -0.375 37.334 38.000 -0.486 0.000 1.217 224 I HN 0.063 nan 8.210 nan 0.000 0.423 225 W N 2.091 123.365 121.300 -0.044 0.000 2.374 225 W HA -0.129 4.056 4.660 -0.793 0.000 0.288 225 W C 2.174 178.730 176.519 0.062 0.000 1.218 225 W CA 0.879 58.256 57.345 0.052 0.000 1.245 225 W CB -0.956 28.471 29.460 -0.056 0.000 1.126 225 W HN 0.561 nan 8.180 nan 0.000 0.545 226 F N -0.945 119.197 119.950 0.319 0.000 2.583 226 F HA -0.007 4.046 4.527 -0.790 0.000 0.297 226 F C 2.035 177.912 175.800 0.128 0.000 1.131 226 F CA 1.352 59.488 58.000 0.227 0.000 1.467 226 F CB -0.989 38.104 39.000 0.155 0.000 1.097 226 F HN -0.213 nan 8.300 nan 0.000 0.586 227 S N -0.149 115.260 115.700 -0.485 0.000 2.877 227 S HA 0.018 4.013 4.470 -0.792 0.000 0.230 227 S C 1.856 176.354 174.600 -0.170 0.000 0.999 227 S CA 0.791 58.769 58.200 -0.369 0.000 0.866 227 S CB -0.665 62.145 63.200 -0.650 0.000 0.819 227 S HN 0.345 nan 8.310 nan 0.000 0.607 228 T N 1.505 115.903 114.554 -0.260 0.000 2.788 228 T HA -0.014 3.861 4.350 -0.792 0.000 0.268 228 T C 0.454 174.902 174.700 -0.419 0.000 1.044 228 T CA 1.145 63.026 62.100 -0.366 0.000 1.139 228 T CB -0.306 68.285 68.868 -0.461 0.000 0.867 228 T HN 0.448 nan 8.240 nan 0.000 0.454 229 H N 0.218 119.394 119.070 0.177 0.000 2.528 229 H HA 0.378 4.460 4.556 -0.790 0.000 0.256 229 H C 1.478 176.948 175.328 0.236 0.000 1.204 229 H CA -0.329 55.851 56.048 0.220 0.000 0.955 229 H CB 0.109 29.921 29.762 0.084 0.000 1.817 229 H HN 0.214 nan 8.280 nan 0.000 0.579 230 R N 1.338 122.037 120.500 0.332 0.000 2.103 230 R HA -0.149 3.716 4.340 -0.792 0.000 0.242 230 R C 1.587 177.928 176.300 0.068 0.000 1.142 230 R CA 2.122 58.347 56.100 0.208 0.000 0.960 230 R CB 0.189 30.590 30.300 0.167 0.000 0.858 230 R HN 0.382 nan 8.270 nan 0.000 0.439 231 D N -0.606 119.752 120.400 -0.070 0.000 2.158 231 D HA -0.149 4.016 4.640 -0.792 0.000 0.197 231 D C 1.579 177.664 176.300 -0.357 0.000 0.995 231 D CA 1.083 54.835 54.000 -0.414 0.000 0.846 231 D CB -0.335 40.029 40.800 -0.727 0.000 0.941 231 D HN 0.218 nan 8.370 nan 0.000 0.456 232 V N -1.223 118.576 119.914 -0.192 0.000 3.528 232 V HA 0.062 3.707 4.120 -0.792 0.000 0.294 232 V C -0.094 175.888 176.094 -0.187 0.000 1.404 232 V CA -0.069 62.012 62.300 -0.364 0.000 1.065 232 V CB -0.272 31.365 31.823 -0.310 0.000 0.904 232 V HN 0.357 nan 8.190 nan 0.000 0.435 233 H N 0.529 119.572 119.070 -0.046 0.000 2.946 233 H HA 0.240 4.320 4.556 -0.793 0.000 0.217 233 H C -2.110 173.323 175.328 0.174 0.000 1.393 233 H CA -0.719 55.385 56.048 0.093 0.000 1.306 233 H CB 1.508 31.364 29.762 0.156 0.000 2.062 233 H HN 0.203 nan 8.280 nan 0.000 0.520 234 P HA -0.142 nan 4.420 nan 0.000 0.217 234 P C 0.775 178.205 177.300 0.217 0.000 1.148 234 P CA 0.710 63.905 63.100 0.158 0.000 0.828 234 P CB 0.904 32.625 31.700 0.035 0.000 0.783 235 V N 0.500 120.541 119.914 0.211 0.000 2.427 235 V HA 0.647 4.292 4.120 -0.792 0.000 0.286 235 V C 0.443 176.764 176.094 0.378 0.000 1.034 235 V CA -0.669 61.739 62.300 0.181 0.000 0.893 235 V CB 0.864 32.763 31.823 0.126 0.000 0.982 235 V HN 0.129 nan 8.190 nan 0.000 0.452 236 G N 7.962 116.849 108.800 0.146 0.000 2.353 236 G HA2 0.299 3.784 3.960 -0.792 0.000 0.239 236 G HA3 0.299 3.784 3.960 -0.792 0.000 0.239 236 G C -2.493 172.629 174.900 0.371 0.000 1.295 236 G CA -0.578 44.672 45.100 0.250 0.000 0.884 236 G HN 0.714 nan 8.290 nan 0.000 0.537 237 P HA 0.163 nan 4.420 nan 0.000 0.275 237 P C 0.570 177.958 177.300 0.147 0.000 1.227 237 P CA -0.177 63.112 63.100 0.315 0.000 0.781 237 P CB 1.033 32.857 31.700 0.207 0.000 0.906 238 T N -0.304 114.318 114.554 0.114 0.000 2.849 238 T HA 0.232 4.107 4.350 -0.792 0.000 0.284 238 T C 1.769 176.408 174.700 -0.102 0.000 1.004 238 T CA -0.701 61.363 62.100 -0.061 0.000 1.021 238 T CB 0.275 69.061 68.868 -0.136 0.000 1.013 238 T HN 0.498 nan 8.240 nan 0.000 0.527 239 M N -0.220 119.215 119.600 -0.276 0.000 2.374 239 M HA -0.024 3.981 4.480 -0.792 0.000 0.264 239 M C 1.032 177.335 176.300 0.005 0.000 1.067 239 M CA 1.428 56.641 55.300 -0.144 0.000 1.103 239 M CB -0.697 31.592 32.600 -0.517 0.000 1.402 239 M HN 0.459 nan 8.290 nan 0.000 0.444 240 D N 1.899 122.234 120.400 -0.108 0.000 2.097 240 D HA -0.193 3.972 4.640 -0.792 0.000 0.195 240 D C 2.017 178.418 176.300 0.168 0.000 0.989 240 D CA 2.098 56.174 54.000 0.126 0.000 0.827 240 D CB -0.252 40.602 40.800 0.090 0.000 0.966 240 D HN 0.775 nan 8.370 nan 0.000 0.456 241 E N 0.476 120.761 120.200 0.141 0.000 2.204 241 E HA -0.133 3.742 4.350 -0.792 0.000 0.194 241 E C 1.870 178.599 176.600 0.216 0.000 0.989 241 E CA 0.715 57.232 56.400 0.195 0.000 0.824 241 E CB -0.011 29.832 29.700 0.238 0.000 0.756 241 E HN 0.108 nan 8.360 nan 0.000 0.477 242 I N 1.399 122.083 120.570 0.190 0.000 2.500 242 I HA -0.103 3.592 4.170 -0.792 0.000 0.252 242 I C 2.640 178.862 176.117 0.175 0.000 1.142 242 I CA 1.014 62.418 61.300 0.173 0.000 1.451 242 I CB -1.207 36.907 38.000 0.190 0.000 1.093 242 I HN 0.282 nan 8.210 nan 0.000 0.430 243 R N 1.309 121.931 120.500 0.202 0.000 2.066 243 R HA -0.173 3.692 4.340 -0.792 0.000 0.232 243 R C 1.718 178.084 176.300 0.109 0.000 1.131 243 R CA 1.808 57.986 56.100 0.131 0.000 0.955 243 R CB -0.107 30.275 30.300 0.137 0.000 0.851 243 R HN 0.225 nan 8.270 nan 0.000 0.432 244 D N 0.702 121.187 120.400 0.142 0.000 2.144 244 D HA -0.143 4.022 4.640 -0.792 0.000 0.199 244 D C 1.776 178.185 176.300 0.182 0.000 0.984 244 D CA 1.303 55.384 54.000 0.135 0.000 0.834 244 D CB -0.060 40.825 40.800 0.142 0.000 0.955 244 D HN 0.331 nan 8.370 nan 0.000 0.465 245 K N -0.130 120.413 120.400 0.239 0.000 2.097 245 K HA 0.011 3.856 4.320 -0.792 0.000 0.205 245 K C 2.263 179.067 176.600 0.341 0.000 1.050 245 K CA 0.731 57.231 56.287 0.356 0.000 0.938 245 K CB -0.032 32.661 32.500 0.321 0.000 0.718 245 K HN 0.151 nan 8.250 nan 0.000 0.442 246 M N 0.584 120.310 119.600 0.209 0.000 2.156 246 M HA -0.124 3.881 4.480 -0.792 0.000 0.264 246 M C 2.130 178.517 176.300 0.144 0.000 1.067 246 M CA 1.429 56.829 55.300 0.168 0.000 1.131 246 M CB -0.266 32.399 32.600 0.109 0.000 1.368 246 M HN 0.101 nan 8.290 nan 0.000 0.416 247 L N -0.005 121.280 121.223 0.103 0.000 2.017 247 L HA -0.245 3.620 4.340 -0.792 0.000 0.208 247 L C 2.305 179.216 176.870 0.068 0.000 1.073 247 L CA 1.354 56.229 54.840 0.059 0.000 0.745 247 L CB -0.755 41.319 42.059 0.024 0.000 0.894 247 L HN 0.330 nan 8.230 nan 0.000 0.432 248 D N -0.438 120.021 120.400 0.098 0.000 2.077 248 D HA -0.238 3.927 4.640 -0.792 0.000 0.193 248 D C 2.105 178.407 176.300 0.003 0.000 0.989 248 D CA 1.755 55.778 54.000 0.037 0.000 0.831 248 D CB -0.254 40.567 40.800 0.036 0.000 0.979 248 D HN 0.224 nan 8.370 nan 0.000 0.449 249 Y N 0.450 120.791 120.300 0.069 0.000 2.274 249 Y HA 0.059 4.134 4.550 -0.791 0.000 0.290 249 Y C 2.555 178.472 175.900 0.028 0.000 1.145 249 Y CA 1.394 59.535 58.100 0.067 0.000 1.203 249 Y CB -0.643 37.881 38.460 0.108 0.000 0.984 249 Y HN 0.124 nan 8.280 nan 0.000 0.533 250 G N -0.597 108.306 108.800 0.172 0.000 2.422 250 G HA2 -0.213 3.272 3.960 -0.792 0.000 0.218 250 G HA3 -0.213 3.272 3.960 -0.792 0.000 0.218 250 G C 1.898 176.811 174.900 0.022 0.000 1.146 250 G CA 0.904 46.055 45.100 0.086 0.000 0.769 250 G HN 0.462 nan 8.290 nan 0.000 0.547 251 A N 0.854 123.683 122.820 0.015 0.000 1.898 251 A HA 0.043 3.888 4.320 -0.792 0.000 0.216 251 A C 2.386 179.947 177.584 -0.038 0.000 1.181 251 A CA 1.786 53.815 52.037 -0.014 0.000 0.620 251 A CB -0.267 18.724 19.000 -0.015 0.000 0.819 251 A HN 0.193 nan 8.150 nan 0.000 0.442 252 K N 0.023 120.395 120.400 -0.048 0.000 2.063 252 K HA -0.106 3.739 4.320 -0.792 0.000 0.208 252 K C 1.841 178.388 176.600 -0.088 0.000 1.048 252 K CA 1.538 57.786 56.287 -0.065 0.000 0.928 252 K CB -0.645 31.804 32.500 -0.085 0.000 0.713 252 K HN 0.639 nan 8.250 nan 0.000 0.442 253 I N 1.153 121.653 120.570 -0.116 0.000 2.233 253 I HA -0.222 3.473 4.170 -0.792 0.000 0.243 253 I C 2.251 178.231 176.117 -0.228 0.000 1.093 253 I CA 0.975 62.122 61.300 -0.254 0.000 1.380 253 I CB -0.210 37.564 38.000 -0.376 0.000 1.067 253 I HN 0.034 nan 8.210 nan 0.000 0.413 254 K N 0.481 120.798 120.400 -0.137 0.000 2.097 254 K HA -0.119 3.726 4.320 -0.792 0.000 0.206 254 K C 2.114 178.671 176.600 -0.073 0.000 1.049 254 K CA 1.517 57.750 56.287 -0.091 0.000 0.933 254 K CB -0.713 31.759 32.500 -0.046 0.000 0.717 254 K HN 0.300 nan 8.250 nan 0.000 0.442 255 T N 1.394 115.909 114.554 -0.065 0.000 2.720 255 T HA -0.091 3.784 4.350 -0.792 0.000 0.268 255 T C 2.060 176.730 174.700 -0.049 0.000 1.037 255 T CA 1.214 63.286 62.100 -0.047 0.000 1.144 255 T CB -0.084 68.760 68.868 -0.040 0.000 0.864 255 T HN -0.067 nan 8.240 nan 0.000 0.444 256 V N 0.685 120.556 119.914 -0.072 0.000 2.407 256 V HA 0.025 3.670 4.120 -0.792 0.000 0.245 256 V C 0.808 176.867 176.094 -0.058 0.000 1.041 256 V CA 1.095 63.356 62.300 -0.064 0.000 1.040 256 V CB -0.089 31.682 31.823 -0.086 0.000 0.671 256 V HN 0.400 nan 8.190 nan 0.000 0.455 257 D N -0.733 119.615 120.400 -0.087 0.000 2.346 257 D HA 0.232 4.397 4.640 -0.792 0.000 0.255 257 D C -2.015 174.255 176.300 -0.051 0.000 1.276 257 D CA -1.849 52.120 54.000 -0.052 0.000 0.941 257 D CB 1.838 42.625 40.800 -0.022 0.000 1.199 257 D HN 0.100 nan 8.370 nan 0.000 0.537 258 P HA -0.080 nan 4.420 nan 0.000 0.230 258 P C 0.970 178.260 177.300 -0.017 0.000 1.158 258 P CA 0.524 63.609 63.100 -0.025 0.000 0.769 258 P CB 0.284 31.973 31.700 -0.018 0.000 0.807 259 S N -1.349 114.344 115.700 -0.012 0.000 2.501 259 S HA 0.275 4.270 4.470 -0.792 0.000 0.220 259 S C 1.208 175.799 174.600 -0.016 0.000 0.997 259 S CA -0.141 58.051 58.200 -0.014 0.000 0.919 259 S CB -0.629 62.564 63.200 -0.012 0.000 0.778 259 S HN 0.147 nan 8.310 nan 0.000 0.523 260 A N 1.330 124.154 122.820 0.007 0.000 2.366 260 A HA 0.632 4.477 4.320 -0.792 0.000 0.249 260 A C -0.450 177.157 177.584 0.038 0.000 1.084 260 A CA -0.388 51.678 52.037 0.049 0.000 0.794 260 A CB 0.041 19.162 19.000 0.201 0.000 1.034 260 A HN 0.388 nan 8.150 nan 0.000 0.491 261 L N 1.177 122.427 121.223 0.046 0.000 2.322 261 L HA 0.490 4.355 4.340 -0.792 0.000 0.281 261 L C -0.172 176.819 176.870 0.203 0.000 1.014 261 L CA 0.207 55.099 54.840 0.086 0.000 0.815 261 L CB 1.421 43.513 42.059 0.054 0.000 1.247 261 L HN 0.551 nan 8.230 nan 0.000 0.421 262 I N 3.261 123.929 120.570 0.164 0.000 2.392 262 I HA 0.492 4.187 4.170 -0.792 0.000 0.295 262 I C -0.584 175.631 176.117 0.164 0.000 0.985 262 I CA -0.797 60.609 61.300 0.177 0.000 1.221 262 I CB 1.721 39.794 38.000 0.121 0.000 1.366 262 I HN 0.187 nan 8.210 nan 0.000 0.467 263 V N 4.739 124.751 119.914 0.163 0.000 2.604 263 V HA 0.944 4.589 4.120 -0.792 0.000 0.305 263 V C 0.274 176.427 176.094 0.099 0.000 1.043 263 V CA -0.332 62.038 62.300 0.115 0.000 0.888 263 V CB 1.488 33.359 31.823 0.079 0.000 0.995 263 V HN 1.025 nan 8.190 nan 0.000 0.429 264 G N 4.288 113.143 108.800 0.092 0.000 2.349 264 G HA2 0.480 3.965 3.960 -0.792 0.000 0.294 264 G HA3 0.480 3.965 3.960 -0.792 0.000 0.294 264 G C -2.996 171.976 174.900 0.120 0.000 1.380 264 G CA -0.342 44.807 45.100 0.080 0.000 0.811 264 G HN 0.389 nan 8.290 nan 0.000 0.519 265 P HA 0.182 nan 4.420 nan 0.000 0.257 265 P C -0.129 177.136 177.300 -0.057 0.000 1.325 265 P CA 0.226 63.340 63.100 0.024 0.000 0.850 265 P CB 0.428 32.141 31.700 0.021 0.000 1.324 266 E N -0.820 119.294 120.200 -0.142 0.000 2.586 266 E HA -0.153 3.722 4.350 -0.792 0.000 0.259 266 E C -0.015 176.294 176.600 -0.485 0.000 1.107 266 E CA 0.871 57.056 56.400 -0.359 0.000 0.754 266 E CB -1.646 27.960 29.700 -0.155 0.000 1.335 266 E HN 0.453 nan 8.360 nan 0.000 0.411 267 E N 0.311 120.364 120.200 -0.245 0.000 2.415 267 E HA -0.080 3.795 4.350 -0.792 0.000 0.262 267 E C 1.555 178.119 176.600 -0.060 0.000 1.038 267 E CA 0.159 56.523 56.400 -0.060 0.000 0.921 267 E CB 0.140 29.904 29.700 0.107 0.000 0.950 267 E HN 0.417 nan 8.360 nan 0.000 0.438 268 W N 3.067 124.379 121.300 0.019 0.000 2.379 268 W HA 0.005 4.194 4.660 -0.786 0.000 0.307 268 W C 0.260 176.863 176.519 0.140 0.000 1.200 268 W CA 1.077 58.478 57.345 0.093 0.000 1.297 268 W CB -0.122 29.364 29.460 0.044 0.000 1.140 268 W HN 0.456 nan 8.180 nan 0.000 0.507 269 G N -2.303 105.769 108.800 -1.212 0.000 2.428 269 G HA2 0.058 3.543 3.960 -0.792 0.000 0.304 269 G HA3 0.058 3.543 3.960 -0.792 0.000 0.304 269 G C -0.201 173.502 174.900 -1.996 0.000 1.303 269 G CA -0.274 44.038 45.100 -1.314 0.000 0.825 269 G HN 0.185 nan 8.290 nan 0.000 0.484 270 W N 0.578 120.987 121.300 -1.485 0.000 2.300 270 W HA -0.307 3.877 4.660 -0.793 0.000 0.346 270 W C 2.243 178.318 176.519 -0.739 0.000 1.405 270 W CA 3.053 59.771 57.345 -1.046 0.000 1.281 270 W CB -0.823 28.371 29.460 -0.444 0.000 1.097 270 W HN 0.471 nan 8.180 nan 0.000 0.470 271 S N 0.106 115.605 115.700 -0.335 0.000 2.392 271 S HA -0.202 3.793 4.470 -0.792 0.000 0.232 271 S C 1.700 176.207 174.600 -0.155 0.000 1.041 271 S CA 1.664 59.819 58.200 -0.075 0.000 1.026 271 S CB -1.132 62.350 63.200 0.471 0.000 0.845 271 S HN 0.521 nan 8.310 nan 0.000 0.465 272 G N -0.828 107.716 108.800 -0.427 0.000 2.882 272 G HA2 -0.011 3.474 3.960 -0.792 0.000 0.206 272 G HA3 -0.011 3.474 3.960 -0.792 0.000 0.206 272 G C 0.598 175.615 174.900 0.196 0.000 1.155 272 G CA 0.093 45.138 45.100 -0.091 0.000 0.800 272 G HN 0.471 nan 8.290 nan 0.000 0.524 273 Y N 0.285 120.550 120.300 -0.058 0.000 2.503 273 Y HA 0.111 4.186 4.550 -0.791 0.000 0.277 273 Y C 2.681 178.603 175.900 0.037 0.000 1.102 273 Y CA 0.775 58.907 58.100 0.054 0.000 1.261 273 Y CB -0.181 38.321 38.460 0.070 0.000 1.096 273 Y HN 0.263 nan 8.280 nan 0.000 0.546 274 T N -3.520 111.102 114.554 0.113 0.000 2.975 274 T HA 0.364 4.239 4.350 -0.792 0.000 0.261 274 T C 0.118 174.874 174.700 0.094 0.000 0.984 274 T CA 0.071 62.206 62.100 0.058 0.000 0.911 274 T CB -0.282 68.557 68.868 -0.047 0.000 1.127 274 T HN -0.061 nan 8.240 nan 0.000 0.514 275 L N 2.792 124.068 121.223 0.090 0.000 2.385 275 L HA 0.624 4.489 4.340 -0.792 0.000 0.273 275 L C 0.220 176.929 176.870 -0.268 0.000 0.990 275 L CA -1.157 53.678 54.840 -0.007 0.000 0.821 275 L CB 2.342 44.455 42.059 0.090 0.000 1.279 275 L HN 0.256 nan 8.230 nan 0.000 0.412 276 S N 1.009 116.394 115.700 -0.525 0.000 2.600 276 S HA 0.192 4.187 4.470 -0.792 0.000 0.265 276 S C 1.301 175.714 174.600 -0.313 0.000 1.325 276 S CA -0.037 57.628 58.200 -0.891 0.000 1.002 276 S CB 1.423 64.223 63.200 -0.667 0.000 0.921 276 S HN 0.803 nan 8.310 nan 0.000 0.554 277 G N 0.300 108.972 108.800 -0.213 0.000 2.469 277 G HA2 -0.261 3.224 3.960 -0.792 0.000 0.219 277 G HA3 -0.261 3.224 3.960 -0.792 0.000 0.219 277 G C 1.122 176.021 174.900 -0.002 0.000 1.150 277 G CA 1.123 46.275 45.100 0.087 0.000 0.763 277 G HN 0.860 nan 8.290 nan 0.000 0.561 278 Y N 1.680 121.913 120.300 -0.111 0.000 2.128 278 Y HA -0.156 3.920 4.550 -0.790 0.000 0.284 278 Y C 2.422 178.245 175.900 -0.127 0.000 1.154 278 Y CA 2.208 60.235 58.100 -0.122 0.000 1.149 278 Y CB -0.069 38.329 38.460 -0.104 0.000 0.976 278 Y HN 0.203 nan 8.280 nan 0.000 0.505 279 D N -0.553 119.892 120.400 0.075 0.000 2.183 279 D HA -0.137 4.028 4.640 -0.792 0.000 0.203 279 D C 2.109 178.455 176.300 0.076 0.000 0.969 279 D CA 1.135 55.173 54.000 0.063 0.000 0.842 279 D CB -0.245 40.583 40.800 0.047 0.000 0.957 279 D HN 0.518 nan 8.370 nan 0.000 0.484 280 Q N 0.129 119.994 119.800 0.108 0.000 2.084 280 Q HA -0.194 3.671 4.340 -0.792 0.000 0.202 280 Q C 2.147 178.149 176.000 0.003 0.000 0.978 280 Q CA 1.232 57.201 55.803 0.277 0.000 0.844 280 Q CB -0.040 28.926 28.738 0.381 0.000 0.898 280 Q HN 0.365 nan 8.270 nan 0.000 0.426 281 Q N -0.271 119.275 119.800 -0.424 0.000 2.016 281 Q HA -0.227 3.638 4.340 -0.792 0.000 0.200 281 Q C 1.910 177.638 176.000 -0.454 0.000 0.978 281 Q CA 1.302 56.629 55.803 -0.793 0.000 0.833 281 Q CB -0.263 27.604 28.738 -1.453 0.000 0.895 281 Q HN 0.411 nan 8.270 nan 0.000 0.427 282 Y N 0.534 120.534 120.300 -0.501 0.000 2.151 282 Y HA -0.182 3.893 4.550 -0.791 0.000 0.284 282 Y C 2.084 177.813 175.900 -0.286 0.000 1.166 282 Y CA 2.115 60.034 58.100 -0.302 0.000 1.163 282 Y CB -0.688 37.565 38.460 -0.344 0.000 0.974 282 Y HN 0.273 nan 8.280 nan 0.000 0.511 283 G N -0.839 107.670 108.800 -0.485 0.000 2.440 283 G HA2 -0.270 3.215 3.960 -0.792 0.000 0.218 283 G HA3 -0.270 3.215 3.960 -0.792 0.000 0.218 283 G C 1.890 176.013 174.900 -1.296 0.000 1.154 283 G CA 0.777 45.007 45.100 -1.449 0.000 0.767 283 G HN 0.600 nan 8.290 nan 0.000 0.552 284 G N 0.313 108.691 108.800 -0.703 0.000 2.448 284 G HA2 -0.087 3.398 3.960 -0.792 0.000 0.219 284 G HA3 -0.087 3.398 3.960 -0.792 0.000 0.219 284 G C 1.522 176.197 174.900 -0.375 0.000 1.127 284 G CA 0.574 45.479 45.100 -0.325 0.000 0.766 284 G HN 0.337 nan 8.290 nan 0.000 0.552 285 L N -0.137 120.776 121.223 -0.516 0.000 2.416 285 L HA 0.215 4.080 4.340 -0.792 0.000 0.216 285 L C 0.882 177.172 176.870 -0.968 0.000 1.098 285 L CA 1.043 55.438 54.840 -0.742 0.000 0.840 285 L CB -0.607 40.883 42.059 -0.947 0.000 0.981 285 L HN 0.375 nan 8.230 nan 0.000 0.462 286 H N -1.603 117.131 119.070 -0.560 0.000 2.865 286 H HA 0.558 4.640 4.556 -0.791 0.000 0.247 286 H C 0.844 175.968 175.328 -0.340 0.000 1.181 286 H CA -0.070 55.712 56.048 -0.443 0.000 0.975 286 H CB 0.108 29.535 29.762 -0.559 0.000 1.899 286 H HN 0.172 nan 8.280 nan 0.000 0.651 287 G N 0.247 108.853 108.800 -0.324 0.000 2.796 287 G HA2 -0.248 3.237 3.960 -0.792 0.000 0.571 287 G HA3 -0.248 3.237 3.960 -0.792 0.000 0.571 287 G C -0.474 174.162 174.900 -0.439 0.000 1.370 287 G CA -0.421 44.520 45.100 -0.266 0.000 0.856 287 G HN 0.370 nan 8.290 nan 0.000 0.538 288 W N 0.600 121.970 121.300 0.116 0.000 2.693 288 W HA 0.456 4.640 4.660 -0.793 0.000 0.415 288 W C 1.986 178.589 176.519 0.140 0.000 0.932 288 W CA 0.341 57.765 57.345 0.132 0.000 2.200 288 W CB 0.272 29.798 29.460 0.110 0.000 1.188 288 W HN 0.906 nan 8.180 nan 0.000 0.665 289 S N -0.419 115.450 115.700 0.280 0.000 2.461 289 S HA 0.072 4.067 4.470 -0.792 0.000 0.228 289 S C 0.175 174.970 174.600 0.326 0.000 1.005 289 S CA 0.378 58.734 58.200 0.259 0.000 0.942 289 S CB -0.084 63.234 63.200 0.198 0.000 0.776 289 S HN 0.163 nan 8.310 nan 0.000 0.514 290 F N 1.864 121.895 119.950 0.133 0.000 2.730 290 F HA 0.525 4.577 4.527 -0.792 0.000 0.335 290 F C -1.082 174.746 175.800 0.047 0.000 1.212 290 F CA -1.032 57.017 58.000 0.081 0.000 1.016 290 F CB 1.593 40.622 39.000 0.049 0.000 1.290 290 F HN -0.080 nan 8.300 nan 0.000 0.495 291 M N 9.008 128.305 119.600 -0.506 0.000 2.206 291 M HA 0.240 4.245 4.480 -0.792 0.000 0.353 291 M C -1.785 174.043 176.300 -0.787 0.000 1.242 291 M CA -2.413 52.628 55.300 -0.432 0.000 1.179 291 M CB 0.489 32.996 32.600 -0.156 0.000 1.374 291 M HN 0.349 nan 8.290 nan 0.000 0.427 292 P HA -0.234 nan 4.420 nan 0.000 0.215 292 P C 0.964 178.022 177.300 -0.404 0.000 1.163 292 P CA 1.677 64.392 63.100 -0.643 0.000 0.894 292 P CB 0.268 31.684 31.700 -0.474 0.000 0.791 293 D N -0.571 119.641 120.400 -0.313 0.000 2.144 293 D HA -0.166 3.999 4.640 -0.792 0.000 0.199 293 D C 2.305 178.520 176.300 -0.141 0.000 0.984 293 D CA 0.906 54.761 54.000 -0.242 0.000 0.834 293 D CB -0.524 40.125 40.800 -0.252 0.000 0.955 293 D HN 0.020 nan 8.370 nan 0.000 0.465 294 R N 0.039 120.422 120.500 -0.195 0.000 2.075 294 R HA -0.136 3.729 4.340 -0.792 0.000 0.232 294 R C 2.006 178.234 176.300 -0.120 0.000 1.126 294 R CA 1.468 57.485 56.100 -0.139 0.000 0.963 294 R CB -0.341 29.884 30.300 -0.125 0.000 0.858 294 R HN 0.100 nan 8.270 nan 0.000 0.435 295 N N 0.687 119.239 118.700 -0.245 0.000 2.223 295 N HA -0.145 4.120 4.740 -0.792 0.000 0.185 295 N C 0.970 176.402 175.510 -0.130 0.000 1.016 295 N CA 1.448 54.375 53.050 -0.205 0.000 0.863 295 N CB -0.112 38.152 38.487 -0.372 0.000 0.983 295 N HN 0.236 nan 8.380 nan 0.000 0.429 296 N N -0.645 117.950 118.700 -0.176 0.000 2.461 296 N HA -0.036 4.229 4.740 -0.792 0.000 0.188 296 N C -0.376 174.805 175.510 -0.548 0.000 1.134 296 N CA 0.566 53.438 53.050 -0.297 0.000 0.878 296 N CB 0.031 38.311 38.487 -0.345 0.000 0.972 296 N HN 0.484 nan 8.380 nan 0.000 0.456 297 H N -1.247 117.742 119.070 -0.134 0.000 2.551 297 H HA 0.327 4.408 4.556 -0.792 0.000 0.238 297 H C 0.870 176.291 175.328 0.155 0.000 1.345 297 H CA -0.236 55.759 56.048 -0.088 0.000 1.105 297 H CB 0.214 29.712 29.762 -0.441 0.000 1.805 297 H HN 0.036 nan 8.280 nan 0.000 0.553 298 G N 0.682 109.586 108.800 0.173 0.000 2.361 298 G HA2 -0.243 3.242 3.960 -0.792 0.000 0.294 298 G HA3 -0.243 3.242 3.960 -0.792 0.000 0.294 298 G C 1.330 176.317 174.900 0.146 0.000 1.004 298 G CA 0.661 45.878 45.100 0.196 0.000 0.870 298 G HN 1.176 nan 8.290 nan 0.000 0.510 299 G N -2.856 106.004 108.800 0.101 0.000 2.153 299 G HA2 -0.320 3.165 3.960 -0.792 0.000 0.252 299 G HA3 -0.320 3.165 3.960 -0.792 0.000 0.252 299 G C 0.547 175.484 174.900 0.061 0.000 0.994 299 G CA 0.540 45.664 45.100 0.041 0.000 0.698 299 G HN 1.001 nan 8.290 nan 0.000 0.521 300 W N 0.944 122.225 121.300 -0.032 0.000 2.137 300 W HA 0.473 4.657 4.660 -0.792 0.000 0.344 300 W C 0.657 177.119 176.519 -0.095 0.000 1.286 300 W CA 0.013 57.336 57.345 -0.036 0.000 1.240 300 W CB 0.482 29.974 29.460 0.053 0.000 1.141 300 W HN 0.044 nan 8.180 nan 0.000 0.579 301 D N 1.175 121.676 120.400 0.168 0.000 2.264 301 D HA -0.038 4.127 4.640 -0.792 0.000 0.249 301 D C 0.777 177.123 176.300 0.076 0.000 1.070 301 D CA -0.311 53.713 54.000 0.040 0.000 0.912 301 D CB 0.793 41.537 40.800 -0.094 0.000 1.193 301 D HN 0.338 nan 8.370 nan 0.000 0.427 302 Y N 2.251 122.489 120.300 -0.104 0.000 1.979 302 Y HA -0.266 3.809 4.550 -0.792 0.000 0.262 302 Y C 1.948 177.803 175.900 -0.076 0.000 1.142 302 Y CA 1.796 59.837 58.100 -0.099 0.000 1.096 302 Y CB -0.645 37.773 38.460 -0.069 0.000 0.958 302 Y HN 0.398 nan 8.280 nan 0.000 0.484 303 L N -0.264 120.709 121.223 -0.416 0.000 2.046 303 L HA -0.165 3.700 4.340 -0.792 0.000 0.208 303 L C -0.304 176.209 176.870 -0.595 0.000 1.077 303 L CA 1.517 56.034 54.840 -0.538 0.000 0.747 303 L CB -1.988 39.924 42.059 -0.244 0.000 0.896 303 L HN 0.227 nan 8.230 nan 0.000 0.432 304 P HA -0.222 nan 4.420 nan 0.000 0.215 304 P C 1.266 178.239 177.300 -0.544 0.000 1.153 304 P CA 1.404 63.925 63.100 -0.965 0.000 0.853 304 P CB -0.090 30.866 31.700 -1.240 0.000 0.788 305 W N 0.016 121.041 121.300 -0.458 0.000 2.358 305 W HA -0.148 4.037 4.660 -0.792 0.000 0.303 305 W C 1.967 178.143 176.519 -0.571 0.000 1.208 305 W CA 1.055 57.998 57.345 -0.670 0.000 1.274 305 W CB -0.831 28.323 29.460 -0.510 0.000 1.138 305 W HN -0.187 nan 8.180 nan 0.000 0.515 306 L N 0.759 121.883 121.223 -0.166 0.000 2.046 306 L HA -0.192 3.673 4.340 -0.792 0.000 0.208 306 L C 2.157 178.778 176.870 -0.416 0.000 1.077 306 L CA 1.966 56.644 54.840 -0.269 0.000 0.747 306 L CB -1.276 40.670 42.059 -0.189 0.000 0.896 306 L HN 0.175 nan 8.230 nan 0.000 0.432 307 L N -0.176 120.806 121.223 -0.402 0.000 2.017 307 L HA -0.263 3.602 4.340 -0.792 0.000 0.208 307 L C 2.352 179.021 176.870 -0.335 0.000 1.073 307 L CA 1.833 56.492 54.840 -0.302 0.000 0.745 307 L CB -0.630 41.246 42.059 -0.305 0.000 0.894 307 L HN 0.302 nan 8.230 nan 0.000 0.432 308 D N -0.534 119.642 120.400 -0.373 0.000 2.123 308 D HA -0.269 3.896 4.640 -0.792 0.000 0.196 308 D C 2.191 178.145 176.300 -0.578 0.000 0.992 308 D CA 1.151 54.929 54.000 -0.369 0.000 0.833 308 D CB 0.137 40.704 40.800 -0.389 0.000 0.954 308 D HN 0.107 nan 8.370 nan 0.000 0.455 309 Q N -0.754 118.561 119.800 -0.809 0.000 2.124 309 Q HA -0.060 3.805 4.340 -0.792 0.000 0.202 309 Q C 1.773 177.435 176.000 -0.563 0.000 0.977 309 Q CA 0.971 56.285 55.803 -0.815 0.000 0.850 309 Q CB -0.178 27.846 28.738 -1.191 0.000 0.901 309 Q HN 0.289 nan 8.270 nan 0.000 0.429 310 L N 0.009 120.910 121.223 -0.536 0.000 2.109 310 L HA -0.021 3.844 4.340 -0.792 0.000 0.207 310 L C 2.319 178.703 176.870 -0.810 0.000 1.086 310 L CA 1.664 56.211 54.840 -0.490 0.000 0.760 310 L CB -0.885 41.006 42.059 -0.281 0.000 0.910 310 L HN 0.260 nan 8.230 nan 0.000 0.437 311 R N -0.388 119.434 120.500 -1.129 0.000 2.083 311 R HA -0.200 3.665 4.340 -0.792 0.000 0.237 311 R C 2.132 178.122 176.300 -0.517 0.000 1.137 311 R CA 1.680 57.106 56.100 -1.124 0.000 0.951 311 R CB -0.230 29.655 30.300 -0.691 0.000 0.851 311 R HN 0.439 nan 8.270 nan 0.000 0.434 312 Q N 0.164 119.723 119.800 -0.403 0.000 2.096 312 Q HA -0.201 3.664 4.340 -0.792 0.000 0.204 312 Q C 2.066 177.932 176.000 -0.223 0.000 0.982 312 Q CA 1.691 57.335 55.803 -0.265 0.000 0.850 312 Q CB -0.367 28.214 28.738 -0.262 0.000 0.901 312 Q HN 0.507 nan 8.270 nan 0.000 0.422 313 N N 0.955 119.503 118.700 -0.252 0.000 2.166 313 N HA -0.187 4.078 4.740 -0.792 0.000 0.186 313 N C 1.567 176.997 175.510 -0.134 0.000 1.019 313 N CA 0.954 53.900 53.050 -0.174 0.000 0.856 313 N CB -0.089 38.298 38.487 -0.168 0.000 0.993 313 N HN 0.194 nan 8.380 nan 0.000 0.426 314 N N 1.206 119.805 118.700 -0.168 0.000 2.244 314 N HA -0.076 4.189 4.740 -0.792 0.000 0.183 314 N C 1.952 177.428 175.510 -0.056 0.000 1.016 314 N CA 0.450 53.455 53.050 -0.076 0.000 0.866 314 N CB -0.267 38.202 38.487 -0.031 0.000 0.980 314 N HN 0.331 nan 8.380 nan 0.000 0.430 315 L N -0.347 120.821 121.223 -0.091 0.000 2.156 315 L HA -0.028 3.837 4.340 -0.792 0.000 0.208 315 L C 2.368 179.206 176.870 -0.052 0.000 1.095 315 L CA 0.729 55.532 54.840 -0.062 0.000 0.770 315 L CB -0.246 41.767 42.059 -0.077 0.000 0.914 315 L HN 0.127 nan 8.230 nan 0.000 0.439 316 S N -1.359 114.301 115.700 -0.065 0.000 2.395 316 S HA -0.129 3.866 4.470 -0.792 0.000 0.225 316 S C 1.909 176.486 174.600 -0.038 0.000 1.027 316 S CA 1.602 59.771 58.200 -0.052 0.000 0.965 316 S CB -0.057 63.105 63.200 -0.062 0.000 0.812 316 S HN 0.625 nan 8.310 nan 0.000 0.482 317 T N -3.172 111.359 114.554 -0.038 0.000 3.014 317 T HA 0.398 4.273 4.350 -0.792 0.000 0.250 317 T C 1.541 176.231 174.700 -0.016 0.000 1.060 317 T CA 0.978 63.062 62.100 -0.026 0.000 1.040 317 T CB 0.055 68.908 68.868 -0.025 0.000 0.971 317 T HN 0.774 nan 8.240 nan 0.000 0.497 318 G N 2.652 111.443 108.800 -0.015 0.000 2.148 318 G HA2 -0.290 3.195 3.960 -0.792 0.000 0.254 318 G HA3 -0.290 3.195 3.960 -0.792 0.000 0.254 318 G C 0.078 174.982 174.900 0.006 0.000 0.981 318 G CA 0.228 45.326 45.100 -0.003 0.000 0.670 318 G HN 1.022 nan 8.290 nan 0.000 0.528 319 R N -0.687 119.817 120.500 0.007 0.000 2.480 319 R HA 0.692 4.557 4.340 -0.792 0.000 0.306 319 R C -0.054 176.269 176.300 0.039 0.000 0.958 319 R CA -1.052 55.058 56.100 0.016 0.000 0.861 319 R CB 1.369 31.672 30.300 0.005 0.000 1.171 319 R HN 0.214 nan 8.270 nan 0.000 0.445 320 R N 3.410 123.945 120.500 0.058 0.000 2.298 320 R HA 0.099 3.964 4.340 -0.792 0.000 0.310 320 R C -0.225 176.121 176.300 0.077 0.000 1.068 320 R CA -0.396 55.767 56.100 0.103 0.000 0.957 320 R CB 0.751 31.100 30.300 0.082 0.000 1.003 320 R HN 0.697 nan 8.270 nan 0.000 0.454 321 L N 4.550 125.835 121.223 0.103 0.000 2.388 321 L HA 0.231 4.096 4.340 -0.792 0.000 0.209 321 L C 0.139 177.064 176.870 0.092 0.000 1.061 321 L CA 0.594 55.480 54.840 0.076 0.000 0.834 321 L CB -0.370 41.728 42.059 0.064 0.000 1.029 321 L HN 0.549 nan 8.230 nan 0.000 0.473 322 L N -0.532 120.771 121.223 0.133 0.000 2.282 322 L HA 0.343 4.208 4.340 -0.792 0.000 0.288 322 L C 0.612 177.492 176.870 0.018 0.000 1.033 322 L CA 0.512 55.416 54.840 0.106 0.000 0.807 322 L CB 0.839 42.995 42.059 0.161 0.000 1.209 322 L HN 0.084 nan 8.230 nan 0.000 0.423 323 D N 3.182 123.602 120.400 0.033 0.000 2.463 323 D HA 0.136 4.301 4.640 -0.792 0.000 0.237 323 D C -0.368 175.939 176.300 0.011 0.000 1.013 323 D CA 0.763 54.765 54.000 0.003 0.000 0.910 323 D CB 0.943 41.776 40.800 0.055 0.000 1.080 323 D HN 0.289 nan 8.370 nan 0.000 0.498 324 V N 2.007 121.960 119.914 0.065 0.000 2.483 324 V HA 0.247 3.892 4.120 -0.792 0.000 0.297 324 V C -0.706 175.464 176.094 0.127 0.000 1.027 324 V CA -0.932 61.409 62.300 0.069 0.000 0.855 324 V CB 2.142 33.994 31.823 0.049 0.000 0.995 324 V HN 0.025 nan 8.190 nan 0.000 0.424 325 F N 5.502 125.422 119.950 -0.050 0.000 2.438 325 F HA 0.543 4.595 4.527 -0.791 0.000 0.360 325 F C 0.667 176.439 175.800 -0.047 0.000 1.118 325 F CA -0.045 57.934 58.000 -0.036 0.000 1.164 325 F CB 0.666 39.655 39.000 -0.018 0.000 1.131 325 F HN 0.601 nan 8.300 nan 0.000 0.527 326 S N 6.421 121.954 115.700 -0.278 0.000 2.513 326 S HA 0.839 4.834 4.470 -0.792 0.000 0.299 326 S C -0.790 173.540 174.600 -0.449 0.000 1.087 326 S CA -0.472 57.515 58.200 -0.355 0.000 1.012 326 S CB 1.766 64.886 63.200 -0.133 0.000 1.044 326 S HN 0.859 nan 8.310 nan 0.000 0.485 327 V N -0.552 119.140 119.914 -0.370 0.000 3.159 327 V HA 0.725 4.370 4.120 -0.792 0.000 0.308 327 V C -1.492 174.624 176.094 0.037 0.000 1.190 327 V CA -0.972 61.177 62.300 -0.251 0.000 1.037 327 V CB 1.606 33.224 31.823 -0.341 0.000 1.060 327 V HN 1.034 nan 8.190 nan 0.000 0.437 328 H N 1.003 120.129 119.070 0.093 0.000 2.573 328 H HA 0.758 4.838 4.556 -0.792 0.000 0.351 328 H C -1.611 173.827 175.328 0.184 0.000 1.163 328 H CA -0.894 55.201 56.048 0.078 0.000 1.205 328 H CB 1.789 31.598 29.762 0.077 0.000 1.605 328 H HN 0.932 nan 8.280 nan 0.000 0.525 329 Y N 1.588 121.910 120.300 0.036 0.000 2.358 329 Y HA 0.333 4.409 4.550 -0.790 0.000 0.324 329 Y C -2.101 173.652 175.900 -0.245 0.000 1.123 329 Y CA -0.660 57.464 58.100 0.039 0.000 1.067 329 Y CB 0.903 39.464 38.460 0.167 0.000 1.230 329 Y HN 0.524 nan 8.280 nan 0.000 0.429 330 Y N 6.842 126.734 120.300 -0.679 0.000 2.425 330 Y HA 0.543 4.620 4.550 -0.788 0.000 0.344 330 Y C -2.298 173.025 175.900 -0.962 0.000 0.969 330 Y CA -2.434 55.239 58.100 -0.712 0.000 1.052 330 Y CB 1.886 39.987 38.460 -0.598 0.000 1.215 330 Y HN 0.429 nan 8.280 nan 0.000 0.451 331 P HA -0.006 nan 4.420 nan 0.000 0.269 331 P C -0.432 176.721 177.300 -0.245 0.000 1.209 331 P CA -0.012 62.765 63.100 -0.538 0.000 0.776 331 P CB 1.165 32.440 31.700 -0.709 0.000 0.876 332 Q N 1.127 120.852 119.800 -0.125 0.000 2.282 332 Q HA 0.105 3.970 4.340 -0.792 0.000 0.206 332 Q C 1.872 177.922 176.000 0.084 0.000 0.878 332 Q CA 0.419 56.246 55.803 0.039 0.000 0.944 332 Q CB -0.019 28.752 28.738 0.054 0.000 1.100 332 Q HN 0.674 nan 8.270 nan 0.000 0.509 333 G N 0.198 109.023 108.800 0.041 0.000 2.956 333 G HA2 0.216 3.701 3.960 -0.792 0.000 0.207 333 G HA3 0.216 3.701 3.960 -0.792 0.000 0.207 333 G C 0.947 175.893 174.900 0.077 0.000 1.162 333 G CA 0.453 45.594 45.100 0.068 0.000 0.796 333 G HN 0.429 nan 8.290 nan 0.000 0.527 334 G N 0.524 109.372 108.800 0.079 0.000 2.159 334 G HA2 -0.273 3.212 3.960 -0.792 0.000 0.227 334 G HA3 -0.273 3.212 3.960 -0.792 0.000 0.227 334 G C 1.064 176.010 174.900 0.078 0.000 0.986 334 G CA 0.543 45.689 45.100 0.077 0.000 0.651 334 G HN 0.572 nan 8.290 nan 0.000 0.523 335 E N -0.081 120.171 120.200 0.086 0.000 2.285 335 E HA 0.020 3.895 4.350 -0.792 0.000 0.194 335 E C 1.117 177.810 176.600 0.155 0.000 0.997 335 E CA -0.128 56.339 56.400 0.111 0.000 0.845 335 E CB -0.176 29.615 29.700 0.152 0.000 0.782 335 E HN 0.675 nan 8.360 nan 0.000 0.491 336 F N 1.852 121.787 119.950 -0.025 0.000 2.512 336 F HA 0.352 4.403 4.527 -0.793 0.000 0.350 336 F C 0.649 176.464 175.800 0.026 0.000 1.212 336 F CA 0.535 58.541 58.000 0.011 0.000 1.099 336 F CB -0.057 38.933 39.000 -0.016 0.000 1.238 336 F HN 0.138 nan 8.300 nan 0.000 0.600 337 G N 4.302 112.968 108.800 -0.223 0.000 2.398 337 G HA2 -0.073 3.412 3.960 -0.792 0.000 0.251 337 G HA3 -0.073 3.412 3.960 -0.792 0.000 0.251 337 G C -0.817 174.022 174.900 -0.102 0.000 1.277 337 G CA -0.705 44.235 45.100 -0.267 0.000 0.927 337 G HN 0.461 nan 8.290 nan 0.000 0.477 338 N N 0.385 119.044 118.700 -0.069 0.000 2.282 338 N HA 0.198 4.463 4.740 -0.792 0.000 0.240 338 N C -0.906 174.595 175.510 -0.015 0.000 1.182 338 N CA -0.340 52.697 53.050 -0.023 0.000 0.874 338 N CB 1.068 39.546 38.487 -0.015 0.000 1.126 338 N HN 0.391 nan 8.380 nan 0.000 0.516 339 D N 1.729 122.118 120.400 -0.018 0.000 2.346 339 D HA -0.007 4.158 4.640 -0.792 0.000 0.260 339 D C 0.378 176.652 176.300 -0.043 0.000 1.252 339 D CA 0.373 54.364 54.000 -0.016 0.000 0.895 339 D CB 0.619 41.418 40.800 -0.001 0.000 1.097 339 D HN 0.219 nan 8.370 nan 0.000 0.489 340 T N 0.117 114.629 114.554 -0.070 0.000 3.275 340 T HA 0.227 4.102 4.350 -0.792 0.000 0.265 340 T C 0.679 175.313 174.700 -0.109 0.000 0.978 340 T CA -0.694 61.295 62.100 -0.185 0.000 0.923 340 T CB -0.434 68.235 68.868 -0.333 0.000 1.126 340 T HN 0.232 nan 8.240 nan 0.000 0.538 341 S N 0.326 116.002 115.700 -0.041 0.000 2.600 341 S HA 0.348 4.343 4.470 -0.792 0.000 0.265 341 S C 1.424 176.023 174.600 -0.002 0.000 1.325 341 S CA -0.462 57.735 58.200 -0.005 0.000 1.002 341 S CB 1.184 64.389 63.200 0.010 0.000 0.921 341 S HN 0.184 nan 8.310 nan 0.000 0.554 342 S N 1.355 117.068 115.700 0.022 0.000 2.359 342 S HA -0.111 3.884 4.470 -0.792 0.000 0.224 342 S C 2.324 176.943 174.600 0.033 0.000 1.035 342 S CA 1.324 59.544 58.200 0.033 0.000 1.018 342 S CB -1.208 62.019 63.200 0.044 0.000 0.876 342 S HN 0.915 nan 8.310 nan 0.000 0.448 343 A N 1.184 124.024 122.820 0.033 0.000 1.892 343 A HA -0.187 3.658 4.320 -0.792 0.000 0.218 343 A C 2.130 179.739 177.584 0.042 0.000 1.188 343 A CA 2.131 54.191 52.037 0.038 0.000 0.631 343 A CB -0.664 18.358 19.000 0.036 0.000 0.822 343 A HN 0.459 nan 8.150 nan 0.000 0.447 344 M N -0.089 119.531 119.600 0.034 0.000 2.159 344 M HA -0.155 3.849 4.480 -0.792 0.000 0.263 344 M C 2.112 178.442 176.300 0.049 0.000 1.063 344 M CA 1.784 57.110 55.300 0.043 0.000 1.110 344 M CB -0.703 31.913 32.600 0.026 0.000 1.374 344 M HN 0.545 nan 8.290 nan 0.000 0.411 345 Q N -0.757 119.056 119.800 0.022 0.000 2.084 345 Q HA -0.180 3.685 4.340 -0.792 0.000 0.202 345 Q C 1.915 177.948 176.000 0.054 0.000 0.978 345 Q CA 1.266 57.085 55.803 0.027 0.000 0.844 345 Q CB -0.375 28.369 28.738 0.010 0.000 0.898 345 Q HN 0.349 nan 8.270 nan 0.000 0.426 346 L N 0.790 122.043 121.223 0.049 0.000 2.083 346 L HA -0.167 3.698 4.340 -0.792 0.000 0.209 346 L C 2.371 179.276 176.870 0.058 0.000 1.083 346 L CA 1.681 56.548 54.840 0.045 0.000 0.752 346 L CB -0.843 41.242 42.059 0.043 0.000 0.899 346 L HN 0.172 nan 8.230 nan 0.000 0.433 347 R N -0.534 120.014 120.500 0.080 0.000 2.081 347 R HA -0.131 3.734 4.340 -0.792 0.000 0.235 347 R C 2.355 178.746 176.300 0.153 0.000 1.131 347 R CA 1.169 57.337 56.100 0.112 0.000 0.960 347 R CB -0.066 30.305 30.300 0.117 0.000 0.856 347 R HN 0.270 nan 8.270 nan 0.000 0.436 348 R N 0.158 120.759 120.500 0.169 0.000 2.120 348 R HA -0.073 3.792 4.340 -0.792 0.000 0.234 348 R C 1.801 178.172 176.300 0.118 0.000 1.123 348 R CA 1.338 57.581 56.100 0.240 0.000 0.975 348 R CB -0.329 30.110 30.300 0.232 0.000 0.866 348 R HN 0.341 nan 8.270 nan 0.000 0.446 349 N N 0.555 119.292 118.700 0.060 0.000 2.244 349 N HA -0.108 4.157 4.740 -0.792 0.000 0.183 349 N C 1.621 177.112 175.510 -0.032 0.000 1.016 349 N CA 1.162 54.212 53.050 -0.001 0.000 0.866 349 N CB -0.024 38.451 38.487 -0.020 0.000 0.980 349 N HN 0.305 nan 8.380 nan 0.000 0.430 350 R N 0.124 120.614 120.500 -0.017 0.000 2.072 350 R HA 0.104 3.969 4.340 -0.792 0.000 0.214 350 R C 2.224 178.411 176.300 -0.188 0.000 1.168 350 R CA 0.995 57.029 56.100 -0.110 0.000 1.020 350 R CB -0.534 29.735 30.300 -0.052 0.000 0.914 350 R HN 0.230 nan 8.270 nan 0.000 0.449 351 S N 0.561 116.298 115.700 0.062 0.000 2.461 351 S HA -0.211 3.784 4.470 -0.792 0.000 0.249 351 S C 1.844 176.592 174.600 0.248 0.000 1.012 351 S CA 1.929 60.281 58.200 0.253 0.000 0.982 351 S CB -0.689 62.781 63.200 0.450 0.000 0.764 351 S HN 0.227 nan 8.310 nan 0.000 0.506 352 T N 1.262 115.830 114.554 0.022 0.000 3.007 352 T HA 0.054 3.929 4.350 -0.792 0.000 0.270 352 T C 1.827 176.451 174.700 -0.126 0.000 1.107 352 T CA 0.909 62.888 62.100 -0.201 0.000 1.118 352 T CB -0.341 68.326 68.868 -0.336 0.000 0.889 352 T HN 0.544 nan 8.240 nan 0.000 0.506 353 R N 0.402 120.704 120.500 -0.329 0.000 2.120 353 R HA 0.006 3.871 4.340 -0.792 0.000 0.234 353 R C 2.654 178.601 176.300 -0.588 0.000 1.123 353 R CA 1.287 56.943 56.100 -0.741 0.000 0.975 353 R CB -0.232 29.337 30.300 -1.218 0.000 0.866 353 R HN 0.231 nan 8.270 nan 0.000 0.446 354 S N 1.010 116.627 115.700 -0.139 0.000 2.462 354 S HA -0.089 3.906 4.470 -0.792 0.000 0.243 354 S C 1.619 176.108 174.600 -0.186 0.000 1.003 354 S CA 0.882 59.063 58.200 -0.032 0.000 0.970 354 S CB -0.093 63.185 63.200 0.130 0.000 0.762 354 S HN 0.275 nan 8.310 nan 0.000 0.510 355 L N 0.011 121.147 121.223 -0.144 0.000 2.446 355 L HA 0.088 3.953 4.340 -0.792 0.000 0.219 355 L C 2.044 178.951 176.870 0.061 0.000 1.116 355 L CA 0.434 55.237 54.840 -0.061 0.000 0.844 355 L CB -0.114 41.957 42.059 0.021 0.000 0.970 355 L HN 0.647 nan 8.230 nan 0.000 0.457 356 W N -2.893 118.349 121.300 -0.096 0.000 3.184 356 W HA 0.237 4.422 4.660 -0.792 0.000 0.182 356 W C -0.121 176.367 176.519 -0.050 0.000 0.992 356 W CA -0.275 57.027 57.345 -0.072 0.000 1.342 356 W CB -0.114 29.314 29.460 -0.054 0.000 0.673 356 W HN -0.147 nan 8.180 nan 0.000 0.830 357 D N 5.606 125.301 120.400 -1.174 0.000 2.338 357 D HA 0.139 4.304 4.640 -0.792 0.000 0.255 357 D C -0.987 175.081 176.300 -0.388 0.000 1.237 357 D CA -1.858 51.524 54.000 -1.029 0.000 0.883 357 D CB 1.739 41.598 40.800 -1.567 0.000 1.087 357 D HN -0.113 nan 8.370 nan 0.000 0.485 358 P HA -0.054 nan 4.420 nan 0.000 0.230 358 P C -0.144 177.104 177.300 -0.088 0.000 1.158 358 P CA 0.696 63.736 63.100 -0.101 0.000 0.769 358 P CB 0.326 32.002 31.700 -0.040 0.000 0.807 359 N N -2.131 116.511 118.700 -0.097 0.000 2.187 359 N HA 0.037 4.302 4.740 -0.792 0.000 0.212 359 N C -0.365 175.116 175.510 -0.049 0.000 1.152 359 N CA -0.405 52.608 53.050 -0.063 0.000 0.872 359 N CB -0.046 38.418 38.487 -0.038 0.000 1.025 359 N HN 0.061 nan 8.380 nan 0.000 0.514 360 Y N 2.113 122.274 120.300 -0.232 0.000 2.383 360 Y HA 0.401 4.476 4.550 -0.792 0.000 0.344 360 Y C -0.479 175.297 175.900 -0.207 0.000 0.986 360 Y CA -1.119 56.843 58.100 -0.230 0.000 1.175 360 Y CB 0.212 38.479 38.460 -0.322 0.000 1.152 360 Y HN -0.063 nan 8.280 nan 0.000 0.511 361 I N 6.157 126.321 120.570 -0.677 0.000 2.352 361 I HA 0.052 3.747 4.170 -0.792 0.000 0.290 361 I C 0.023 175.550 176.117 -0.983 0.000 1.036 361 I CA -0.418 60.504 61.300 -0.629 0.000 1.336 361 I CB 0.534 38.308 38.000 -0.376 0.000 1.407 361 I HN 0.620 nan 8.210 nan 0.000 0.497 362 D N 6.089 126.014 120.400 -0.791 0.000 2.487 362 D HA -0.056 4.109 4.640 -0.792 0.000 0.243 362 D C 0.216 176.245 176.300 -0.453 0.000 1.154 362 D CA 0.376 53.995 54.000 -0.635 0.000 0.876 362 D CB 0.675 41.189 40.800 -0.477 0.000 1.161 362 D HN 0.454 nan 8.370 nan 0.000 0.478 363 E N 2.587 122.610 120.200 -0.295 0.000 2.773 363 E HA 0.142 4.016 4.350 -0.792 0.000 0.302 363 E C 0.049 176.584 176.600 -0.109 0.000 1.574 363 E CA -0.173 56.135 56.400 -0.154 0.000 1.775 363 E CB -0.334 29.346 29.700 -0.033 0.000 1.413 363 E HN 0.494 nan 8.360 nan 0.000 0.471 364 T N -3.677 110.765 114.554 -0.187 0.000 2.671 364 T HA 0.097 3.972 4.350 -0.792 0.000 0.300 364 T C 0.743 175.334 174.700 -0.182 0.000 1.238 364 T CA -1.048 60.959 62.100 -0.156 0.000 1.020 364 T CB 0.205 68.912 68.868 -0.269 0.000 1.503 364 T HN 0.371 nan 8.240 nan 0.000 0.497 365 W N 0.341 121.609 121.300 -0.053 0.000 2.341 365 W HA -0.072 4.114 4.660 -0.790 0.000 0.283 365 W C 1.363 177.837 176.519 -0.074 0.000 1.215 365 W CA 0.740 58.059 57.345 -0.043 0.000 1.211 365 W CB -1.355 28.101 29.460 -0.008 0.000 1.131 365 W HN 0.573 nan 8.180 nan 0.000 0.552 366 I N 2.183 122.131 120.570 -1.036 0.000 2.208 366 I HA -0.330 3.365 4.170 -0.792 0.000 0.245 366 I C 1.203 176.986 176.117 -0.556 0.000 1.097 366 I CA 2.008 62.639 61.300 -1.114 0.000 1.363 366 I CB -1.183 35.945 38.000 -1.454 0.000 1.051 366 I HN -0.004 nan 8.210 nan 0.000 0.413 367 N N 2.009 120.443 118.700 -0.443 0.000 2.678 367 N HA -0.233 4.032 4.740 -0.792 0.000 0.268 367 N C -0.813 174.533 175.510 -0.273 0.000 1.010 367 N CA 1.008 53.886 53.050 -0.287 0.000 0.784 367 N CB -0.712 37.693 38.487 -0.137 0.000 0.905 367 N HN 0.553 nan 8.380 nan 0.000 0.552 368 D N -0.450 119.712 120.400 -0.396 0.000 2.710 368 D HA 0.273 4.438 4.640 -0.792 0.000 0.276 368 D C -1.310 174.754 176.300 -0.394 0.000 1.267 368 D CA -0.574 53.242 54.000 -0.307 0.000 0.772 368 D CB 0.714 41.399 40.800 -0.192 0.000 1.299 368 D HN 0.205 nan 8.370 nan 0.000 0.421 369 K N 1.489 121.743 120.400 -0.244 0.000 2.231 369 K HA 0.287 4.132 4.320 -0.792 0.000 0.275 369 K C 1.289 177.779 176.600 -0.184 0.000 1.105 369 K CA -0.375 55.779 56.287 -0.222 0.000 0.931 369 K CB 1.379 33.801 32.500 -0.130 0.000 1.296 369 K HN 0.291 nan 8.250 nan 0.000 0.446 370 V N 1.116 120.851 119.914 -0.298 0.000 2.649 370 V HA -0.179 3.466 4.120 -0.792 0.000 0.248 370 V C 0.826 176.862 176.094 -0.096 0.000 1.054 370 V CA 0.518 62.701 62.300 -0.195 0.000 1.073 370 V CB -1.038 30.578 31.823 -0.345 0.000 0.699 370 V HN 0.978 nan 8.190 nan 0.000 0.463 371 Q N 0.361 120.069 119.800 -0.153 0.000 2.383 371 Q HA -0.277 3.588 4.340 -0.792 0.000 0.370 371 Q C 0.896 176.804 176.000 -0.153 0.000 1.315 371 Q CA 1.082 56.792 55.803 -0.154 0.000 1.158 371 Q CB -2.027 26.636 28.738 -0.125 0.000 1.352 371 Q HN 0.683 nan 8.270 nan 0.000 0.346 372 L N 0.500 121.609 121.223 -0.191 0.000 1.987 372 L HA -0.313 3.551 4.340 -0.792 0.000 0.230 372 L C 2.351 179.086 176.870 -0.226 0.000 1.089 372 L CA 2.747 57.447 54.840 -0.234 0.000 0.802 372 L CB -0.430 41.449 42.059 -0.301 0.000 0.905 372 L HN 0.708 nan 8.230 nan 0.000 0.441 373 I N -0.574 119.906 120.570 -0.149 0.000 2.163 373 I HA -0.246 3.449 4.170 -0.792 0.000 0.243 373 I C -0.420 175.624 176.117 -0.123 0.000 1.085 373 I CA 1.395 62.616 61.300 -0.131 0.000 1.347 373 I CB -1.697 36.264 38.000 -0.064 0.000 1.044 373 I HN 0.277 nan 8.210 nan 0.000 0.408 374 P HA -0.159 nan 4.420 nan 0.000 0.217 374 P C 1.593 178.799 177.300 -0.157 0.000 1.150 374 P CA 1.324 64.372 63.100 -0.087 0.000 0.832 374 P CB -0.130 31.543 31.700 -0.045 0.000 0.787 375 R N 0.093 120.441 120.500 -0.254 0.000 2.073 375 R HA -0.101 3.764 4.340 -0.792 0.000 0.234 375 R C 2.109 178.071 176.300 -0.563 0.000 1.134 375 R CA 1.405 57.207 56.100 -0.497 0.000 0.952 375 R CB -0.927 29.005 30.300 -0.613 0.000 0.850 375 R HN 0.149 nan 8.270 nan 0.000 0.433 376 L N 0.637 121.651 121.223 -0.349 0.000 2.046 376 L HA -0.163 3.702 4.340 -0.792 0.000 0.208 376 L C 2.603 179.518 176.870 0.074 0.000 1.077 376 L CA 1.561 56.357 54.840 -0.074 0.000 0.747 376 L CB -0.426 41.554 42.059 -0.133 0.000 0.896 376 L HN 0.187 nan 8.230 nan 0.000 0.432 377 K N -0.033 120.352 120.400 -0.025 0.000 2.057 377 K HA -0.201 3.644 4.320 -0.792 0.000 0.207 377 K C 1.937 178.554 176.600 0.029 0.000 1.049 377 K CA 1.715 58.003 56.287 0.001 0.000 0.931 377 K CB -0.216 32.257 32.500 -0.045 0.000 0.714 377 K HN 0.187 nan 8.250 nan 0.000 0.440 378 N N 0.105 118.806 118.700 0.003 0.000 2.142 378 N HA -0.163 4.102 4.740 -0.792 0.000 0.186 378 N C 1.382 177.008 175.510 0.193 0.000 1.023 378 N CA 1.098 54.174 53.050 0.043 0.000 0.852 378 N CB -0.045 38.446 38.487 0.006 0.000 0.998 378 N HN 0.185 nan 8.380 nan 0.000 0.424 379 W N 0.432 121.785 121.300 0.087 0.000 2.363 379 W HA 0.009 4.194 4.660 -0.793 0.000 0.296 379 W C 2.226 178.798 176.519 0.089 0.000 1.212 379 W CA 0.370 57.826 57.345 0.185 0.000 1.260 379 W CB -1.035 28.553 29.460 0.214 0.000 1.131 379 W HN -0.052 nan 8.180 nan 0.000 0.530 380 V N -0.278 119.789 119.914 0.255 0.000 2.307 380 V HA -0.265 3.380 4.120 -0.792 0.000 0.245 380 V C 2.491 178.617 176.094 0.053 0.000 1.045 380 V CA 2.230 64.589 62.300 0.099 0.000 1.024 380 V CB -1.184 30.685 31.823 0.077 0.000 0.651 380 V HN 0.197 nan 8.190 nan 0.000 0.449 381 S N -0.727 114.992 115.700 0.031 0.000 2.399 381 S HA -0.199 3.796 4.470 -0.792 0.000 0.231 381 S C 1.954 176.511 174.600 -0.071 0.000 1.022 381 S CA 2.332 60.523 58.200 -0.015 0.000 0.983 381 S CB -0.259 62.929 63.200 -0.020 0.000 0.803 381 S HN 0.693 nan 8.310 nan 0.000 0.480 382 T N -0.300 114.160 114.554 -0.157 0.000 2.976 382 T HA 0.166 4.041 4.350 -0.792 0.000 0.257 382 T C 0.851 175.205 174.700 -0.576 0.000 1.051 382 T CA 0.858 62.700 62.100 -0.430 0.000 1.141 382 T CB -0.193 68.257 68.868 -0.696 0.000 0.881 382 T HN 0.616 nan 8.240 nan 0.000 0.461 383 Y N -1.256 119.080 120.300 0.061 0.000 2.430 383 Y HA 0.413 4.489 4.550 -0.791 0.000 0.248 383 Y C 0.499 176.425 175.900 0.042 0.000 1.108 383 Y CA -0.680 57.435 58.100 0.024 0.000 1.264 383 Y CB 0.869 39.311 38.460 -0.030 0.000 1.172 383 Y HN 0.187 nan 8.280 nan 0.000 0.520 384 Y N 1.141 121.433 120.300 -0.012 0.000 2.632 384 Y HA 0.270 4.344 4.550 -0.792 0.000 0.291 384 Y C -3.082 172.792 175.900 -0.043 0.000 1.098 384 Y CA -2.494 55.575 58.100 -0.052 0.000 1.271 384 Y CB 0.828 39.227 38.460 -0.103 0.000 1.120 384 Y HN -0.103 nan 8.280 nan 0.000 0.574 385 P HA 0.047 nan 4.420 nan 0.000 0.266 385 P C 0.758 178.029 177.300 -0.049 0.000 1.186 385 P CA 2.973 66.092 63.100 0.033 0.000 0.767 385 P CB 0.687 32.412 31.700 0.043 0.000 0.820 386 G N 1.122 109.875 108.800 -0.078 0.000 2.225 386 G HA2 -0.227 3.258 3.960 -0.792 0.000 0.254 386 G HA3 -0.227 3.258 3.960 -0.792 0.000 0.254 386 G C 0.266 175.058 174.900 -0.180 0.000 0.988 386 G CA 0.214 45.251 45.100 -0.106 0.000 0.625 386 G HN 0.619 nan 8.290 nan 0.000 0.527 387 T N 2.559 116.946 114.554 -0.278 0.000 2.832 387 T HA 0.566 4.441 4.350 -0.792 0.000 0.296 387 T C 1.063 175.701 174.700 -0.103 0.000 0.968 387 T CA -0.255 61.669 62.100 -0.293 0.000 1.107 387 T CB 1.406 70.001 68.868 -0.455 0.000 0.916 387 T HN 0.353 nan 8.240 nan 0.000 0.517 388 L N 2.005 123.195 121.223 -0.055 0.000 2.476 388 L HA 0.390 4.255 4.340 -0.792 0.000 0.255 388 L C 1.078 177.964 176.870 0.028 0.000 1.218 388 L CA -0.361 54.471 54.840 -0.013 0.000 0.819 388 L CB 0.449 42.506 42.059 -0.004 0.000 1.119 388 L HN 0.526 nan 8.230 nan 0.000 0.485 389 T N 0.144 114.692 114.554 -0.011 0.000 2.863 389 T HA 0.777 4.652 4.350 -0.792 0.000 0.285 389 T C -1.065 173.553 174.700 -0.136 0.000 1.009 389 T CA -0.361 61.719 62.100 -0.033 0.000 0.989 389 T CB 1.515 70.362 68.868 -0.034 0.000 1.004 389 T HN 0.733 nan 8.240 nan 0.000 0.455 390 A N 3.524 126.225 122.820 -0.199 0.000 2.604 390 A HA 0.759 4.604 4.320 -0.792 0.000 0.295 390 A C -1.512 175.923 177.584 -0.249 0.000 1.067 390 A CA -0.642 51.253 52.037 -0.237 0.000 0.683 390 A CB 1.194 20.084 19.000 -0.184 0.000 1.281 390 A HN 0.786 nan 8.150 nan 0.000 0.407 391 I N 2.503 122.932 120.570 -0.235 0.000 2.555 391 I HA 0.184 3.879 4.170 -0.792 0.000 0.275 391 I C 1.202 177.342 176.117 0.039 0.000 1.082 391 I CA -0.237 61.002 61.300 -0.103 0.000 1.167 391 I CB 1.582 39.485 38.000 -0.161 0.000 1.312 391 I HN 0.814 nan 8.210 nan 0.000 0.493 392 T N 0.240 114.856 114.554 0.104 0.000 3.215 392 T HA 0.187 4.062 4.350 -0.792 0.000 0.254 392 T C 0.467 175.180 174.700 0.021 0.000 1.149 392 T CA 0.352 62.518 62.100 0.109 0.000 1.042 392 T CB -0.101 68.859 68.868 0.155 0.000 0.966 392 T HN 0.532 nan 8.240 nan 0.000 0.534 393 E N 0.134 120.338 120.200 0.007 0.000 2.481 393 E HA 0.449 4.324 4.350 -0.792 0.000 0.301 393 E C -1.902 174.569 176.600 -0.215 0.000 0.948 393 E CA -1.029 55.230 56.400 -0.236 0.000 0.804 393 E CB 1.888 31.076 29.700 -0.853 0.000 1.265 393 E HN 0.508 nan 8.360 nan 0.000 0.406 394 Y N 0.906 121.038 120.300 -0.280 0.000 2.641 394 Y HA 0.668 4.744 4.550 -0.790 0.000 0.333 394 Y C -1.742 174.138 175.900 -0.033 0.000 1.174 394 Y CA -1.005 56.895 58.100 -0.333 0.000 1.057 394 Y CB 1.554 40.122 38.460 0.180 0.000 1.322 394 Y HN 0.465 nan 8.280 nan 0.000 0.457 395 N N 1.747 120.552 118.700 0.175 0.000 2.929 395 N HA 0.125 4.390 4.740 -0.792 0.000 0.245 395 N C -1.395 174.421 175.510 0.509 0.000 1.081 395 N CA -0.592 52.708 53.050 0.416 0.000 1.048 395 N CB 1.032 39.836 38.487 0.527 0.000 1.629 395 N HN 0.898 nan 8.380 nan 0.000 0.598 396 W N 3.809 125.349 121.300 0.400 0.000 3.278 396 W HA 0.277 4.464 4.660 -0.789 0.000 0.308 396 W C 0.910 177.632 176.519 0.339 0.000 1.253 396 W CA 1.092 58.645 57.345 0.347 0.000 1.759 396 W CB 0.333 29.936 29.460 0.239 0.000 1.093 396 W HN 0.858 nan 8.180 nan 0.000 0.648 397 G N 0.669 109.775 108.800 0.511 0.000 2.782 397 G HA2 -0.029 3.456 3.960 -0.792 0.000 0.228 397 G HA3 -0.029 3.456 3.960 -0.792 0.000 0.228 397 G C 0.549 175.587 174.900 0.229 0.000 1.372 397 G CA -0.044 45.243 45.100 0.313 0.000 0.862 397 G HN 1.024 nan 8.290 nan 0.000 0.547 398 A N -1.374 121.529 122.820 0.137 0.000 2.791 398 A HA -0.183 3.662 4.320 -0.792 0.000 0.292 398 A C 1.476 179.161 177.584 0.168 0.000 1.487 398 A CA 2.422 54.534 52.037 0.125 0.000 0.760 398 A CB -1.859 17.198 19.000 0.094 0.000 1.031 398 A HN 1.532 nan 8.150 nan 0.000 0.503 399 E N 0.260 120.551 120.200 0.152 0.000 2.097 399 E HA -0.226 3.649 4.350 -0.792 0.000 0.196 399 E C 2.087 178.772 176.600 0.141 0.000 1.000 399 E CA 1.627 58.119 56.400 0.152 0.000 0.804 399 E CB -0.204 29.575 29.700 0.132 0.000 0.740 399 E HN 1.277 nan 8.360 nan 0.000 0.454 400 S N -0.005 115.772 115.700 0.128 0.000 2.603 400 S HA -0.044 3.951 4.470 -0.792 0.000 0.220 400 S C 0.513 175.194 174.600 0.135 0.000 0.967 400 S CA -0.104 58.161 58.200 0.109 0.000 0.920 400 S CB 0.014 63.262 63.200 0.080 0.000 0.773 400 S HN 0.201 nan 8.310 nan 0.000 0.529 401 H N 0.310 119.421 119.070 0.069 0.000 2.529 401 H HA 0.399 4.480 4.556 -0.792 0.000 0.348 401 H C 0.863 176.236 175.328 0.075 0.000 1.152 401 H CA -0.819 55.269 56.048 0.067 0.000 1.202 401 H CB 1.659 31.462 29.762 0.067 0.000 1.562 401 H HN 0.146 nan 8.280 nan 0.000 0.515 402 I N 3.762 124.341 120.570 0.014 0.000 2.315 402 I HA -0.274 3.421 4.170 -0.792 0.000 0.251 402 I C 2.100 178.365 176.117 0.247 0.000 1.125 402 I CA 1.463 62.826 61.300 0.105 0.000 1.392 402 I CB -0.663 37.337 38.000 -0.001 0.000 1.065 402 I HN 0.705 nan 8.210 nan 0.000 0.424 403 N N 0.033 119.026 118.700 0.487 0.000 2.223 403 N HA -0.146 4.118 4.740 -0.792 0.000 0.185 403 N C 1.965 177.590 175.510 0.191 0.000 1.016 403 N CA 1.168 54.375 53.050 0.262 0.000 0.863 403 N CB -0.231 38.334 38.487 0.129 0.000 0.983 403 N HN 0.524 nan 8.380 nan 0.000 0.429 404 G N 0.184 109.116 108.800 0.221 0.000 2.403 404 G HA2 -0.058 3.427 3.960 -0.792 0.000 0.216 404 G HA3 -0.058 3.427 3.960 -0.792 0.000 0.216 404 G C 1.581 176.580 174.900 0.164 0.000 1.154 404 G CA 0.743 45.962 45.100 0.197 0.000 0.784 404 G HN 0.439 nan 8.290 nan 0.000 0.538 405 A N 1.072 123.982 122.820 0.149 0.000 1.873 405 A HA -0.011 3.834 4.320 -0.792 0.000 0.215 405 A C 2.666 180.301 177.584 0.084 0.000 1.186 405 A CA 2.622 54.728 52.037 0.114 0.000 0.616 405 A CB -1.143 17.921 19.000 0.107 0.000 0.823 405 A HN 0.481 nan 8.150 nan 0.000 0.442 406 T N -2.813 111.792 114.554 0.085 0.000 2.788 406 T HA -0.142 3.733 4.350 -0.792 0.000 0.268 406 T C 1.778 176.490 174.700 0.019 0.000 1.044 406 T CA 2.103 64.237 62.100 0.057 0.000 1.139 406 T CB -1.011 67.895 68.868 0.063 0.000 0.867 406 T HN 0.331 nan 8.240 nan 0.000 0.454 407 T N 1.585 116.155 114.554 0.026 0.000 2.777 407 T HA -0.086 3.789 4.350 -0.792 0.000 0.266 407 T C 2.046 176.673 174.700 -0.121 0.000 1.040 407 T CA 1.453 63.524 62.100 -0.049 0.000 1.141 407 T CB -0.422 68.467 68.868 0.034 0.000 0.868 407 T HN 0.417 nan 8.240 nan 0.000 0.444 408 Q N 1.638 121.426 119.800 -0.021 0.000 2.084 408 Q HA 0.060 3.925 4.340 -0.792 0.000 0.202 408 Q C 2.261 178.165 176.000 -0.159 0.000 0.978 408 Q CA 1.866 57.644 55.803 -0.043 0.000 0.844 408 Q CB -0.748 28.031 28.738 0.068 0.000 0.898 408 Q HN 0.486 nan 8.270 nan 0.000 0.426 409 A N 0.015 122.797 122.820 -0.064 0.000 1.969 409 A HA -0.176 3.669 4.320 -0.792 0.000 0.218 409 A C 1.906 179.382 177.584 -0.181 0.000 1.169 409 A CA 1.748 53.791 52.037 0.011 0.000 0.635 409 A CB -0.858 18.220 19.000 0.129 0.000 0.810 409 A HN 0.558 nan 8.150 nan 0.000 0.445 410 D N -0.081 120.198 120.400 -0.201 0.000 2.117 410 D HA -0.102 4.063 4.640 -0.792 0.000 0.198 410 D C 1.737 177.688 176.300 -0.583 0.000 0.982 410 D CA 1.322 55.169 54.000 -0.255 0.000 0.828 410 D CB -0.203 40.515 40.800 -0.137 0.000 0.967 410 D HN 0.477 nan 8.370 nan 0.000 0.464 411 I N 0.092 120.265 120.570 -0.661 0.000 2.179 411 I HA -0.250 3.445 4.170 -0.792 0.000 0.242 411 I C 2.395 177.708 176.117 -1.341 0.000 1.088 411 I CA 0.702 61.393 61.300 -1.014 0.000 1.357 411 I CB -0.264 37.124 38.000 -1.021 0.000 1.051 411 I HN 0.108 nan 8.210 nan 0.000 0.409 412 L N 0.438 121.009 121.223 -1.088 0.000 2.079 412 L HA -0.167 3.698 4.340 -0.792 0.000 0.210 412 L C 2.672 178.920 176.870 -1.037 0.000 1.081 412 L CA 1.621 55.819 54.840 -1.069 0.000 0.752 412 L CB -1.164 40.215 42.059 -1.133 0.000 0.896 412 L HN 0.353 nan 8.230 nan 0.000 0.433 413 G N 0.213 108.278 108.800 -1.224 0.000 2.404 413 G HA2 -0.196 3.289 3.960 -0.792 0.000 0.215 413 G HA3 -0.196 3.289 3.960 -0.792 0.000 0.215 413 G C 1.586 175.786 174.900 -1.168 0.000 1.174 413 G CA 0.553 44.716 45.100 -1.563 0.000 0.780 413 G HN 0.263 nan 8.290 nan 0.000 0.537 414 I N 0.207 120.179 120.570 -0.996 0.000 2.163 414 I HA -0.179 3.516 4.170 -0.792 0.000 0.243 414 I C 2.513 178.552 176.117 -0.129 0.000 1.085 414 I CA 0.845 61.922 61.300 -0.372 0.000 1.347 414 I CB -0.303 37.514 38.000 -0.306 0.000 1.044 414 I HN 0.014 nan 8.210 nan 0.000 0.408 415 F N 1.204 120.919 119.950 -0.390 0.000 2.065 415 F HA -0.183 3.868 4.527 -0.793 0.000 0.298 415 F C 2.605 178.269 175.800 -0.227 0.000 1.112 415 F CA 1.447 59.250 58.000 -0.328 0.000 1.212 415 F CB -1.826 36.910 39.000 -0.441 0.000 0.975 415 F HN 0.072 nan 8.300 nan 0.000 0.476 416 G N -0.981 107.804 108.800 -0.025 0.000 2.408 416 G HA2 -0.224 3.261 3.960 -0.792 0.000 0.217 416 G HA3 -0.224 3.261 3.960 -0.792 0.000 0.217 416 G C 1.961 176.948 174.900 0.146 0.000 1.150 416 G CA 0.462 45.583 45.100 0.035 0.000 0.776 416 G HN 0.191 nan 8.290 nan 0.000 0.542 417 R N 0.363 120.942 120.500 0.133 0.000 2.073 417 R HA -0.009 3.856 4.340 -0.792 0.000 0.229 417 R C 1.919 178.349 176.300 0.216 0.000 1.120 417 R CA 1.005 57.232 56.100 0.212 0.000 0.967 417 R CB -0.082 30.329 30.300 0.185 0.000 0.862 417 R HN 0.216 nan 8.270 nan 0.000 0.436 418 E N -0.648 119.614 120.200 0.103 0.000 2.481 418 E HA 0.025 3.900 4.350 -0.792 0.000 0.195 418 E C 0.813 177.397 176.600 -0.027 0.000 1.047 418 E CA 0.771 57.192 56.400 0.036 0.000 0.867 418 E CB 0.290 30.021 29.700 0.051 0.000 0.858 418 E HN 0.598 nan 8.360 nan 0.000 0.513 419 G N 1.785 110.607 108.800 0.037 0.000 2.149 419 G HA2 -0.281 3.204 3.960 -0.792 0.000 0.235 419 G HA3 -0.281 3.204 3.960 -0.792 0.000 0.235 419 G C 0.141 175.001 174.900 -0.067 0.000 1.018 419 G CA 0.143 45.230 45.100 -0.021 0.000 0.728 419 G HN 0.307 nan 8.290 nan 0.000 0.508 420 L N 0.383 121.540 121.223 -0.111 0.000 2.490 420 L HA 0.168 4.033 4.340 -0.792 0.000 0.274 420 L C 1.294 178.050 176.870 -0.190 0.000 1.201 420 L CA 0.017 54.725 54.840 -0.219 0.000 0.869 420 L CB 0.349 42.146 42.059 -0.437 0.000 1.123 420 L HN 0.223 nan 8.230 nan 0.000 0.484 421 D N 3.837 124.135 120.400 -0.169 0.000 2.137 421 D HA 0.033 4.198 4.640 -0.792 0.000 0.202 421 D C 0.197 176.399 176.300 -0.162 0.000 0.970 421 D CA 1.322 55.248 54.000 -0.123 0.000 0.837 421 D CB 0.415 41.168 40.800 -0.078 0.000 0.981 421 D HN 0.463 nan 8.370 nan 0.000 0.475 422 M N -0.789 118.674 119.600 -0.228 0.000 2.622 422 M HA 0.571 4.575 4.480 -0.792 0.000 0.276 422 M C -1.551 174.558 176.300 -0.318 0.000 1.265 422 M CA -0.715 54.438 55.300 -0.244 0.000 0.850 422 M CB 3.447 35.908 32.600 -0.231 0.000 1.720 422 M HN -0.197 nan 8.290 nan 0.000 0.465 423 A N 1.088 123.763 122.820 -0.243 0.000 2.594 423 A HA 0.926 4.771 4.320 -0.792 0.000 0.296 423 A C -1.946 175.674 177.584 0.060 0.000 1.061 423 A CA -0.566 51.374 52.037 -0.162 0.000 0.689 423 A CB 1.614 20.373 19.000 -0.402 0.000 1.280 423 A HN 1.081 nan 8.150 nan 0.000 0.406 424 A N 1.596 124.519 122.820 0.171 0.000 2.457 424 A HA 0.671 4.516 4.320 -0.792 0.000 0.283 424 A C -0.092 177.527 177.584 0.059 0.000 1.166 424 A CA -0.509 51.607 52.037 0.132 0.000 0.740 424 A CB 0.489 19.530 19.000 0.067 0.000 1.181 424 A HN 1.041 nan 8.150 nan 0.000 0.446 425 R N 2.790 123.233 120.500 -0.096 0.000 2.585 425 R HA 0.004 3.869 4.340 -0.792 0.000 0.275 425 R C -0.230 175.953 176.300 -0.195 0.000 1.018 425 R CA -0.147 55.553 56.100 -0.668 0.000 1.072 425 R CB 0.461 30.524 30.300 -0.394 0.000 0.953 425 R HN 0.820 nan 8.270 nan 0.000 0.419 426 W N 8.035 129.129 121.300 -0.343 0.000 2.659 426 W HA 0.049 4.231 4.660 -0.796 0.000 0.342 426 W C -1.031 175.529 176.519 0.069 0.000 1.287 426 W CA 0.086 57.402 57.345 -0.049 0.000 1.460 426 W CB 0.136 29.654 29.460 0.097 0.000 1.503 426 W HN 0.741 nan 8.180 nan 0.000 0.483 427 T N 2.339 116.638 114.554 -0.425 0.000 0.541 427 T HA -0.194 3.681 4.350 -0.792 0.000 0.774 427 T C -0.189 174.448 174.700 -0.106 0.000 0.992 427 T CA 0.402 62.285 62.100 -0.361 0.000 4.077 427 T CB -0.497 68.058 68.868 -0.522 0.000 2.303 427 T HN 0.492 nan 8.240 nan 0.000 0.398 428 T N 5.418 119.957 114.554 -0.025 0.000 2.832 428 T HA 0.498 4.373 4.350 -0.792 0.000 0.296 428 T C -1.611 173.135 174.700 0.078 0.000 0.968 428 T CA -0.912 61.217 62.100 0.049 0.000 1.107 428 T CB 0.879 69.795 68.868 0.081 0.000 0.916 428 T HN 0.502 nan 8.240 nan 0.000 0.517 429 P HA 0.113 nan 4.420 nan 0.000 0.272 429 P C -0.168 177.229 177.300 0.161 0.000 1.223 429 P CA -0.517 62.672 63.100 0.148 0.000 0.784 429 P CB 0.682 32.493 31.700 0.186 0.000 0.923 430 D N 0.847 121.286 120.400 0.064 0.000 2.472 430 D HA -0.050 4.115 4.640 -0.792 0.000 0.237 430 D C 1.326 177.515 176.300 -0.185 0.000 1.141 430 D CA 0.545 54.524 54.000 -0.035 0.000 0.875 430 D CB 0.968 41.747 40.800 -0.035 0.000 1.192 430 D HN 0.386 nan 8.370 nan 0.000 0.450 431 T N 1.431 115.713 114.554 -0.453 0.000 2.803 431 T HA -0.153 3.722 4.350 -0.792 0.000 0.269 431 T C 1.703 176.053 174.700 -0.583 0.000 1.052 431 T CA 1.192 62.655 62.100 -1.062 0.000 1.136 431 T CB -0.123 68.289 68.868 -0.760 0.000 0.864 431 T HN 0.399 nan 8.240 nan 0.000 0.467 432 A N 0.766 123.427 122.820 -0.264 0.000 2.167 432 A HA 0.242 4.087 4.320 -0.792 0.000 0.214 432 A C 1.581 179.136 177.584 -0.048 0.000 1.151 432 A CA 0.566 52.527 52.037 -0.125 0.000 0.735 432 A CB -0.715 18.237 19.000 -0.080 0.000 0.802 432 A HN 0.490 nan 8.150 nan 0.000 0.467 433 T N 0.616 115.155 114.554 -0.024 0.000 2.898 433 T HA 0.276 4.151 4.350 -0.792 0.000 0.301 433 T C -1.306 173.461 174.700 0.111 0.000 1.049 433 T CA -1.043 61.092 62.100 0.058 0.000 1.095 433 T CB 0.958 69.880 68.868 0.090 0.000 0.976 433 T HN 0.158 nan 8.240 nan 0.000 0.539 434 P HA 0.046 nan 4.420 nan 0.000 0.227 434 P C 1.289 178.671 177.300 0.137 0.000 1.161 434 P CA 0.722 63.888 63.100 0.109 0.000 0.788 434 P CB 0.106 31.850 31.700 0.075 0.000 0.822 435 T N -0.767 113.878 114.554 0.151 0.000 2.821 435 T HA -0.158 3.717 4.350 -0.792 0.000 0.267 435 T C 1.645 176.441 174.700 0.160 0.000 1.046 435 T CA 0.938 63.128 62.100 0.150 0.000 1.139 435 T CB -1.031 67.932 68.868 0.159 0.000 0.871 435 T HN 0.058 nan 8.240 nan 0.000 0.454 436 Y N 1.990 122.323 120.300 0.055 0.000 2.224 436 Y HA -0.153 3.922 4.550 -0.792 0.000 0.289 436 Y C 2.161 178.084 175.900 0.039 0.000 1.146 436 Y CA 1.409 59.533 58.100 0.041 0.000 1.182 436 Y CB -0.052 38.425 38.460 0.028 0.000 0.983 436 Y HN 0.006 nan 8.280 nan 0.000 0.524 437 K N 0.165 120.699 120.400 0.223 0.000 2.103 437 K HA -0.026 3.819 4.320 -0.792 0.000 0.204 437 K C 2.322 178.952 176.600 0.049 0.000 1.052 437 K CA 1.042 57.406 56.287 0.127 0.000 0.945 437 K CB -0.524 32.064 32.500 0.147 0.000 0.722 437 K HN 0.390 nan 8.250 nan 0.000 0.443 438 A N 0.972 123.833 122.820 0.069 0.000 1.908 438 A HA -0.193 3.652 4.320 -0.792 0.000 0.218 438 A C 2.125 179.762 177.584 0.087 0.000 1.181 438 A CA 1.572 53.653 52.037 0.075 0.000 0.627 438 A CB -0.713 18.337 19.000 0.083 0.000 0.818 438 A HN 0.230 nan 8.150 nan 0.000 0.445 439 I N -1.068 119.508 120.570 0.011 0.000 2.252 439 I HA -0.222 3.473 4.170 -0.792 0.000 0.245 439 I C 2.515 178.591 176.117 -0.070 0.000 1.102 439 I CA 1.637 62.920 61.300 -0.029 0.000 1.385 439 I CB -0.264 37.667 38.000 -0.115 0.000 1.064 439 I HN 0.304 nan 8.210 nan 0.000 0.414 440 K N 0.468 120.783 120.400 -0.140 0.000 2.209 440 K HA -0.140 3.705 4.320 -0.792 0.000 0.204 440 K C 2.181 178.739 176.600 -0.070 0.000 1.048 440 K CA 1.085 57.285 56.287 -0.145 0.000 0.940 440 K CB 0.094 32.511 32.500 -0.139 0.000 0.729 440 K HN 0.152 nan 8.250 nan 0.000 0.451 441 M N -0.546 119.038 119.600 -0.027 0.000 2.279 441 M HA -0.167 3.838 4.480 -0.792 0.000 0.264 441 M C 1.294 177.508 176.300 -0.144 0.000 1.062 441 M CA 1.631 56.889 55.300 -0.070 0.000 1.099 441 M CB -0.488 32.043 32.600 -0.114 0.000 1.394 441 M HN 0.193 nan 8.290 nan 0.000 0.426 442 Y N -0.675 119.527 120.300 -0.164 0.000 2.436 442 Y HA 0.057 4.132 4.550 -0.791 0.000 0.288 442 Y C 2.152 177.904 175.900 -0.247 0.000 1.112 442 Y CA 0.720 58.682 58.100 -0.231 0.000 1.220 442 Y CB 0.307 38.533 38.460 -0.390 0.000 1.073 442 Y HN 0.077 nan 8.280 nan 0.000 0.552 443 R N -0.576 119.837 120.500 -0.145 0.000 2.404 443 R HA 0.191 4.056 4.340 -0.792 0.000 0.237 443 R C -0.307 175.856 176.300 -0.228 0.000 0.907 443 R CA 0.314 56.276 56.100 -0.229 0.000 1.063 443 R CB 0.164 30.282 30.300 -0.303 0.000 1.134 443 R HN 0.129 nan 8.270 nan 0.000 0.529 444 N N 0.149 118.704 118.700 -0.242 0.000 2.968 444 N HA -0.053 4.212 4.740 -0.792 0.000 0.192 444 N C 0.084 175.390 175.510 -0.339 0.000 1.357 444 N CA -0.102 52.749 53.050 -0.333 0.000 1.069 444 N CB -0.277 38.074 38.487 -0.227 0.000 1.596 444 N HN 0.028 nan 8.380 nan 0.000 0.588 445 Y N -0.622 119.458 120.300 -0.366 0.000 2.439 445 Y HA 0.214 4.289 4.550 -0.792 0.000 0.292 445 Y C 1.187 176.700 175.900 -0.644 0.000 1.130 445 Y CA 1.087 58.881 58.100 -0.511 0.000 1.254 445 Y CB -0.094 37.944 38.460 -0.702 0.000 1.000 445 Y HN 0.125 nan 8.280 nan 0.000 0.554 446 D N -1.062 118.842 120.400 -0.827 0.000 2.395 446 D HA 0.201 4.366 4.640 -0.792 0.000 0.213 446 D C 1.778 177.969 176.300 -0.181 0.000 1.110 446 D CA 0.231 53.987 54.000 -0.408 0.000 0.835 446 D CB 0.003 40.500 40.800 -0.505 0.000 0.965 446 D HN 0.471 nan 8.370 nan 0.000 0.505 447 G N 0.950 109.622 108.800 -0.213 0.000 2.184 447 G HA2 -0.366 3.119 3.960 -0.792 0.000 0.264 447 G HA3 -0.366 3.119 3.960 -0.792 0.000 0.264 447 G C 0.655 175.476 174.900 -0.131 0.000 0.975 447 G CA 0.389 45.421 45.100 -0.115 0.000 0.642 447 G HN 0.501 nan 8.290 nan 0.000 0.536 448 N N 0.350 118.924 118.700 -0.209 0.000 2.214 448 N HA 0.240 4.505 4.740 -0.792 0.000 0.214 448 N C 0.875 176.259 175.510 -0.211 0.000 1.132 448 N CA -0.063 52.881 53.050 -0.176 0.000 0.856 448 N CB 0.188 38.579 38.487 -0.160 0.000 1.020 448 N HN 0.145 nan 8.380 nan 0.000 0.509 449 K N -0.665 119.582 120.400 -0.256 0.000 3.446 449 K HA -0.122 3.723 4.320 -0.792 0.000 0.312 449 K C -0.729 175.686 176.600 -0.308 0.000 1.329 449 K CA 0.322 56.465 56.287 -0.240 0.000 0.935 449 K CB -2.319 30.088 32.500 -0.155 0.000 1.281 449 K HN 0.125 nan 8.250 nan 0.000 0.457 450 S N 0.416 115.819 115.700 -0.493 0.000 2.549 450 S HA 0.506 4.500 4.470 -0.792 0.000 0.279 450 S C 0.521 174.770 174.600 -0.584 0.000 1.321 450 S CA 0.190 58.041 58.200 -0.580 0.000 1.054 450 S CB 1.340 63.993 63.200 -0.912 0.000 0.899 450 S HN 0.457 nan 8.310 nan 0.000 0.497 451 A N 2.368 125.072 122.820 -0.194 0.000 2.483 451 A HA 0.803 4.648 4.320 -0.792 0.000 0.286 451 A C -0.713 176.981 177.584 0.184 0.000 1.207 451 A CA -0.760 51.274 52.037 -0.005 0.000 0.764 451 A CB 0.423 19.381 19.000 -0.069 0.000 1.341 451 A HN 0.616 nan 8.150 nan 0.000 0.428 452 F N 0.972 120.925 119.950 0.005 0.000 2.490 452 F HA 0.466 4.519 4.527 -0.791 0.000 0.336 452 F C 1.255 177.070 175.800 0.025 0.000 1.178 452 F CA 0.585 58.588 58.000 0.006 0.000 1.301 452 F CB 0.517 39.564 39.000 0.078 0.000 1.175 452 F HN 0.728 nan 8.300 nan 0.000 0.593 453 G N 2.419 110.873 108.800 -0.577 0.000 2.614 453 G HA2 0.068 3.553 3.960 -0.792 0.000 0.239 453 G HA3 0.068 3.553 3.960 -0.792 0.000 0.239 453 G C 0.224 175.025 174.900 -0.164 0.000 1.240 453 G CA 0.078 44.958 45.100 -0.367 0.000 0.842 453 G HN 0.811 nan 8.290 nan 0.000 0.584 454 D N -1.163 119.188 120.400 -0.082 0.000 2.369 454 D HA 0.004 4.169 4.640 -0.792 0.000 0.211 454 D C 0.299 176.571 176.300 -0.047 0.000 1.077 454 D CA 0.174 54.169 54.000 -0.008 0.000 0.842 454 D CB 0.305 41.113 40.800 0.012 0.000 0.947 454 D HN 0.151 nan 8.370 nan 0.000 0.509 455 T N 0.826 115.317 114.554 -0.104 0.000 2.977 455 T HA 0.220 4.095 4.350 -0.792 0.000 0.346 455 T C -0.372 174.219 174.700 -0.182 0.000 1.140 455 T CA -0.526 61.500 62.100 -0.123 0.000 1.040 455 T CB 1.345 70.163 68.868 -0.084 0.000 1.046 455 T HN 0.020 nan 8.240 nan 0.000 0.494 456 S N 3.180 118.720 115.700 -0.267 0.000 2.549 456 S HA 0.406 4.401 4.470 -0.792 0.000 0.286 456 S C 0.285 174.759 174.600 -0.210 0.000 1.314 456 S CA -0.474 57.563 58.200 -0.271 0.000 1.062 456 S CB -0.120 62.785 63.200 -0.491 0.000 0.865 456 S HN 0.671 nan 8.310 nan 0.000 0.498 457 V N 2.269 122.123 119.914 -0.100 0.000 3.007 457 V HA 0.642 4.287 4.120 -0.792 0.000 0.311 457 V C 0.062 176.145 176.094 -0.019 0.000 1.120 457 V CA -1.069 61.199 62.300 -0.053 0.000 0.980 457 V CB 1.127 32.911 31.823 -0.066 0.000 1.033 457 V HN 0.764 nan 8.190 nan 0.000 0.429 458 T N 2.686 117.236 114.554 -0.007 0.000 2.902 458 T HA 0.547 4.422 4.350 -0.792 0.000 0.301 458 T C 0.168 174.841 174.700 -0.045 0.000 1.012 458 T CA 0.800 62.890 62.100 -0.017 0.000 1.151 458 T CB 0.646 69.507 68.868 -0.011 0.000 0.946 458 T HN 1.596 nan 8.240 nan 0.000 0.542 459 A N 2.846 125.621 122.820 -0.075 0.000 2.442 459 A HA 0.629 4.474 4.320 -0.792 0.000 0.284 459 A C 0.147 177.629 177.584 -0.170 0.000 1.058 459 A CA -0.871 51.098 52.037 -0.112 0.000 0.738 459 A CB 1.338 20.269 19.000 -0.115 0.000 1.242 459 A HN 0.806 nan 8.150 nan 0.000 0.421 460 T N 0.453 114.923 114.554 -0.140 0.000 2.797 460 T HA 0.774 4.649 4.350 -0.792 0.000 0.279 460 T C -0.246 174.366 174.700 -0.147 0.000 0.991 460 T CA 0.099 62.108 62.100 -0.152 0.000 0.979 460 T CB 1.328 70.139 68.868 -0.095 0.000 0.943 460 T HN 1.816 nan 8.240 nan 0.000 0.444 461 A N 5.573 128.286 122.820 -0.178 0.000 2.331 461 A HA 0.749 4.594 4.320 -0.792 0.000 0.320 461 A C -1.067 176.459 177.584 -0.097 0.000 1.138 461 A CA -1.827 50.124 52.037 -0.144 0.000 0.790 461 A CB 1.120 20.001 19.000 -0.197 0.000 1.206 461 A HN 0.755 nan 8.150 nan 0.000 0.470 462 P HA -0.106 nan 4.420 nan 0.000 0.219 462 P C -0.073 177.214 177.300 -0.021 0.000 1.146 462 P CA 1.208 64.291 63.100 -0.028 0.000 0.808 462 P CB 0.240 31.932 31.700 -0.012 0.000 0.779 463 N N -1.205 117.471 118.700 -0.040 0.000 2.747 463 N HA 0.181 4.446 4.740 -0.792 0.000 0.262 463 N C -2.546 172.919 175.510 -0.075 0.000 1.261 463 N CA -1.598 51.428 53.050 -0.039 0.000 0.809 463 N CB 1.145 39.609 38.487 -0.037 0.000 1.450 463 N HN -0.269 nan 8.380 nan 0.000 0.560 464 P HA -0.033 nan 4.420 nan 0.000 0.221 464 P C 0.483 177.738 177.300 -0.074 0.000 1.145 464 P CA 0.891 63.948 63.100 -0.072 0.000 0.795 464 P CB 0.504 32.207 31.700 0.006 0.000 0.775 465 D N -0.661 119.692 120.400 -0.078 0.000 2.149 465 D HA -0.143 4.022 4.640 -0.792 0.000 0.198 465 D C 1.355 177.542 176.300 -0.189 0.000 0.990 465 D CA 1.379 55.315 54.000 -0.107 0.000 0.839 465 D CB -0.515 40.231 40.800 -0.091 0.000 0.948 465 D HN 0.409 nan 8.370 nan 0.000 0.460 466 N N -0.963 117.558 118.700 -0.297 0.000 2.332 466 N HA 0.058 4.322 4.740 -0.792 0.000 0.190 466 N C -0.183 175.056 175.510 -0.452 0.000 1.117 466 N CA -0.232 52.459 53.050 -0.597 0.000 0.883 466 N CB 1.214 38.952 38.487 -1.249 0.000 1.089 466 N HN 0.033 nan 8.380 nan 0.000 0.480 467 V N 0.587 120.358 119.914 -0.239 0.000 2.697 467 V HA 0.656 4.301 4.120 -0.792 0.000 0.296 467 V C -1.537 174.482 176.094 -0.126 0.000 1.140 467 V CA -0.489 61.741 62.300 -0.117 0.000 0.921 467 V CB 1.350 33.160 31.823 -0.021 0.000 1.036 467 V HN 0.423 nan 8.190 nan 0.000 0.438 468 S N 5.445 121.064 115.700 -0.134 0.000 2.638 468 S HA 1.035 5.030 4.470 -0.792 0.000 0.302 468 S C -0.284 174.113 174.600 -0.338 0.000 1.096 468 S CA -0.220 57.821 58.200 -0.264 0.000 0.953 468 S CB 2.176 65.236 63.200 -0.233 0.000 1.107 468 S HN 2.291 nan 8.310 nan 0.000 0.503 469 A N 0.687 123.101 122.820 -0.678 0.000 2.572 469 A HA 0.864 4.709 4.320 -0.792 0.000 0.295 469 A C -1.727 175.258 177.584 -0.999 0.000 1.072 469 A CA -0.800 50.906 52.037 -0.552 0.000 0.691 469 A CB 0.899 19.730 19.000 -0.281 0.000 1.291 469 A HN 0.758 nan 8.150 nan 0.000 0.404 470 F N -0.253 119.678 119.950 -0.032 0.000 2.601 470 F HA 0.787 4.839 4.527 -0.791 0.000 0.309 470 F C 0.350 176.272 175.800 0.204 0.000 1.089 470 F CA -0.164 57.862 58.000 0.042 0.000 0.940 470 F CB 2.508 41.523 39.000 0.025 0.000 1.273 470 F HN 0.934 nan 8.300 nan 0.000 0.450 471 A N 1.260 124.291 122.820 0.352 0.000 2.527 471 A HA 1.040 4.885 4.320 -0.792 0.000 0.293 471 A C -1.517 176.072 177.584 0.009 0.000 1.117 471 A CA -0.355 51.792 52.037 0.182 0.000 0.723 471 A CB 1.857 20.850 19.000 -0.011 0.000 1.313 471 A HN 1.602 nan 8.150 nan 0.000 0.411 472 A N -0.394 122.232 122.820 -0.323 0.000 2.586 472 A HA 0.665 4.510 4.320 -0.792 0.000 0.291 472 A C -1.696 175.645 177.584 -0.407 0.000 1.062 472 A CA -0.354 51.448 52.037 -0.393 0.000 0.666 472 A CB 0.778 19.442 19.000 -0.560 0.000 1.281 472 A HN 1.585 nan 8.150 nan 0.000 0.421 473 V N 1.466 121.218 119.914 -0.271 0.000 2.417 473 V HA 0.511 4.156 4.120 -0.792 0.000 0.291 473 V C 0.499 176.503 176.094 -0.150 0.000 1.024 473 V CA -0.603 61.583 62.300 -0.190 0.000 0.861 473 V CB 1.469 33.251 31.823 -0.068 0.000 0.985 473 V HN 0.901 nan 8.190 nan 0.000 0.436 474 R N 2.546 122.968 120.500 -0.130 0.000 2.438 474 R HA 0.243 4.108 4.340 -0.792 0.000 0.287 474 R C 0.941 177.222 176.300 -0.032 0.000 1.077 474 R CA 0.012 56.062 56.100 -0.084 0.000 1.034 474 R CB 0.946 31.206 30.300 -0.067 0.000 0.993 474 R HN 0.820 nan 8.270 nan 0.000 0.459 475 S N 0.918 116.603 115.700 -0.024 0.000 2.388 475 S HA -0.121 3.874 4.470 -0.792 0.000 0.223 475 S C 1.807 176.407 174.600 -0.002 0.000 1.034 475 S CA 1.176 59.372 58.200 -0.008 0.000 0.963 475 S CB 0.070 63.266 63.200 -0.007 0.000 0.827 475 S HN 0.832 nan 8.310 nan 0.000 0.481 476 S N 1.780 117.477 115.700 -0.005 0.000 2.355 476 S HA -0.085 3.910 4.470 -0.792 0.000 0.222 476 S C 1.615 176.218 174.600 0.004 0.000 1.031 476 S CA 1.121 59.319 58.200 -0.003 0.000 0.993 476 S CB -0.522 62.673 63.200 -0.009 0.000 0.859 476 S HN 0.408 nan 8.310 nan 0.000 0.453 477 D N 1.010 121.415 120.400 0.007 0.000 2.183 477 D HA 0.104 4.269 4.640 -0.792 0.000 0.205 477 D C 1.625 177.948 176.300 0.038 0.000 0.962 477 D CA 1.232 55.245 54.000 0.022 0.000 0.849 477 D CB 0.030 40.845 40.800 0.026 0.000 0.978 477 D HN 0.626 nan 8.370 nan 0.000 0.488 478 G N 0.606 109.430 108.800 0.041 0.000 2.176 478 G HA2 -0.219 3.266 3.960 -0.792 0.000 0.253 478 G HA3 -0.219 3.266 3.960 -0.792 0.000 0.253 478 G C 0.515 175.508 174.900 0.155 0.000 0.979 478 G CA 0.542 45.688 45.100 0.076 0.000 0.641 478 G HN 0.656 nan 8.290 nan 0.000 0.530 479 A N -0.306 122.576 122.820 0.103 0.000 2.366 479 A HA 0.706 4.551 4.320 -0.792 0.000 0.249 479 A C 0.211 177.763 177.584 -0.054 0.000 1.084 479 A CA 0.342 52.442 52.037 0.104 0.000 0.794 479 A CB 0.800 19.830 19.000 0.051 0.000 1.034 479 A HN 1.518 nan 8.150 nan 0.000 0.491 480 L N 2.057 123.134 121.223 -0.243 0.000 2.272 480 L HA 0.546 4.411 4.340 -0.792 0.000 0.289 480 L C 0.416 177.077 176.870 -0.348 0.000 1.032 480 L CA 0.276 54.798 54.840 -0.530 0.000 0.810 480 L CB 1.160 42.505 42.059 -1.192 0.000 1.205 480 L HN 0.723 nan 8.230 nan 0.000 0.422 481 T N 2.591 116.923 114.554 -0.370 0.000 2.758 481 T HA 0.712 4.587 4.350 -0.792 0.000 0.285 481 T C -0.471 174.132 174.700 -0.161 0.000 0.981 481 T CA -0.700 61.221 62.100 -0.298 0.000 0.965 481 T CB 1.147 69.743 68.868 -0.454 0.000 0.927 481 T HN 0.337 nan 8.240 nan 0.000 0.448 482 V N 4.565 124.480 119.914 0.002 0.000 2.407 482 V HA 0.508 4.152 4.120 -0.792 0.000 0.291 482 V C -0.309 175.855 176.094 0.116 0.000 1.018 482 V CA -0.843 61.512 62.300 0.093 0.000 0.842 482 V CB 1.440 33.250 31.823 -0.022 0.000 0.996 482 V HN 0.988 nan 8.190 nan 0.000 0.426 483 M N 6.376 126.079 119.600 0.172 0.000 2.157 483 M HA 0.611 4.616 4.480 -0.792 0.000 0.354 483 M C -0.968 175.349 176.300 0.028 0.000 1.170 483 M CA -0.058 55.227 55.300 -0.024 0.000 1.060 483 M CB 1.337 33.754 32.600 -0.306 0.000 1.615 483 M HN 0.416 nan 8.290 nan 0.000 0.460 484 V N 6.863 126.771 119.914 -0.010 0.000 2.444 484 V HA 0.522 4.167 4.120 -0.792 0.000 0.294 484 V C -0.812 175.287 176.094 0.008 0.000 1.022 484 V CA -0.676 61.618 62.300 -0.009 0.000 0.850 484 V CB 1.476 33.288 31.823 -0.018 0.000 0.992 484 V HN 0.687 nan 8.190 nan 0.000 0.426 485 I N 4.071 124.655 120.570 0.023 0.000 2.355 485 I HA 0.385 4.080 4.170 -0.792 0.000 0.288 485 I C 0.079 176.209 176.117 0.022 0.000 0.999 485 I CA -0.234 61.087 61.300 0.035 0.000 1.163 485 I CB 1.394 39.434 38.000 0.067 0.000 1.316 485 I HN 0.509 nan 8.210 nan 0.000 0.454 486 N N 5.489 124.216 118.700 0.044 0.000 2.500 486 N HA 0.225 4.490 4.740 -0.792 0.000 0.236 486 N C 0.481 176.032 175.510 0.068 0.000 1.022 486 N CA -0.126 52.971 53.050 0.078 0.000 0.935 486 N CB 0.709 39.268 38.487 0.121 0.000 1.147 486 N HN 0.409 nan 8.380 nan 0.000 0.512 487 K N 2.218 122.612 120.400 -0.009 0.000 2.426 487 K HA 0.026 3.871 4.320 -0.792 0.000 0.193 487 K C -0.168 176.435 176.600 0.005 0.000 1.028 487 K CA 0.112 56.386 56.287 -0.022 0.000 1.047 487 K CB 0.094 32.544 32.500 -0.082 0.000 0.821 487 K HN 0.526 nan 8.250 nan 0.000 0.513 488 Y N 1.246 121.562 120.300 0.028 0.000 2.712 488 Y HA -0.133 3.943 4.550 -0.792 0.000 0.333 488 Y C 1.569 177.492 175.900 0.038 0.000 1.225 488 Y CA -0.059 58.059 58.100 0.029 0.000 1.499 488 Y CB 0.426 38.898 38.460 0.020 0.000 1.288 488 Y HN -0.047 nan 8.280 nan 0.000 0.575 489 L N 1.971 123.325 121.223 0.218 0.000 2.395 489 L HA 0.001 3.866 4.340 -0.792 0.000 0.218 489 L C 0.544 177.487 176.870 0.122 0.000 1.130 489 L CA 0.586 55.515 54.840 0.148 0.000 0.826 489 L CB -0.468 41.663 42.059 0.121 0.000 0.941 489 L HN 0.638 nan 8.230 nan 0.000 0.451 490 S N -1.565 114.206 115.700 0.118 0.000 2.570 490 S HA 0.713 4.708 4.470 -0.792 0.000 0.270 490 S C -0.231 174.366 174.600 -0.005 0.000 1.149 490 S CA -0.219 58.014 58.200 0.054 0.000 0.837 490 S CB 2.035 65.260 63.200 0.041 0.000 1.124 490 S HN 0.326 nan 8.310 nan 0.000 0.465 491 G N 1.660 110.445 108.800 -0.025 0.000 2.731 491 G HA2 -0.108 3.377 3.960 -0.792 0.000 0.686 491 G HA3 -0.108 3.377 3.960 -0.792 0.000 0.686 491 G C -0.884 173.967 174.900 -0.082 0.000 1.395 491 G CA -0.751 44.307 45.100 -0.070 0.000 0.870 491 G HN 0.897 nan 8.290 nan 0.000 0.591 492 N N -0.180 118.476 118.700 -0.074 0.000 2.467 492 N HA 0.540 4.805 4.740 -0.792 0.000 0.262 492 N C 0.023 175.472 175.510 -0.102 0.000 1.234 492 N CA 0.470 53.484 53.050 -0.060 0.000 0.952 492 N CB 1.071 39.533 38.487 -0.042 0.000 1.158 492 N HN 0.584 nan 8.380 nan 0.000 0.463 493 T N 3.039 117.555 114.554 -0.063 0.000 2.892 493 T HA 0.315 4.190 4.350 -0.792 0.000 0.311 493 T C -2.557 172.130 174.700 -0.022 0.000 1.033 493 T CA -1.107 60.953 62.100 -0.066 0.000 0.991 493 T CB 1.963 70.831 68.868 0.000 0.000 0.981 493 T HN 0.329 nan 8.240 nan 0.000 0.457 494 P HA 0.470 nan 4.420 nan 0.000 0.271 494 P C -1.233 176.065 177.300 -0.004 0.000 1.216 494 P CA -0.357 62.732 63.100 -0.017 0.000 0.771 494 P CB 0.822 32.508 31.700 -0.023 0.000 0.864 495 A N 2.907 125.726 122.820 -0.003 0.000 2.449 495 A HA 0.695 4.540 4.320 -0.792 0.000 0.302 495 A C -0.631 176.949 177.584 -0.007 0.000 1.048 495 A CA -0.449 51.588 52.037 -0.001 0.000 0.708 495 A CB 1.340 20.342 19.000 0.003 0.000 1.274 495 A HN 0.412 nan 8.150 nan 0.000 0.410 496 T N 2.149 116.697 114.554 -0.009 0.000 2.841 496 T HA 0.529 4.404 4.350 -0.792 0.000 0.285 496 T C -0.802 173.889 174.700 -0.015 0.000 0.991 496 T CA -0.062 62.031 62.100 -0.010 0.000 0.966 496 T CB 0.650 69.513 68.868 -0.008 0.000 0.962 496 T HN 0.377 nan 8.240 nan 0.000 0.438 497 I N 4.261 124.821 120.570 -0.017 0.000 2.307 497 I HA 0.301 3.996 4.170 -0.792 0.000 0.289 497 I C 0.033 176.140 176.117 -0.017 0.000 1.021 497 I CA -0.621 60.666 61.300 -0.023 0.000 1.224 497 I CB 0.788 38.770 38.000 -0.029 0.000 1.376 497 I HN 0.430 nan 8.210 nan 0.000 0.470 498 N N 7.633 126.322 118.700 -0.017 0.000 2.426 498 N HA 0.435 4.700 4.740 -0.792 0.000 0.257 498 N C -0.594 174.912 175.510 -0.007 0.000 1.002 498 N CA -0.401 52.644 53.050 -0.008 0.000 0.942 498 N CB 1.554 40.037 38.487 -0.007 0.000 1.112 498 N HN 0.415 nan 8.380 nan 0.000 0.499 499 L N 0.865 122.093 121.223 0.009 0.000 2.379 499 L HA 0.477 4.342 4.340 -0.792 0.000 0.269 499 L C 0.398 177.292 176.870 0.040 0.000 1.084 499 L CA -0.339 54.516 54.840 0.024 0.000 0.802 499 L CB 0.982 43.078 42.059 0.062 0.000 1.175 499 L HN 0.315 nan 8.230 nan 0.000 0.448 500 S N 0.622 116.353 115.700 0.051 0.000 2.619 500 S HA 0.304 4.299 4.470 -0.792 0.000 0.280 500 S C -0.401 174.247 174.600 0.081 0.000 1.150 500 S CA -0.731 57.499 58.200 0.050 0.000 0.978 500 S CB 1.447 64.663 63.200 0.026 0.000 1.041 500 S HN 0.778 nan 8.310 nan 0.000 0.485 501 N N 0.770 119.514 118.700 0.074 0.000 2.758 501 N HA -0.203 4.062 4.740 -0.792 0.000 0.248 501 N C -1.229 174.368 175.510 0.145 0.000 1.076 501 N CA 0.818 53.913 53.050 0.075 0.000 0.696 501 N CB -1.141 37.381 38.487 0.059 0.000 0.979 501 N HN 0.517 nan 8.380 nan 0.000 0.550 502 F N 0.602 120.542 119.950 -0.016 0.000 2.730 502 F HA 0.332 4.384 4.527 -0.791 0.000 0.335 502 F C -0.255 175.536 175.800 -0.015 0.000 1.212 502 F CA -0.703 57.286 58.000 -0.018 0.000 1.016 502 F CB 1.111 40.097 39.000 -0.023 0.000 1.290 502 F HN 0.039 nan 8.300 nan 0.000 0.495 503 T N 3.442 117.665 114.554 -0.552 0.000 2.723 503 T HA 0.813 4.688 4.350 -0.792 0.000 0.297 503 T C -0.092 174.332 174.700 -0.460 0.000 0.925 503 T CA -0.161 61.731 62.100 -0.348 0.000 1.030 503 T CB 0.789 69.498 68.868 -0.266 0.000 0.905 503 T HN 0.797 nan 8.240 nan 0.000 0.502 504 A N 3.906 126.665 122.820 -0.103 0.000 2.346 504 A HA 0.674 4.519 4.320 -0.792 0.000 0.313 504 A C 0.260 177.866 177.584 0.037 0.000 1.140 504 A CA -1.129 50.948 52.037 0.067 0.000 0.826 504 A CB 1.079 20.289 19.000 0.350 0.000 1.332 504 A HN 0.870 nan 8.150 nan 0.000 0.457 505 Q N -0.433 119.403 119.800 0.059 0.000 2.544 505 Q HA 0.395 4.260 4.340 -0.792 0.000 0.194 505 Q C 1.291 177.314 176.000 0.040 0.000 1.104 505 Q CA 0.063 55.887 55.803 0.035 0.000 1.131 505 Q CB 0.368 29.130 28.738 0.040 0.000 1.210 505 Q HN 0.837 nan 8.270 nan 0.000 0.639 506 A N 0.054 122.889 122.820 0.026 0.000 2.066 506 A HA -0.090 3.755 4.320 -0.792 0.000 0.218 506 A C 0.469 178.067 177.584 0.024 0.000 1.157 506 A CA 1.071 53.121 52.037 0.021 0.000 0.670 506 A CB 0.171 19.177 19.000 0.011 0.000 0.804 506 A HN 0.584 nan 8.150 nan 0.000 0.453 507 Q N -1.107 118.711 119.800 0.030 0.000 2.375 507 Q HA 0.644 4.509 4.340 -0.792 0.000 0.271 507 Q C -1.081 174.944 176.000 0.042 0.000 1.074 507 Q CA -0.597 55.223 55.803 0.027 0.000 0.808 507 Q CB 2.178 30.925 28.738 0.016 0.000 1.327 507 Q HN 0.294 nan 8.270 nan 0.000 0.441 508 A N 2.304 125.145 122.820 0.034 0.000 2.330 508 A HA 0.410 4.255 4.320 -0.792 0.000 0.327 508 A C -0.507 177.101 177.584 0.040 0.000 1.155 508 A CA -0.605 51.456 52.037 0.042 0.000 0.803 508 A CB 0.917 19.932 19.000 0.025 0.000 1.208 508 A HN 0.700 nan 8.150 nan 0.000 0.477 509 Q N 0.326 120.173 119.800 0.078 0.000 2.354 509 Q HA 0.492 4.357 4.340 -0.792 0.000 0.244 509 Q C -0.854 175.184 176.000 0.064 0.000 0.969 509 Q CA -0.181 55.674 55.803 0.086 0.000 0.885 509 Q CB 1.438 30.309 28.738 0.221 0.000 1.241 509 Q HN 0.495 nan 8.270 nan 0.000 0.461 510 V N 1.609 121.507 119.914 -0.027 0.000 2.577 510 V HA 0.402 4.047 4.120 -0.792 0.000 0.303 510 V C -0.992 175.061 176.094 -0.069 0.000 1.042 510 V CA -0.981 61.317 62.300 -0.004 0.000 0.872 510 V CB 1.664 33.467 31.823 -0.032 0.000 0.998 510 V HN 0.698 nan 8.190 nan 0.000 0.423 511 W N 3.243 124.516 121.300 -0.046 0.000 2.736 511 W HA 0.675 4.860 4.660 -0.792 0.000 0.335 511 W C -0.396 176.099 176.519 -0.040 0.000 1.059 511 W CA -0.450 56.875 57.345 -0.034 0.000 1.226 511 W CB 2.339 31.718 29.460 -0.135 0.000 1.416 511 W HN 0.592 nan 8.180 nan 0.000 0.505 512 Q N 2.774 122.688 119.800 0.191 0.000 2.379 512 Q HA 0.577 4.442 4.340 -0.792 0.000 0.278 512 Q C -2.118 173.943 176.000 0.102 0.000 1.068 512 Q CA -0.660 55.206 55.803 0.106 0.000 0.816 512 Q CB 3.213 31.985 28.738 0.056 0.000 1.387 512 Q HN 0.596 nan 8.270 nan 0.000 0.413 513 L N 3.011 124.278 121.223 0.072 0.000 2.385 513 L HA 0.724 4.589 4.340 -0.792 0.000 0.273 513 L C -0.903 175.998 176.870 0.052 0.000 0.990 513 L CA -0.169 54.712 54.840 0.068 0.000 0.821 513 L CB 2.218 44.316 42.059 0.067 0.000 1.279 513 L HN 1.027 nan 8.230 nan 0.000 0.412 514 T N 0.053 114.635 114.554 0.047 0.000 2.669 514 T HA 0.475 4.350 4.350 -0.792 0.000 0.283 514 T C 0.871 175.585 174.700 0.024 0.000 1.019 514 T CA 0.065 62.186 62.100 0.036 0.000 1.039 514 T CB 1.437 70.322 68.868 0.029 0.000 1.374 514 T HN 0.520 nan 8.240 nan 0.000 0.523 515 A N -0.034 122.790 122.820 0.006 0.000 2.186 515 A HA 0.312 4.157 4.320 -0.792 0.000 0.219 515 A C 2.334 179.909 177.584 -0.015 0.000 1.159 515 A CA 1.656 53.678 52.037 -0.026 0.000 0.680 515 A CB -1.503 17.463 19.000 -0.056 0.000 0.787 515 A HN 1.341 nan 8.150 nan 0.000 0.467 516 A N -0.406 122.416 122.820 0.004 0.000 2.216 516 A HA 0.003 3.848 4.320 -0.792 0.000 0.214 516 A C 1.109 178.703 177.584 0.017 0.000 1.160 516 A CA 0.972 53.014 52.037 0.009 0.000 0.725 516 A CB -0.595 18.414 19.000 0.016 0.000 0.784 516 A HN 0.760 nan 8.150 nan 0.000 0.472 517 N N -0.740 117.974 118.700 0.023 0.000 2.714 517 N HA -0.135 4.130 4.740 -0.792 0.000 0.253 517 N C -0.906 174.634 175.510 0.050 0.000 1.024 517 N CA 1.371 54.443 53.050 0.037 0.000 0.726 517 N CB -1.599 36.902 38.487 0.024 0.000 0.908 517 N HN 0.379 nan 8.380 nan 0.000 0.542 518 T N 1.099 115.690 114.554 0.061 0.000 3.105 518 T HA 0.349 4.224 4.350 -0.792 0.000 0.321 518 T C 0.238 174.997 174.700 0.099 0.000 1.135 518 T CA -0.583 61.562 62.100 0.075 0.000 1.053 518 T CB 1.078 69.982 68.868 0.060 0.000 1.133 518 T HN 0.169 nan 8.240 nan 0.000 0.463 519 I N 4.206 124.854 120.570 0.130 0.000 2.329 519 I HA 0.168 3.863 4.170 -0.792 0.000 0.295 519 I C 0.115 176.366 176.117 0.223 0.000 1.109 519 I CA -0.376 61.036 61.300 0.186 0.000 1.297 519 I CB 0.122 38.243 38.000 0.202 0.000 1.433 519 I HN 0.426 nan 8.210 nan 0.000 0.509 520 N N 4.531 123.341 118.700 0.183 0.000 2.456 520 N HA 0.161 4.426 4.740 -0.792 0.000 0.288 520 N C -0.387 175.176 175.510 0.088 0.000 1.059 520 N CA -0.467 52.659 53.050 0.127 0.000 0.946 520 N CB 1.134 39.655 38.487 0.057 0.000 1.150 520 N HN 0.402 nan 8.380 nan 0.000 0.479 521 H N 3.074 122.036 119.070 -0.180 0.000 2.787 521 H HA 0.331 4.412 4.556 -0.792 0.000 0.275 521 H C -0.051 175.042 175.328 -0.393 0.000 1.183 521 H CA -0.334 55.349 56.048 -0.609 0.000 1.290 521 H CB -0.265 29.145 29.762 -0.588 0.000 1.438 521 H HN 0.413 nan 8.280 nan 0.000 0.487 522 L N 2.144 123.241 121.223 -0.210 0.000 2.482 522 L HA 0.201 4.066 4.340 -0.792 0.000 0.242 522 L C 0.939 177.622 176.870 -0.312 0.000 1.210 522 L CA -0.685 54.030 54.840 -0.207 0.000 0.819 522 L CB 0.244 42.236 42.059 -0.112 0.000 1.203 522 L HN 0.467 nan 8.230 nan 0.000 0.495 523 S N 0.258 115.827 115.700 -0.218 0.000 2.576 523 S HA 0.112 4.107 4.470 -0.792 0.000 0.276 523 S C 0.017 174.526 174.600 -0.153 0.000 1.339 523 S CA -0.741 57.336 58.200 -0.205 0.000 1.039 523 S CB 0.310 63.429 63.200 -0.135 0.000 0.902 523 S HN 0.432 nan 8.310 nan 0.000 0.516 524 N N 0.949 119.568 118.700 -0.134 0.000 2.381 524 N HA 0.107 4.372 4.740 -0.792 0.000 0.241 524 N C -0.489 174.990 175.510 -0.051 0.000 1.279 524 N CA -0.011 52.995 53.050 -0.073 0.000 0.896 524 N CB 0.560 39.019 38.487 -0.047 0.000 1.118 524 N HN 0.360 nan 8.380 nan 0.000 0.438 525 V N 0.611 120.508 119.914 -0.029 0.000 2.555 525 V HA 0.362 4.007 4.120 -0.792 0.000 0.302 525 V C -0.137 175.951 176.094 -0.009 0.000 1.038 525 V CA -0.471 61.816 62.300 -0.022 0.000 0.887 525 V CB 1.693 33.505 31.823 -0.018 0.000 0.991 525 V HN 0.669 nan 8.190 nan 0.000 0.434 526 S N 5.861 121.556 115.700 -0.009 0.000 2.646 526 S HA 0.627 4.622 4.470 -0.792 0.000 0.276 526 S C -0.413 174.189 174.600 0.003 0.000 1.222 526 S CA -0.639 57.560 58.200 -0.002 0.000 1.014 526 S CB 1.281 64.478 63.200 -0.005 0.000 0.991 526 S HN 0.798 nan 8.310 nan 0.000 0.533 527 L N 0.547 121.776 121.223 0.009 0.000 2.476 527 L HA 0.606 4.471 4.340 -0.792 0.000 0.264 527 L C 0.575 177.449 176.870 0.007 0.000 1.224 527 L CA 0.038 54.886 54.840 0.013 0.000 0.821 527 L CB -0.482 41.589 42.059 0.020 0.000 1.101 527 L HN 0.543 nan 8.230 nan 0.000 0.488 528 S N -0.263 115.442 115.700 0.008 0.000 2.606 528 S HA 0.593 4.588 4.470 -0.792 0.000 0.156 528 S C 0.160 174.764 174.600 0.006 0.000 1.308 528 S CA 0.347 58.550 58.200 0.004 0.000 1.228 528 S CB -0.885 62.316 63.200 0.001 0.000 1.568 528 S HN 1.701 nan 8.310 nan 0.000 0.397 529 G N 1.983 110.788 108.800 0.008 0.000 2.596 529 G HA2 -0.215 3.270 3.960 -0.792 0.000 0.258 529 G HA3 -0.215 3.270 3.960 -0.792 0.000 0.258 529 G C 0.271 175.182 174.900 0.018 0.000 1.207 529 G CA 0.048 45.154 45.100 0.010 0.000 0.954 529 G HN 0.907 nan 8.290 nan 0.000 0.551 530 S N 1.579 117.291 115.700 0.020 0.000 2.519 530 S HA 0.630 4.625 4.470 -0.792 0.000 0.245 530 S C 0.161 174.776 174.600 0.025 0.000 1.152 530 S CA 0.829 59.047 58.200 0.031 0.000 1.175 530 S CB -0.362 62.856 63.200 0.030 0.000 0.829 530 S HN 1.694 nan 8.310 nan 0.000 0.472 531 S N 0.932 116.644 115.700 0.019 0.000 2.587 531 S HA 0.802 4.797 4.470 -0.792 0.000 0.269 531 S C -1.490 173.115 174.600 0.007 0.000 1.154 531 S CA -1.174 57.032 58.200 0.010 0.000 0.824 531 S CB 1.330 64.532 63.200 0.004 0.000 1.118 531 S HN 0.282 nan 8.310 nan 0.000 0.462 532 L N -1.730 119.493 121.223 0.001 0.000 2.472 532 L HA 0.977 4.842 4.340 -0.792 0.000 0.260 532 L C -0.748 176.118 176.870 -0.007 0.000 0.963 532 L CA -0.541 54.298 54.840 -0.002 0.000 0.829 532 L CB 1.796 43.855 42.059 -0.000 0.000 1.348 532 L HN 0.633 nan 8.230 nan 0.000 0.408 533 S N 2.812 118.507 115.700 -0.008 0.000 2.607 533 S HA 0.997 4.992 4.470 -0.792 0.000 0.303 533 S C -0.730 173.863 174.600 -0.011 0.000 1.086 533 S CA -0.644 57.550 58.200 -0.010 0.000 0.995 533 S CB 1.705 64.900 63.200 -0.009 0.000 1.084 533 S HN 0.933 nan 8.310 nan 0.000 0.507 534 L N -1.290 119.926 121.223 -0.011 0.000 2.869 534 L HA 0.692 4.557 4.340 -0.792 0.000 0.265 534 L C -1.258 175.606 176.870 -0.011 0.000 1.011 534 L CA -0.986 53.846 54.840 -0.013 0.000 0.913 534 L CB 1.700 43.751 42.059 -0.013 0.000 1.490 534 L HN 0.439 nan 8.230 nan 0.000 0.410 535 T N 2.497 117.044 114.554 -0.012 0.000 2.767 535 T HA 0.632 4.507 4.350 -0.792 0.000 0.284 535 T C -0.255 174.442 174.700 -0.005 0.000 0.973 535 T CA -0.318 61.775 62.100 -0.012 0.000 0.996 535 T CB 1.061 69.919 68.868 -0.016 0.000 0.927 535 T HN 0.389 nan 8.240 nan 0.000 0.456 536 L N 5.815 127.039 121.223 0.002 0.000 2.272 536 L HA 0.403 4.268 4.340 -0.792 0.000 0.289 536 L C -2.295 174.586 176.870 0.020 0.000 1.032 536 L CA -2.390 52.460 54.840 0.016 0.000 0.810 536 L CB 1.281 43.359 42.059 0.033 0.000 1.205 536 L HN 0.303 nan 8.230 nan 0.000 0.422 537 P HA 0.081 nan 4.420 nan 0.000 0.272 537 P C -0.410 176.917 177.300 0.046 0.000 1.230 537 P CA -0.314 62.800 63.100 0.023 0.000 0.788 537 P CB 0.669 32.382 31.700 0.021 0.000 0.949 538 A N 2.235 125.084 122.820 0.048 0.000 2.483 538 A HA 0.019 3.864 4.320 -0.792 0.000 0.238 538 A C 0.111 177.747 177.584 0.087 0.000 1.070 538 A CA 0.038 52.126 52.037 0.085 0.000 0.770 538 A CB -0.849 18.196 19.000 0.075 0.000 1.008 538 A HN 0.681 nan 8.150 nan 0.000 0.497 539 Q N -0.352 119.514 119.800 0.110 0.000 2.434 539 Q HA -0.167 3.698 4.340 -0.792 0.000 0.366 539 Q C -0.094 175.949 176.000 0.072 0.000 1.398 539 Q CA 0.880 56.740 55.803 0.094 0.000 1.074 539 Q CB -1.748 27.051 28.738 0.102 0.000 1.236 539 Q HN 1.145 nan 8.270 nan 0.000 0.329 540 S N -1.731 114.008 115.700 0.066 0.000 2.564 540 S HA 0.783 4.778 4.470 -0.792 0.000 0.274 540 S C -0.558 174.068 174.600 0.043 0.000 1.124 540 S CA -0.975 57.257 58.200 0.052 0.000 0.869 540 S CB 2.558 65.786 63.200 0.045 0.000 1.105 540 S HN 0.131 nan 8.310 nan 0.000 0.472 541 V N 2.188 122.123 119.914 0.035 0.000 2.350 541 V HA 0.573 4.218 4.120 -0.792 0.000 0.285 541 V C -0.452 175.643 176.094 0.002 0.000 1.014 541 V CA -0.255 62.053 62.300 0.013 0.000 0.831 541 V CB 1.257 33.084 31.823 0.008 0.000 1.000 541 V HN 1.056 nan 8.190 nan 0.000 0.433 542 T N 6.271 120.819 114.554 -0.009 0.000 2.807 542 T HA 0.636 4.511 4.350 -0.792 0.000 0.279 542 T C -0.715 173.961 174.700 -0.040 0.000 0.993 542 T CA -0.362 61.735 62.100 -0.005 0.000 0.970 542 T CB 1.688 70.560 68.868 0.007 0.000 0.950 542 T HN 0.380 nan 8.240 nan 0.000 0.441 543 L N 4.405 125.607 121.223 -0.034 0.000 2.322 543 L HA 0.662 4.527 4.340 -0.792 0.000 0.281 543 L C -1.469 175.384 176.870 -0.028 0.000 1.014 543 L CA -0.625 54.162 54.840 -0.090 0.000 0.815 543 L CB 0.794 42.715 42.059 -0.230 0.000 1.247 543 L HN 0.592 nan 8.230 nan 0.000 0.421 544 L N 6.003 127.203 121.223 -0.038 0.000 2.305 544 L HA 0.579 4.444 4.340 -0.792 0.000 0.284 544 L C -0.831 176.013 176.870 -0.044 0.000 1.013 544 L CA -0.896 53.934 54.840 -0.016 0.000 0.819 544 L CB 1.866 43.912 42.059 -0.022 0.000 1.227 544 L HN 0.293 nan 8.230 nan 0.000 0.417 545 V N 5.197 125.112 119.914 0.002 0.000 2.293 545 V HA 0.356 4.001 4.120 -0.792 0.000 0.275 545 V C 0.179 176.292 176.094 0.031 0.000 1.021 545 V CA -0.196 62.102 62.300 -0.004 0.000 0.815 545 V CB 1.140 33.002 31.823 0.064 0.000 1.025 545 V HN 0.529 nan 8.190 nan 0.000 0.448 546 I N 7.096 127.656 120.570 -0.017 0.000 2.307 546 I HA 0.326 4.021 4.170 -0.792 0.000 0.287 546 I C -2.309 173.886 176.117 0.130 0.000 1.054 546 I CA -1.868 59.453 61.300 0.034 0.000 1.218 546 I CB 1.231 39.212 38.000 -0.033 0.000 1.398 546 I HN 0.357 nan 8.210 nan 0.000 0.475 547 P HA 0.084 nan 4.420 nan 0.000 0.270 547 P C -0.290 177.165 177.300 0.257 0.000 1.223 547 P CA -0.161 63.047 63.100 0.180 0.000 0.785 547 P CB 0.699 32.468 31.700 0.114 0.000 0.923 548 A N 1.587 124.516 122.820 0.182 0.000 2.286 548 A HA 0.713 4.558 4.320 -0.792 0.000 0.286 548 A C 0.017 177.546 177.584 -0.092 0.000 1.097 548 A CA 0.243 52.256 52.037 -0.040 0.000 0.821 548 A CB -0.217 18.730 19.000 -0.088 0.000 1.076 548 A HN 0.561 nan 8.150 nan 0.000 0.490 549 S N 0.000 115.590 115.700 -0.183 0.000 2.498 549 S HA 0.000 3.995 4.470 -0.792 0.000 0.327 549 S CA 0.000 58.128 58.200 -0.120 0.000 1.107 549 S CB 0.000 63.159 63.200 -0.068 0.000 0.593 549 S HN 0.000 nan 8.310 nan 0.000 0.517