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 2b9v_1_K DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 4.460 124.867 120.400 0.011 0.000 2.358 51 D HA 0.135 4.775 4.640 -0.000 0.000 0.258 51 D C -1.203 175.077 176.300 -0.034 0.000 1.223 51 D CA -1.973 52.007 54.000 -0.033 0.000 0.886 51 D CB 1.299 42.099 40.800 -0.001 0.000 1.120 51 D HN 0.286 nan 8.370 nan 0.000 0.482 52 P HA -0.069 nan 4.420 nan 0.000 0.226 52 P C 1.259 178.553 177.300 -0.010 0.000 1.153 52 P CA 0.592 63.665 63.100 -0.046 0.000 0.777 52 P CB 0.273 31.929 31.700 -0.073 0.000 0.794 53 L N -1.455 119.761 121.223 -0.011 0.000 2.599 53 L HA 0.100 4.440 4.340 -0.000 0.000 0.230 53 L C 1.799 178.673 176.870 0.006 0.000 1.141 53 L CA 0.573 55.411 54.840 -0.003 0.000 0.877 53 L CB -0.289 41.766 42.059 -0.006 0.000 1.009 53 L HN -0.033 nan 8.230 nan 0.000 0.447 54 S N -1.958 113.751 115.700 0.014 0.000 3.171 54 S HA 0.184 4.654 4.470 -0.000 0.000 0.258 54 S C 0.387 175.007 174.600 0.032 0.000 1.083 54 S CA -0.197 58.015 58.200 0.020 0.000 0.801 54 S CB 1.069 64.280 63.200 0.019 0.000 0.831 54 S HN -0.059 nan 8.310 nan 0.000 0.462 55 V N 3.365 123.311 119.914 0.053 0.000 2.347 55 V HA 0.562 4.682 4.120 -0.000 0.000 0.280 55 V C -0.628 175.524 176.094 0.097 0.000 1.021 55 V CA -0.486 61.858 62.300 0.074 0.000 0.847 55 V CB 1.255 33.145 31.823 0.111 0.000 0.990 55 V HN 0.255 nan 8.190 nan 0.000 0.444 56 Q N 3.444 123.282 119.800 0.064 0.000 2.347 56 Q HA 0.414 4.754 4.340 -0.000 0.000 0.262 56 Q C 0.616 176.645 176.000 0.049 0.000 0.980 56 Q CA -0.035 55.804 55.803 0.060 0.000 0.867 56 Q CB 1.620 30.380 28.738 0.035 0.000 1.242 56 Q HN 0.872 nan 8.270 nan 0.000 0.453 57 T N -0.019 114.571 114.554 0.061 0.000 3.044 57 T HA 0.437 4.787 4.350 -0.000 0.000 0.260 57 T C 0.738 175.452 174.700 0.024 0.000 1.019 57 T CA 0.208 62.321 62.100 0.021 0.000 0.921 57 T CB 0.558 69.412 68.868 -0.024 0.000 1.053 57 T HN 0.449 nan 8.240 nan 0.000 0.533 58 G N 1.086 109.908 108.800 0.036 0.000 3.134 58 G HA2 0.564 4.524 3.960 -0.000 0.000 0.158 58 G HA3 0.564 4.524 3.960 -0.000 0.000 0.158 58 G C -0.821 174.091 174.900 0.019 0.000 1.334 58 G CA -0.481 44.635 45.100 0.028 0.000 1.001 58 G HN 0.363 nan 8.290 nan 0.000 0.600 59 S N -1.056 114.654 115.700 0.018 0.000 2.532 59 S HA 0.426 4.896 4.470 -0.000 0.000 0.301 59 S C -0.151 174.457 174.600 0.013 0.000 1.083 59 S CA -0.573 57.635 58.200 0.013 0.000 1.025 59 S CB 1.731 64.937 63.200 0.011 0.000 1.056 59 S HN 0.319 nan 8.310 nan 0.000 0.494 60 D N 2.338 122.745 120.400 0.011 0.000 2.348 60 D HA 0.203 4.843 4.640 -0.000 0.000 0.211 60 D C 0.159 176.464 176.300 0.009 0.000 0.998 60 D CA 0.526 54.532 54.000 0.010 0.000 0.873 60 D CB 0.074 40.879 40.800 0.009 0.000 0.925 60 D HN 0.523 nan 8.370 nan 0.000 0.524 61 I N 3.057 123.632 120.570 0.008 0.000 2.337 61 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 61 I C -1.552 174.569 176.117 0.008 0.000 1.046 61 I CA -1.606 59.699 61.300 0.008 0.000 1.324 61 I CB 0.808 38.812 38.000 0.007 0.000 1.409 61 I HN -0.196 nan 8.210 nan 0.000 0.494 73 R N 2.076 122.502 120.500 -0.123 0.000 2.582 73 R HA 0.057 4.397 4.340 -0.000 0.000 0.271 73 R C 0.226 176.443 176.300 -0.139 0.000 1.078 73 R CA 0.541 56.521 56.100 -0.199 0.000 1.127 73 R CB 0.286 30.270 30.300 -0.526 0.000 1.038 73 R HN 0.115 nan 8.270 nan 0.000 0.500 74 D N 1.047 121.432 120.400 -0.025 0.000 2.427 74 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 74 D C -0.548 175.847 176.300 0.158 0.000 1.157 74 D CA -0.123 53.917 54.000 0.066 0.000 0.828 74 D CB -0.170 40.694 40.800 0.108 0.000 0.974 74 D HN 0.496 nan 8.370 nan 0.000 0.498 75 Y N -1.427 118.887 120.300 0.023 0.000 2.689 75 Y HA 0.570 5.120 4.550 -0.000 0.000 0.333 75 Y C -1.362 174.553 175.900 0.026 0.000 1.208 75 Y CA -1.864 56.253 58.100 0.027 0.000 1.055 75 Y CB 0.964 39.445 38.460 0.035 0.000 1.304 75 Y HN -0.053 nan 8.280 nan 0.000 0.455 76 I N 0.012 120.698 120.570 0.194 0.000 2.647 76 I HA 0.681 4.850 4.170 -0.000 0.000 0.295 76 I C -1.524 174.739 176.117 0.244 0.000 1.078 76 I CA -1.098 60.260 61.300 0.096 0.000 1.048 76 I CB 2.417 40.442 38.000 0.042 0.000 1.239 76 I HN 0.770 nan 8.210 nan 0.000 0.421 77 K N 5.467 125.986 120.400 0.199 0.000 2.358 77 K HA 0.569 4.888 4.320 -0.000 0.000 0.260 77 K C -1.084 175.582 176.600 0.110 0.000 0.956 77 K CA -0.681 55.723 56.287 0.194 0.000 0.834 77 K CB 1.700 34.350 32.500 0.251 0.000 1.102 77 K HN 0.735 nan 8.250 nan 0.000 0.431 78 R N 2.807 123.358 120.500 0.084 0.000 2.494 78 R HA 0.249 4.589 4.340 -0.000 0.000 0.305 78 R C -0.894 175.405 176.300 -0.002 0.000 0.959 78 R CA -0.700 55.432 56.100 0.055 0.000 0.864 78 R CB 1.881 32.224 30.300 0.072 0.000 1.159 78 R HN 0.584 nan 8.270 nan 0.000 0.446 79 E N 2.424 122.611 120.200 -0.022 0.000 2.129 79 E HA 0.363 4.713 4.350 -0.000 0.000 0.268 79 E C -0.987 175.534 176.600 -0.133 0.000 0.900 79 E CA -0.662 55.655 56.400 -0.139 0.000 0.755 79 E CB 2.130 31.821 29.700 -0.015 0.000 1.117 79 E HN 0.147 nan 8.360 nan 0.000 0.410 80 V N 2.961 122.720 119.914 -0.257 0.000 2.876 80 V HA 0.372 4.492 4.120 -0.000 0.000 0.312 80 V C -0.339 175.575 176.094 -0.300 0.000 1.085 80 V CA -1.039 61.129 62.300 -0.220 0.000 0.945 80 V CB 2.063 33.732 31.823 -0.256 0.000 1.017 80 V HN 0.701 nan 8.190 nan 0.000 0.428 81 M N 3.467 122.946 119.600 -0.202 0.000 2.111 81 M HA 0.382 4.862 4.480 -0.000 0.000 0.351 81 M C -0.631 175.493 176.300 -0.293 0.000 1.214 81 M CA -0.331 54.872 55.300 -0.160 0.000 1.120 81 M CB 0.884 33.463 32.600 -0.035 0.000 1.443 81 M HN 0.395 nan 8.290 nan 0.000 0.429 82 V N 7.368 127.027 119.914 -0.426 0.000 2.455 82 V HA 0.258 4.377 4.120 -0.000 0.000 0.273 82 V C -1.829 174.102 176.094 -0.273 0.000 1.045 82 V CA -1.201 60.727 62.300 -0.621 0.000 0.976 82 V CB 0.810 32.219 31.823 -0.689 0.000 0.993 82 V HN 0.562 nan 8.190 nan 0.000 0.475 83 P HA 0.298 nan 4.420 nan 0.000 0.279 83 P C -0.563 176.749 177.300 0.019 0.000 1.239 83 P CA -0.447 62.635 63.100 -0.030 0.000 0.789 83 P CB 0.878 32.594 31.700 0.027 0.000 0.933 84 M N 2.494 122.118 119.600 0.040 0.000 2.513 84 M HA 0.272 4.752 4.480 -0.000 0.000 0.291 84 M C 2.031 178.377 176.300 0.077 0.000 1.190 84 M CA -0.726 54.618 55.300 0.073 0.000 0.960 84 M CB 0.431 33.073 32.600 0.070 0.000 1.517 84 M HN 0.403 nan 8.290 nan 0.000 0.499 85 R N 0.589 121.139 120.500 0.084 0.000 2.200 85 R HA -0.150 4.189 4.340 -0.000 0.000 0.234 85 R C 0.313 176.638 176.300 0.042 0.000 1.127 85 R CA 1.844 57.981 56.100 0.062 0.000 0.989 85 R CB -0.549 29.774 30.300 0.038 0.000 0.869 85 R HN 0.653 nan 8.270 nan 0.000 0.459 86 D N -0.961 119.464 120.400 0.042 0.000 2.363 86 D HA 0.120 4.760 4.640 -0.000 0.000 0.214 86 D C 1.126 177.447 176.300 0.036 0.000 1.093 86 D CA 0.455 54.476 54.000 0.035 0.000 0.837 86 D CB 0.563 41.384 40.800 0.035 0.000 0.948 86 D HN 0.394 nan 8.370 nan 0.000 0.507 87 G N -0.152 108.672 108.800 0.040 0.000 2.217 87 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 87 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 87 G C 0.206 175.127 174.900 0.035 0.000 0.990 87 G CA 0.110 45.232 45.100 0.036 0.000 0.627 87 G HN 0.361 nan 8.290 nan 0.000 0.522 88 V N 2.028 121.965 119.914 0.039 0.000 2.572 88 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 88 V C 0.671 176.784 176.094 0.031 0.000 1.039 88 V CA 0.362 62.685 62.300 0.039 0.000 1.055 88 V CB 1.260 33.113 31.823 0.051 0.000 0.969 88 V HN 0.334 nan 8.190 nan 0.000 0.482 89 K N 6.018 126.432 120.400 0.024 0.000 2.185 89 K HA 0.626 4.946 4.320 -0.000 0.000 0.269 89 K C -1.018 175.592 176.600 0.018 0.000 0.987 89 K CA -0.471 55.817 56.287 0.002 0.000 0.865 89 K CB 1.559 34.058 32.500 -0.002 0.000 1.090 89 K HN 0.495 nan 8.250 nan 0.000 0.450 90 L N 3.103 124.322 121.223 -0.006 0.000 2.309 90 L HA 0.353 4.693 4.340 -0.000 0.000 0.282 90 L C -0.329 176.556 176.870 0.025 0.000 1.036 90 L CA -1.210 53.651 54.840 0.035 0.000 0.806 90 L CB 0.554 42.632 42.059 0.031 0.000 1.220 90 L HN 0.547 nan 8.230 nan 0.000 0.429 91 Y N 2.242 122.527 120.300 -0.025 0.000 2.465 91 Y HA 0.193 4.743 4.550 -0.000 0.000 0.331 91 Y C -0.217 175.668 175.900 -0.025 0.000 1.102 91 Y CA 0.144 58.229 58.100 -0.025 0.000 1.358 91 Y CB 0.682 39.149 38.460 0.011 0.000 1.213 91 Y HN 0.499 nan 8.280 nan 0.000 0.525 92 T N 6.356 120.595 114.554 -0.527 0.000 2.879 92 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 92 T C -1.192 173.223 174.700 -0.475 0.000 0.993 92 T CA -0.709 61.163 62.100 -0.381 0.000 0.975 92 T CB 1.169 69.861 68.868 -0.294 0.000 0.981 92 T HN 0.381 nan 8.240 nan 0.000 0.439 93 V N 4.413 124.176 119.914 -0.252 0.000 2.370 93 V HA 0.535 4.655 4.120 -0.000 0.000 0.283 93 V C -0.536 175.558 176.094 -0.000 0.000 1.023 93 V CA -0.786 61.438 62.300 -0.128 0.000 0.857 93 V CB 1.028 32.861 31.823 0.018 0.000 0.985 93 V HN 0.762 nan 8.190 nan 0.000 0.443 94 I N 5.336 125.915 120.570 0.014 0.000 2.389 94 I HA 0.435 4.605 4.170 -0.000 0.000 0.288 94 I C -0.273 175.892 176.117 0.081 0.000 0.999 94 I CA -0.363 60.970 61.300 0.054 0.000 1.129 94 I CB 1.950 39.993 38.000 0.071 0.000 1.288 94 I HN 0.294 nan 8.210 nan 0.000 0.444 95 V N 7.479 127.442 119.914 0.082 0.000 2.328 95 V HA 0.470 4.590 4.120 -0.000 0.000 0.278 95 V C 0.054 176.202 176.094 0.090 0.000 1.021 95 V CA -0.432 61.923 62.300 0.092 0.000 0.838 95 V CB 0.992 32.829 31.823 0.024 0.000 0.999 95 V HN 0.475 nan 8.190 nan 0.000 0.447 96 I N 7.240 127.886 120.570 0.128 0.000 2.378 96 I HA 0.419 4.588 4.170 -0.000 0.000 0.291 96 I C -2.427 173.772 176.117 0.137 0.000 0.992 96 I CA -2.264 59.098 61.300 0.105 0.000 1.154 96 I CB 2.403 40.452 38.000 0.081 0.000 1.315 96 I HN 0.387 nan 8.210 nan 0.000 0.448 97 P HA 0.085 nan 4.420 nan 0.000 0.268 97 P C -0.694 176.658 177.300 0.087 0.000 1.205 97 P CA -0.374 62.796 63.100 0.117 0.000 0.771 97 P CB 0.483 32.235 31.700 0.086 0.000 0.858 98 K N 2.433 122.883 120.400 0.083 0.000 2.485 98 K HA -0.037 4.283 4.320 -0.000 0.000 0.277 98 K C 0.460 177.077 176.600 0.029 0.000 0.990 98 K CA 0.568 56.881 56.287 0.043 0.000 0.994 98 K CB -0.561 31.955 32.500 0.025 0.000 0.906 98 K HN 0.447 nan 8.250 nan 0.000 0.488 99 N N -0.233 118.477 118.700 0.016 0.000 2.708 99 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 99 N C -1.217 174.297 175.510 0.006 0.000 1.097 99 N CA 0.580 53.634 53.050 0.008 0.000 0.710 99 N CB -0.646 37.844 38.487 0.006 0.000 1.032 99 N HN 0.609 nan 8.380 nan 0.000 0.551 100 A N 0.659 123.485 122.820 0.010 0.000 2.331 100 A HA 0.663 4.983 4.320 -0.000 0.000 0.283 100 A C 0.502 178.078 177.584 -0.015 0.000 1.142 100 A CA -0.042 51.996 52.037 0.001 0.000 0.812 100 A CB 0.756 19.762 19.000 0.010 0.000 1.074 100 A HN 0.355 nan 8.150 nan 0.000 0.497 101 R N 1.703 122.187 120.500 -0.028 0.000 2.564 101 R HA 0.370 4.709 4.340 -0.000 0.000 0.284 101 R C -0.656 175.612 176.300 -0.053 0.000 1.031 101 R CA -0.388 55.690 56.100 -0.037 0.000 0.904 101 R CB 0.769 31.051 30.300 -0.030 0.000 1.199 101 R HN 0.989 nan 8.270 nan 0.000 0.443 102 N N 0.758 119.420 118.700 -0.064 0.000 2.740 102 N HA -0.255 4.485 4.740 -0.000 0.000 0.248 102 N C -1.070 174.376 175.510 -0.106 0.000 1.062 102 N CA 0.705 53.706 53.050 -0.081 0.000 0.704 102 N CB -0.592 37.851 38.487 -0.072 0.000 0.968 102 N HN 0.573 nan 8.380 nan 0.000 0.547 103 A N 0.406 123.160 122.820 -0.110 0.000 2.310 103 A HA 0.614 4.934 4.320 -0.000 0.000 0.299 103 A C -1.919 175.547 177.584 -0.197 0.000 1.147 103 A CA -1.282 50.661 52.037 -0.156 0.000 0.818 103 A CB 0.737 19.674 19.000 -0.105 0.000 1.096 103 A HN 0.064 nan 8.150 nan 0.000 0.495 104 P HA 0.347 nan 4.420 nan 0.000 0.274 104 P C -0.725 176.464 177.300 -0.184 0.000 1.237 104 P CA 0.034 62.951 63.100 -0.305 0.000 0.793 104 P CB 0.726 32.119 31.700 -0.512 0.000 0.977 105 I N 1.392 121.915 120.570 -0.077 0.000 2.412 105 I HA 0.305 4.474 4.170 -0.000 0.000 0.296 105 I C 0.043 176.181 176.117 0.035 0.000 0.987 105 I CA -0.940 60.351 61.300 -0.014 0.000 1.180 105 I CB 1.531 39.504 38.000 -0.046 0.000 1.340 105 I HN 0.145 nan 8.210 nan 0.000 0.455 106 L N 7.433 128.663 121.223 0.011 0.000 2.316 106 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 106 L C -1.128 175.633 176.870 -0.181 0.000 1.006 106 L CA -0.405 54.377 54.840 -0.097 0.000 0.836 106 L CB 1.353 43.225 42.059 -0.311 0.000 1.221 106 L HN 0.459 nan 8.230 nan 0.000 0.418 107 L N 4.560 125.697 121.223 -0.145 0.000 2.334 107 L HA 0.821 5.161 4.340 -0.000 0.000 0.276 107 L C -0.634 176.126 176.870 -0.183 0.000 1.014 107 L CA 0.382 55.118 54.840 -0.172 0.000 0.815 107 L CB 2.170 44.175 42.059 -0.090 0.000 1.268 107 L HN 0.656 nan 8.230 nan 0.000 0.428 108 T N 4.493 118.896 114.554 -0.252 0.000 2.971 108 T HA 0.553 4.903 4.350 -0.000 0.000 0.304 108 T C -0.836 173.870 174.700 0.009 0.000 1.038 108 T CA -0.637 61.385 62.100 -0.131 0.000 1.007 108 T CB 1.354 70.099 68.868 -0.204 0.000 1.055 108 T HN 0.543 nan 8.240 nan 0.000 0.451 109 R N 1.534 122.099 120.500 0.109 0.000 2.387 109 R HA 0.753 5.092 4.340 -0.000 0.000 0.314 109 R C -0.444 175.988 176.300 0.219 0.000 0.958 109 R CA -0.798 55.398 56.100 0.159 0.000 0.846 109 R CB 1.836 32.226 30.300 0.149 0.000 1.147 109 R HN 0.538 nan 8.270 nan 0.000 0.447 110 T N 2.132 116.802 114.554 0.193 0.000 2.916 110 T HA 0.413 4.763 4.350 -0.000 0.000 0.305 110 T C -2.358 172.303 174.700 -0.066 0.000 1.119 110 T CA -2.007 60.162 62.100 0.115 0.000 1.008 110 T CB 1.862 70.857 68.868 0.212 0.000 1.129 110 T HN 0.351 nan 8.240 nan 0.000 0.480 111 P HA 0.239 nan 4.420 nan 0.000 0.268 111 P C -0.412 176.665 177.300 -0.371 0.000 1.329 111 P CA -0.023 62.766 63.100 -0.518 0.000 0.899 111 P CB -0.101 30.977 31.700 -1.036 0.000 1.378 112 Y N 0.554 120.840 120.300 -0.023 0.000 2.801 112 Y HA 0.319 4.868 4.550 -0.000 0.000 0.318 112 Y C 0.441 176.128 175.900 -0.355 0.000 1.073 112 Y CA -1.467 56.581 58.100 -0.086 0.000 1.360 112 Y CB -1.258 37.199 38.460 -0.004 0.000 1.220 112 Y HN 0.059 nan 8.280 nan 0.000 0.536 113 N N 0.308 118.660 118.700 -0.580 0.000 2.411 113 N HA -0.218 4.522 4.740 -0.000 0.000 0.286 113 N C 0.920 176.244 175.510 -0.309 0.000 1.382 113 N CA 0.193 52.734 53.050 -0.848 0.000 0.630 113 N CB -0.111 37.633 38.487 -1.238 0.000 0.904 113 N HN 0.536 nan 8.380 nan 0.000 0.516 114 A N 3.738 126.499 122.820 -0.098 0.000 1.908 114 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 114 A C 1.948 179.536 177.584 0.005 0.000 1.181 114 A CA 1.921 53.983 52.037 0.043 0.000 0.627 114 A CB -0.278 18.877 19.000 0.257 0.000 0.818 114 A HN 0.771 nan 8.150 nan 0.000 0.445 115 K N -0.772 119.664 120.400 0.060 0.000 2.097 115 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 115 K C 1.933 178.492 176.600 -0.069 0.000 1.049 115 K CA 1.422 57.746 56.287 0.062 0.000 0.933 115 K CB -0.438 32.066 32.500 0.007 0.000 0.717 115 K HN 0.415 nan 8.250 nan 0.000 0.442 116 G N 0.477 109.183 108.800 -0.157 0.000 2.430 116 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 116 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 116 G C 1.393 176.162 174.900 -0.219 0.000 1.146 116 G CA -0.075 44.927 45.100 -0.164 0.000 0.793 116 G HN 0.137 nan 8.290 nan 0.000 0.537 117 R N 0.880 121.177 120.500 -0.338 0.000 2.115 117 R HA 0.067 4.406 4.340 -0.000 0.000 0.230 117 R C 2.143 178.016 176.300 -0.713 0.000 1.111 117 R CA 0.994 56.746 56.100 -0.579 0.000 0.976 117 R CB -0.550 29.215 30.300 -0.892 0.000 0.870 117 R HN 0.321 nan 8.270 nan 0.000 0.445 118 A N 0.846 123.354 122.820 -0.521 0.000 2.462 118 A HA 0.148 4.468 4.320 -0.000 0.000 0.261 118 A C 0.141 177.647 177.584 -0.129 0.000 1.323 118 A CA -0.149 51.733 52.037 -0.258 0.000 0.913 118 A CB -0.008 18.962 19.000 -0.050 0.000 1.028 118 A HN 0.059 nan 8.150 nan 0.000 0.511 119 N N 0.006 118.625 118.700 -0.135 0.000 2.646 119 N HA 0.095 4.835 4.740 -0.000 0.000 0.296 119 N C 0.998 176.468 175.510 -0.066 0.000 1.886 119 N CA -0.278 52.729 53.050 -0.070 0.000 0.855 119 N CB 0.276 38.738 38.487 -0.041 0.000 1.336 119 N HN 0.395 nan 8.380 nan 0.000 0.496 120 R N -0.196 120.260 120.500 -0.072 0.000 2.083 120 R HA 0.003 4.343 4.340 -0.000 0.000 0.237 120 R C -0.219 176.068 176.300 -0.021 0.000 1.137 120 R CA 1.331 57.404 56.100 -0.045 0.000 0.951 120 R CB 0.053 30.332 30.300 -0.035 0.000 0.851 120 R HN -0.004 nan 8.270 nan 0.000 0.434 121 V N 4.583 124.489 119.914 -0.013 0.000 2.313 121 V HA 0.251 4.371 4.120 -0.000 0.000 0.278 121 V C -2.249 173.853 176.094 0.013 0.000 1.017 121 V CA -1.868 60.434 62.300 0.004 0.000 0.823 121 V CB 1.471 33.302 31.823 0.014 0.000 1.010 121 V HN 0.223 nan 8.190 nan 0.000 0.443 122 P HA 0.007 nan 4.420 nan 0.000 0.260 122 P C 0.315 177.645 177.300 0.049 0.000 1.185 122 P CA 0.578 63.691 63.100 0.023 0.000 0.763 122 P CB -0.097 31.613 31.700 0.015 0.000 0.776 123 N N -0.358 118.388 118.700 0.077 0.000 2.708 123 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 123 N C 0.282 175.874 175.510 0.136 0.000 1.097 123 N CA 0.326 53.445 53.050 0.116 0.000 0.710 123 N CB -1.296 37.235 38.487 0.073 0.000 1.032 123 N HN 0.631 nan 8.380 nan 0.000 0.551 124 A N -0.003 122.907 122.820 0.151 0.000 2.536 124 A HA 0.152 4.471 4.320 -0.000 0.000 0.234 124 A C 1.408 179.130 177.584 0.229 0.000 1.076 124 A CA 0.204 52.331 52.037 0.150 0.000 0.769 124 A CB 0.260 19.328 19.000 0.113 0.000 1.020 124 A HN 0.359 nan 8.150 nan 0.000 0.508 125 L N 0.298 121.613 121.223 0.154 0.000 2.341 125 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 125 L C 1.400 178.394 176.870 0.207 0.000 1.115 125 L CA 1.261 56.174 54.840 0.121 0.000 0.820 125 L CB -0.604 41.489 42.059 0.058 0.000 0.944 125 L HN 0.928 nan 8.230 nan 0.000 0.452 126 T N -4.368 110.329 114.554 0.239 0.000 2.885 126 T HA 0.270 4.619 4.350 -0.000 0.000 0.285 126 T C 0.655 175.470 174.700 0.191 0.000 1.019 126 T CA -0.671 61.570 62.100 0.234 0.000 1.010 126 T CB 2.367 71.302 68.868 0.112 0.000 1.022 126 T HN 0.007 nan 8.240 nan 0.000 0.466 127 M N 0.793 120.475 119.600 0.136 0.000 2.213 127 M HA 0.001 4.481 4.480 -0.000 0.000 0.263 127 M C 2.362 178.594 176.300 -0.114 0.000 1.062 127 M CA 1.440 56.627 55.300 -0.188 0.000 1.105 127 M CB -0.210 32.356 32.600 -0.056 0.000 1.385 127 M HN 0.746 nan 8.290 nan 0.000 0.417 128 R N 0.664 121.152 120.500 -0.021 0.000 2.105 128 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 128 R C 1.604 177.891 176.300 -0.021 0.000 1.135 128 R CA 2.178 58.270 56.100 -0.014 0.000 0.967 128 R CB -0.353 29.951 30.300 0.006 0.000 0.861 128 R HN 0.535 nan 8.270 nan 0.000 0.442 129 E N -1.064 119.129 120.200 -0.012 0.000 2.112 129 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 129 E C 1.857 178.437 176.600 -0.033 0.000 0.979 129 E CA 1.046 57.442 56.400 -0.006 0.000 0.814 129 E CB -0.022 29.691 29.700 0.022 0.000 0.762 129 E HN 0.107 nan 8.360 nan 0.000 0.460 130 V N 1.223 121.086 119.914 -0.084 0.000 2.667 130 V HA -0.064 4.056 4.120 -0.000 0.000 0.252 130 V C 0.856 176.882 176.094 -0.113 0.000 1.065 130 V CA 0.896 63.120 62.300 -0.125 0.000 1.083 130 V CB -0.003 31.645 31.823 -0.291 0.000 0.692 130 V HN 0.076 nan 8.190 nan 0.000 0.468 131 L N 0.549 121.716 121.223 -0.094 0.000 2.360 131 L HA 0.422 4.762 4.340 -0.000 0.000 0.271 131 L C -2.176 174.685 176.870 -0.015 0.000 1.057 131 L CA -2.024 52.798 54.840 -0.030 0.000 0.803 131 L CB 0.926 42.992 42.059 0.011 0.000 1.207 131 L HN -0.000 nan 8.230 nan 0.000 0.445 132 P HA -0.052 nan 4.420 nan 0.000 0.270 132 P C 0.046 177.331 177.300 -0.025 0.000 1.227 132 P CA -0.128 62.966 63.100 -0.009 0.000 0.788 132 P CB 0.478 32.179 31.700 0.001 0.000 0.926 133 Q N 1.264 121.034 119.800 -0.050 0.000 2.135 133 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 133 Q C 1.940 177.883 176.000 -0.095 0.000 0.981 133 Q CA 2.167 57.934 55.803 -0.060 0.000 0.856 133 Q CB -0.945 27.774 28.738 -0.032 0.000 0.902 133 Q HN 0.697 nan 8.270 nan 0.000 0.425 134 G N -0.255 108.446 108.800 -0.164 0.000 2.598 134 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 134 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 134 G C 0.504 175.389 174.900 -0.024 0.000 1.131 134 G CA 0.711 45.736 45.100 -0.124 0.000 0.785 134 G HN 0.353 nan 8.290 nan 0.000 0.539 135 D N 0.784 121.185 120.400 0.002 0.000 2.339 135 D HA 0.037 4.676 4.640 -0.000 0.000 0.217 135 D C 1.968 178.280 176.300 0.021 0.000 1.050 135 D CA 0.401 54.439 54.000 0.063 0.000 0.856 135 D CB 0.119 40.953 40.800 0.058 0.000 0.922 135 D HN 0.387 nan 8.370 nan 0.000 0.518 136 D N 1.037 121.418 120.400 -0.033 0.000 2.127 136 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 136 D C 2.097 178.328 176.300 -0.115 0.000 1.000 136 D CA 2.024 55.995 54.000 -0.049 0.000 0.839 136 D CB -0.998 39.789 40.800 -0.022 0.000 0.955 136 D HN 0.268 nan 8.370 nan 0.000 0.446 137 V N -2.116 117.640 119.914 -0.262 0.000 2.568 137 V HA -0.174 3.946 4.120 -0.000 0.000 0.253 137 V C 2.432 178.193 176.094 -0.555 0.000 1.072 137 V CA 1.420 63.447 62.300 -0.455 0.000 1.084 137 V CB -1.295 30.096 31.823 -0.720 0.000 0.676 137 V HN 0.013 nan 8.190 nan 0.000 0.469 138 F N 0.205 119.945 119.950 -0.351 0.000 2.367 138 F HA 0.142 4.669 4.527 -0.000 0.000 0.298 138 F C 2.359 178.090 175.800 -0.116 0.000 1.094 138 F CA 1.148 58.892 58.000 -0.427 0.000 1.409 138 F CB -0.660 37.941 39.000 -0.664 0.000 1.064 138 F HN -0.006 nan 8.300 nan 0.000 0.528 139 V N 0.002 119.952 119.914 0.061 0.000 2.379 139 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 139 V C 2.071 178.197 176.094 0.053 0.000 1.044 139 V CA 1.799 64.137 62.300 0.063 0.000 1.036 139 V CB -0.555 31.282 31.823 0.024 0.000 0.664 139 V HN 0.287 nan 8.190 nan 0.000 0.453 140 E N 0.437 120.639 120.200 0.003 0.000 2.153 140 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 140 E C 2.163 178.780 176.600 0.029 0.000 0.988 140 E CA 1.168 57.568 56.400 -0.000 0.000 0.811 140 E CB -0.346 29.331 29.700 -0.039 0.000 0.746 140 E HN 0.641 nan 8.360 nan 0.000 0.466 141 G N -0.178 108.663 108.800 0.069 0.000 2.813 141 G HA2 0.131 4.091 3.960 -0.000 0.000 0.209 141 G HA3 0.131 4.091 3.960 -0.000 0.000 0.209 141 G C 0.987 176.020 174.900 0.223 0.000 1.150 141 G CA 0.194 45.396 45.100 0.170 0.000 0.785 141 G HN 0.374 nan 8.290 nan 0.000 0.535 142 G N -1.130 107.790 108.800 0.201 0.000 2.182 142 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 142 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 142 G C 0.005 174.991 174.900 0.143 0.000 1.042 142 G CA -0.128 45.051 45.100 0.133 0.000 0.775 142 G HN 0.344 nan 8.290 nan 0.000 0.501 143 Y N -0.621 119.710 120.300 0.053 0.000 2.301 143 Y HA 0.599 5.149 4.550 -0.000 0.000 0.328 143 Y C 1.479 177.384 175.900 0.009 0.000 1.242 143 Y CA -0.790 57.333 58.100 0.039 0.000 1.323 143 Y CB 0.647 39.146 38.460 0.064 0.000 1.266 143 Y HN 0.187 nan 8.280 nan 0.000 0.527 144 I N 3.005 123.644 120.570 0.115 0.000 2.396 144 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 144 I C -0.124 176.023 176.117 0.050 0.000 0.999 144 I CA -0.656 60.682 61.300 0.062 0.000 1.310 144 I CB 1.136 39.147 38.000 0.018 0.000 1.404 144 I HN 0.397 nan 8.210 nan 0.000 0.496 145 R N 4.965 125.478 120.500 0.022 0.000 2.514 145 R HA 0.689 5.029 4.340 -0.000 0.000 0.301 145 R C -1.679 174.591 176.300 -0.051 0.000 0.962 145 R CA -0.494 55.577 56.100 -0.048 0.000 0.882 145 R CB 1.529 31.821 30.300 -0.014 0.000 1.143 145 R HN 0.389 nan 8.270 nan 0.000 0.452 146 V N 5.217 125.034 119.914 -0.162 0.000 2.577 146 V HA 0.528 4.648 4.120 -0.000 0.000 0.303 146 V C -1.068 174.871 176.094 -0.257 0.000 1.042 146 V CA -0.631 61.603 62.300 -0.109 0.000 0.872 146 V CB 1.548 33.330 31.823 -0.070 0.000 0.998 146 V HN 0.614 nan 8.190 nan 0.000 0.423 147 F N 2.938 122.882 119.950 -0.011 0.000 2.482 147 F HA 0.649 5.176 4.527 -0.000 0.000 0.331 147 F C 0.120 175.923 175.800 0.005 0.000 1.115 147 F CA -0.276 57.730 58.000 0.010 0.000 0.955 147 F CB 2.007 41.019 39.000 0.021 0.000 1.136 147 F HN 0.425 nan 8.300 nan 0.000 0.452 148 Q N 2.766 122.685 119.800 0.198 0.000 2.347 148 Q HA 0.278 4.618 4.340 -0.000 0.000 0.271 148 Q C -1.683 174.420 176.000 0.172 0.000 1.064 148 Q CA -0.968 54.915 55.803 0.133 0.000 0.800 148 Q CB 1.855 30.628 28.738 0.058 0.000 1.304 148 Q HN 0.492 nan 8.270 nan 0.000 0.438 149 D N 4.269 124.786 120.400 0.195 0.000 2.348 149 D HA 0.181 4.821 4.640 -0.000 0.000 0.253 149 D C 0.521 176.909 176.300 0.145 0.000 1.161 149 D CA 0.052 54.158 54.000 0.177 0.000 0.876 149 D CB 0.527 41.458 40.800 0.218 0.000 1.160 149 D HN 0.549 nan 8.370 nan 0.000 0.459 150 I N -0.866 119.784 120.570 0.132 0.000 3.194 150 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 150 I C 0.843 177.056 176.117 0.160 0.000 1.199 150 I CA -0.822 60.576 61.300 0.164 0.000 1.328 150 I CB 0.635 38.770 38.000 0.225 0.000 1.404 150 I HN 0.148 nan 8.210 nan 0.000 0.618 151 R N 2.463 123.077 120.500 0.190 0.000 2.486 151 R HA 0.142 4.481 4.340 -0.000 0.000 0.303 151 R C 0.950 177.381 176.300 0.218 0.000 0.958 151 R CA 1.227 57.434 56.100 0.178 0.000 1.077 151 R CB -0.304 30.101 30.300 0.175 0.000 0.921 151 R HN 1.147 nan 8.270 nan 0.000 0.406 152 G N 3.055 111.942 108.800 0.145 0.000 2.176 152 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 152 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 152 G C -0.395 174.502 174.900 -0.005 0.000 0.979 152 G CA 0.138 45.316 45.100 0.129 0.000 0.641 152 G HN 0.520 nan 8.290 nan 0.000 0.530 153 K N -0.726 119.645 120.400 -0.048 0.000 2.318 153 K HA 0.663 4.983 4.320 -0.000 0.000 0.249 153 K C 0.933 177.527 176.600 -0.011 0.000 0.942 153 K CA -0.811 55.379 56.287 -0.160 0.000 0.808 153 K CB 1.507 33.884 32.500 -0.205 0.000 1.189 153 K HN 0.163 nan 8.250 nan 0.000 0.428 154 Y N 0.269 120.491 120.300 -0.131 0.000 2.796 154 Y HA -0.452 4.098 4.550 -0.000 0.000 0.472 154 Y C 1.796 177.612 175.900 -0.140 0.000 1.126 154 Y CA 2.171 60.193 58.100 -0.130 0.000 2.780 154 Y CB -1.440 36.942 38.460 -0.130 0.000 1.152 154 Y HN 0.809 nan 8.280 nan 0.000 0.616 155 G N -0.151 108.644 108.800 -0.008 0.000 2.813 155 G HA2 0.235 4.195 3.960 -0.000 0.000 0.209 155 G HA3 0.235 4.195 3.960 -0.000 0.000 0.209 155 G C 0.205 175.129 174.900 0.039 0.000 1.150 155 G CA 0.711 45.726 45.100 -0.141 0.000 0.785 155 G HN 0.294 nan 8.290 nan 0.000 0.535 156 S N 0.021 115.773 115.700 0.086 0.000 2.632 156 S HA 0.406 4.876 4.470 -0.000 0.000 0.271 156 S C 0.201 174.834 174.600 0.055 0.000 1.260 156 S CA -0.479 57.779 58.200 0.096 0.000 1.010 156 S CB 1.458 64.724 63.200 0.110 0.000 0.965 156 S HN 0.413 nan 8.310 nan 0.000 0.534 157 Q N -0.024 119.810 119.800 0.056 0.000 2.169 157 Q HA 0.672 5.012 4.340 -0.000 0.000 0.234 157 Q C 0.468 176.503 176.000 0.058 0.000 0.980 157 Q CA -0.445 55.385 55.803 0.045 0.000 0.941 157 Q CB 1.022 29.783 28.738 0.040 0.000 1.199 157 Q HN 0.967 nan 8.270 nan 0.000 0.496 158 G N 0.652 109.485 108.800 0.054 0.000 2.655 158 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.680 158 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.680 158 G C -1.612 173.336 174.900 0.081 0.000 1.302 158 G CA -0.888 44.253 45.100 0.068 0.000 0.872 158 G HN 0.546 nan 8.290 nan 0.000 0.540 159 D N -0.237 120.218 120.400 0.091 0.000 2.177 159 D HA 0.481 5.121 4.640 -0.000 0.000 0.247 159 D C -0.312 176.083 176.300 0.158 0.000 1.063 159 D CA 0.075 54.135 54.000 0.101 0.000 0.867 159 D CB 1.396 42.236 40.800 0.068 0.000 1.168 159 D HN 0.506 nan 8.370 nan 0.000 0.445 160 Y N 1.801 122.125 120.300 0.040 0.000 2.326 160 Y HA 0.408 4.958 4.550 -0.000 0.000 0.337 160 Y C -0.935 175.010 175.900 0.074 0.000 1.023 160 Y CA -0.478 57.654 58.100 0.054 0.000 1.143 160 Y CB 0.808 39.280 38.460 0.021 0.000 1.183 160 Y HN 0.057 nan 8.280 nan 0.000 0.485 161 V N 8.308 127.861 119.914 -0.602 0.000 2.443 161 V HA 0.172 4.292 4.120 -0.000 0.000 0.293 161 V C -0.138 175.536 176.094 -0.700 0.000 1.021 161 V CA -1.008 61.011 62.300 -0.469 0.000 0.848 161 V CB 1.278 33.032 31.823 -0.115 0.000 0.998 161 V HN 0.897 nan 8.190 nan 0.000 0.424 162 M N 5.636 124.848 119.600 -0.648 0.000 2.290 162 M HA 0.140 4.620 4.480 -0.000 0.000 0.356 162 M C 1.031 177.239 176.300 -0.153 0.000 1.448 162 M CA 1.054 56.093 55.300 -0.434 0.000 0.993 162 M CB -0.399 31.702 32.600 -0.832 0.000 1.934 162 M HN 1.157 nan 8.290 nan 0.000 0.461 163 T N 2.342 116.859 114.554 -0.060 0.000 3.558 163 T HA -0.265 4.085 4.350 -0.000 0.000 0.391 163 T C 0.175 174.950 174.700 0.126 0.000 0.766 163 T CA 0.980 62.875 62.100 -0.342 0.000 1.951 163 T CB -1.696 66.915 68.868 -0.429 0.000 1.743 163 T HN 0.981 nan 8.240 nan 0.000 0.688 164 R N 1.541 122.184 120.500 0.239 0.000 2.526 164 R HA 0.106 4.446 4.340 -0.000 0.000 0.319 164 R C -2.022 174.442 176.300 0.273 0.000 0.888 164 R CA -0.850 55.380 56.100 0.217 0.000 1.127 164 R CB 0.205 30.631 30.300 0.209 0.000 0.888 164 R HN 0.340 nan 8.270 nan 0.000 0.410 165 P HA 0.108 nan 4.420 nan 0.000 0.272 165 P C -2.461 174.904 177.300 0.108 0.000 1.223 165 P CA -1.203 61.967 63.100 0.116 0.000 0.784 165 P CB 0.306 32.007 31.700 0.001 0.000 0.923 166 P HA 0.042 nan 4.420 nan 0.000 0.274 166 P C -0.373 176.978 177.300 0.086 0.000 1.246 166 P CA -0.057 63.098 63.100 0.093 0.000 0.795 166 P CB 0.141 31.889 31.700 0.080 0.000 1.006 167 H N -0.296 118.790 119.070 0.026 0.000 3.125 167 H HA 0.373 4.929 4.556 -0.000 0.000 0.310 167 H C 0.789 176.122 175.328 0.008 0.000 0.980 167 H CA 2.293 58.351 56.048 0.015 0.000 1.422 167 H CB -0.600 29.167 29.762 0.008 0.000 1.432 167 H HN 0.773 nan 8.280 nan 0.000 0.577 168 G N 3.978 112.482 108.800 -0.492 0.000 2.368 168 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.269 168 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.269 168 G C -2.090 172.663 174.900 -0.246 0.000 1.291 168 G CA -0.349 44.553 45.100 -0.330 0.000 0.903 168 G HN 0.439 nan 8.290 nan 0.000 0.483 169 P HA 0.035 nan 4.420 nan 0.000 0.219 169 P C 1.559 178.804 177.300 -0.091 0.000 1.146 169 P CA 1.006 64.040 63.100 -0.110 0.000 0.808 169 P CB 0.128 31.776 31.700 -0.087 0.000 0.779 170 L N -1.930 119.236 121.223 -0.095 0.000 2.607 170 L HA 0.223 4.563 4.340 -0.000 0.000 0.228 170 L C 0.637 177.484 176.870 -0.038 0.000 1.123 170 L CA 0.156 54.956 54.840 -0.067 0.000 0.890 170 L CB -0.410 41.579 42.059 -0.118 0.000 1.103 170 L HN -0.016 nan 8.230 nan 0.000 0.468 171 N N 0.171 118.834 118.700 -0.061 0.000 2.827 171 N HA 0.144 4.883 4.740 -0.000 0.000 0.240 171 N C -2.390 173.077 175.510 -0.073 0.000 1.352 171 N CA -1.041 51.996 53.050 -0.021 0.000 0.760 171 N CB 1.366 39.872 38.487 0.032 0.000 1.426 171 N HN -0.262 nan 8.380 nan 0.000 0.561 172 P HA 0.057 nan 4.420 nan 0.000 0.249 172 P C 0.430 177.799 177.300 0.115 0.000 1.229 172 P CA 0.276 63.353 63.100 -0.039 0.000 0.788 172 P CB -0.091 31.595 31.700 -0.024 0.000 1.072 173 T N -2.193 112.440 114.554 0.132 0.000 2.698 173 T HA 0.161 4.510 4.350 -0.000 0.000 0.295 173 T C 1.238 176.038 174.700 0.168 0.000 1.007 173 T CA -0.318 61.859 62.100 0.129 0.000 0.980 173 T CB 0.800 69.724 68.868 0.092 0.000 1.036 173 T HN -0.160 nan 8.240 nan 0.000 0.526 174 K N 0.514 120.956 120.400 0.069 0.000 2.459 174 K HA 0.107 4.427 4.320 -0.000 0.000 0.193 174 K C 1.128 177.717 176.600 -0.018 0.000 1.030 174 K CA 0.416 56.695 56.287 -0.013 0.000 1.026 174 K CB -0.219 32.268 32.500 -0.021 0.000 0.809 174 K HN 0.912 nan 8.250 nan 0.000 0.504 175 T N -0.535 114.045 114.554 0.044 0.000 2.916 175 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 175 T C -0.781 173.974 174.700 0.092 0.000 1.064 175 T CA -0.876 61.256 62.100 0.054 0.000 1.011 175 T CB 2.624 71.530 68.868 0.063 0.000 1.152 175 T HN 0.066 nan 8.240 nan 0.000 0.510 176 D N -0.756 119.702 120.400 0.096 0.000 2.851 176 D HA 0.239 4.879 4.640 -0.000 0.000 0.339 176 D C 0.490 176.863 176.300 0.122 0.000 1.347 176 D CA -0.660 53.411 54.000 0.117 0.000 0.888 176 D CB 0.033 40.906 40.800 0.121 0.000 1.431 176 D HN 0.359 nan 8.370 nan 0.000 0.509 177 E N -0.526 119.750 120.200 0.126 0.000 2.268 177 E HA -0.036 4.313 4.350 -0.000 0.000 0.195 177 E C 1.444 178.098 176.600 0.089 0.000 0.995 177 E CA 1.247 57.718 56.400 0.117 0.000 0.836 177 E CB -0.378 29.378 29.700 0.093 0.000 0.763 177 E HN 0.570 nan 8.360 nan 0.000 0.491 178 T N 0.604 115.206 114.554 0.081 0.000 2.812 178 T HA -0.107 4.243 4.350 -0.000 0.000 0.264 178 T C 2.131 176.927 174.700 0.161 0.000 1.042 178 T CA 1.910 64.071 62.100 0.102 0.000 1.140 178 T CB -0.299 68.619 68.868 0.084 0.000 0.870 178 T HN 0.407 nan 8.240 nan 0.000 0.445 179 T N 0.527 115.157 114.554 0.126 0.000 2.904 179 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 179 T C 1.533 176.358 174.700 0.208 0.000 1.059 179 T CA 1.043 63.227 62.100 0.140 0.000 1.137 179 T CB -0.406 68.485 68.868 0.038 0.000 0.879 179 T HN 0.110 nan 8.240 nan 0.000 0.467 180 D N 2.098 122.596 120.400 0.163 0.000 2.117 180 D HA 0.064 4.704 4.640 -0.000 0.000 0.197 180 D C 2.422 178.822 176.300 0.166 0.000 0.987 180 D CA 1.483 55.575 54.000 0.155 0.000 0.829 180 D CB -0.631 40.251 40.800 0.136 0.000 0.961 180 D HN 0.587 nan 8.370 nan 0.000 0.460 181 A N -0.438 122.483 122.820 0.169 0.000 1.968 181 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 181 A C 2.121 179.808 177.584 0.171 0.000 1.169 181 A CA 0.870 52.990 52.037 0.139 0.000 0.638 181 A CB -0.975 18.095 19.000 0.116 0.000 0.812 181 A HN 0.357 nan 8.150 nan 0.000 0.446 182 W N 1.045 122.395 121.300 0.082 0.000 2.378 182 W HA -0.123 4.537 4.660 -0.000 0.000 0.313 182 W C 1.415 178.010 176.519 0.127 0.000 1.197 182 W CA 1.725 59.150 57.345 0.133 0.000 1.304 182 W CB 0.089 29.628 29.460 0.132 0.000 1.148 182 W HN 0.347 nan 8.180 nan 0.000 0.494 183 D N -0.738 119.975 120.400 0.521 0.000 2.178 183 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 183 D C 2.085 178.505 176.300 0.200 0.000 0.980 183 D CA 1.993 56.227 54.000 0.391 0.000 0.842 183 D CB -0.772 40.204 40.800 0.294 0.000 0.948 183 D HN 0.153 nan 8.370 nan 0.000 0.472 184 T N 0.447 115.075 114.554 0.123 0.000 2.701 184 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 184 T C 2.295 177.009 174.700 0.022 0.000 1.040 184 T CA 0.768 62.909 62.100 0.069 0.000 1.147 184 T CB -0.381 68.510 68.868 0.037 0.000 0.865 184 T HN -0.036 nan 8.240 nan 0.000 0.426 185 V N 1.848 121.686 119.914 -0.127 0.000 2.392 185 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 185 V C 2.357 178.140 176.094 -0.519 0.000 1.059 185 V CA 2.009 64.108 62.300 -0.335 0.000 1.051 185 V CB -0.659 30.874 31.823 -0.483 0.000 0.658 185 V HN 0.480 nan 8.190 nan 0.000 0.455 186 D N -1.388 118.675 120.400 -0.561 0.000 2.097 186 D HA -0.251 4.388 4.640 -0.000 0.000 0.195 186 D C 1.864 178.196 176.300 0.053 0.000 0.989 186 D CA 1.579 55.379 54.000 -0.333 0.000 0.827 186 D CB -0.228 40.534 40.800 -0.065 0.000 0.966 186 D HN 0.547 nan 8.370 nan 0.000 0.456 187 W N 0.666 121.933 121.300 -0.056 0.000 2.358 187 W HA -0.120 4.540 4.660 -0.000 0.000 0.303 187 W C 1.951 178.461 176.519 -0.015 0.000 1.208 187 W CA 1.258 58.603 57.345 0.001 0.000 1.274 187 W CB -0.255 29.204 29.460 -0.002 0.000 1.138 187 W HN 0.021 nan 8.180 nan 0.000 0.515 188 L N 0.114 121.481 121.223 0.239 0.000 1.994 188 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 188 L C 2.505 179.289 176.870 -0.144 0.000 1.071 188 L CA 1.721 56.616 54.840 0.092 0.000 0.745 188 L CB -1.548 40.559 42.059 0.081 0.000 0.892 188 L HN 0.047 nan 8.230 nan 0.000 0.431 189 V N -3.898 115.897 119.914 -0.198 0.000 3.078 189 V HA -0.211 3.909 4.120 -0.000 0.000 0.265 189 V C 1.588 177.428 176.094 -0.423 0.000 1.122 189 V CA 1.544 63.665 62.300 -0.298 0.000 1.141 189 V CB -1.037 30.584 31.823 -0.338 0.000 0.735 189 V HN 0.476 nan 8.190 nan 0.000 0.498 190 H N 0.188 119.095 119.070 -0.272 0.000 2.740 190 H HA 0.357 4.912 4.556 -0.000 0.000 0.265 190 H C 1.096 176.177 175.328 -0.412 0.000 0.978 190 H CA 0.781 56.655 56.048 -0.289 0.000 1.198 190 H CB 0.295 29.904 29.762 -0.256 0.000 1.467 190 H HN 0.515 nan 8.280 nan 0.000 0.511 191 N N -0.371 118.023 118.700 -0.511 0.000 2.241 191 N HA 0.154 4.894 4.740 -0.000 0.000 0.238 191 N C -1.188 174.073 175.510 -0.416 0.000 1.244 191 N CA 0.086 52.737 53.050 -0.664 0.000 0.880 191 N CB 2.216 39.747 38.487 -1.594 0.000 1.179 191 N HN -0.102 nan 8.380 nan 0.000 0.513 192 V N 1.769 121.530 119.914 -0.255 0.000 2.320 192 V HA 0.278 4.398 4.120 -0.000 0.000 0.268 192 V C -1.826 174.203 176.094 -0.109 0.000 1.021 192 V CA -1.213 61.012 62.300 -0.124 0.000 0.813 192 V CB 1.552 33.337 31.823 -0.063 0.000 1.054 192 V HN -0.034 nan 8.190 nan 0.000 0.444 193 P HA -0.104 nan 4.420 nan 0.000 0.219 193 P C 1.142 178.403 177.300 -0.064 0.000 1.146 193 P CA 1.010 64.062 63.100 -0.079 0.000 0.808 193 P CB 0.451 32.114 31.700 -0.061 0.000 0.779 194 E N -0.397 119.773 120.200 -0.050 0.000 2.418 194 E HA -0.032 4.317 4.350 -0.000 0.000 0.197 194 E C 0.956 177.522 176.600 -0.056 0.000 1.026 194 E CA 0.323 56.698 56.400 -0.041 0.000 0.862 194 E CB -0.452 29.235 29.700 -0.020 0.000 0.799 194 E HN 0.335 nan 8.360 nan 0.000 0.518 195 S N 0.870 116.527 115.700 -0.071 0.000 2.693 195 S HA 0.167 4.637 4.470 -0.000 0.000 0.276 195 S C 0.732 175.270 174.600 -0.103 0.000 1.192 195 S CA -0.646 57.501 58.200 -0.089 0.000 0.994 195 S CB 0.911 64.055 63.200 -0.093 0.000 1.012 195 S HN 0.165 nan 8.310 nan 0.000 0.550 196 N N -0.328 118.303 118.700 -0.115 0.000 2.268 196 N HA 0.217 4.957 4.740 -0.000 0.000 0.204 196 N C 1.111 176.548 175.510 -0.122 0.000 1.124 196 N CA 0.270 53.252 53.050 -0.113 0.000 0.838 196 N CB -0.360 38.059 38.487 -0.114 0.000 0.994 196 N HN 1.340 nan 8.380 nan 0.000 0.489 197 G N 0.423 109.142 108.800 -0.136 0.000 2.155 197 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 197 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 197 G C -0.456 174.363 174.900 -0.135 0.000 0.983 197 G CA 0.016 45.023 45.100 -0.154 0.000 0.676 197 G HN 0.439 nan 8.290 nan 0.000 0.528 198 R N -0.221 120.205 120.500 -0.123 0.000 2.445 198 R HA 0.652 4.992 4.340 -0.000 0.000 0.308 198 R C -0.558 175.675 176.300 -0.112 0.000 0.961 198 R CA -0.649 55.384 56.100 -0.112 0.000 0.862 198 R CB 2.256 32.492 30.300 -0.107 0.000 1.144 198 R HN 0.150 nan 8.270 nan 0.000 0.447 199 V N 1.063 120.910 119.914 -0.112 0.000 2.628 199 V HA 0.684 4.804 4.120 -0.000 0.000 0.306 199 V C 0.394 176.415 176.094 -0.121 0.000 1.045 199 V CA -0.863 61.376 62.300 -0.102 0.000 0.905 199 V CB 2.208 33.963 31.823 -0.113 0.000 0.997 199 V HN 0.929 nan 8.190 nan 0.000 0.436 200 G N 3.444 112.193 108.800 -0.086 0.000 2.513 200 G HA2 0.720 4.680 3.960 -0.000 0.000 0.317 200 G HA3 0.720 4.680 3.960 -0.000 0.000 0.317 200 G C -1.035 173.891 174.900 0.044 0.000 1.277 200 G CA -0.670 44.349 45.100 -0.135 0.000 0.955 200 G HN 0.519 nan 8.290 nan 0.000 0.484 201 M N 1.322 120.969 119.600 0.078 0.000 2.436 201 M HA 0.597 5.077 4.480 -0.000 0.000 0.331 201 M C -0.116 176.303 176.300 0.198 0.000 1.135 201 M CA -0.532 54.822 55.300 0.090 0.000 0.987 201 M CB 2.668 35.285 32.600 0.029 0.000 1.687 201 M HN 0.593 nan 8.290 nan 0.000 0.445 202 T N 1.043 115.661 114.554 0.107 0.000 2.762 202 T HA 0.897 5.247 4.350 -0.000 0.000 0.301 202 T C -1.286 173.455 174.700 0.068 0.000 1.299 202 T CA 0.009 62.175 62.100 0.110 0.000 1.005 202 T CB 2.111 71.076 68.868 0.161 0.000 1.377 202 T HN 1.021 nan 8.240 nan 0.000 0.504 203 G N 0.787 109.639 108.800 0.086 0.000 2.352 203 G HA2 0.422 4.382 3.960 -0.000 0.000 0.303 203 G HA3 0.422 4.382 3.960 -0.000 0.000 0.303 203 G C -1.294 173.690 174.900 0.139 0.000 1.593 203 G CA 0.047 45.224 45.100 0.129 0.000 0.963 203 G HN 0.795 nan 8.290 nan 0.000 0.685 204 S N -0.200 115.602 115.700 0.169 0.000 2.537 204 S HA 0.854 5.324 4.470 -0.000 0.000 0.301 204 S C 0.952 175.713 174.600 0.268 0.000 1.092 204 S CA 1.303 59.590 58.200 0.145 0.000 1.048 204 S CB 1.448 64.666 63.200 0.030 0.000 1.053 204 S HN 2.472 nan 8.310 nan 0.000 0.501 205 S N 2.267 118.147 115.700 0.300 0.000 4.140 205 S HA -0.322 4.148 4.470 -0.000 0.000 0.618 205 S C 0.873 175.745 174.600 0.453 0.000 1.896 205 S CA 1.520 59.994 58.200 0.457 0.000 4.240 205 S CB -1.930 61.629 63.200 0.598 0.000 0.208 205 S HN 0.990 nan 8.310 nan 0.000 0.487 206 Y N 2.278 122.828 120.300 0.416 0.000 2.293 206 Y HA 0.037 4.587 4.550 -0.000 0.000 0.291 206 Y C 2.452 178.588 175.900 0.395 0.000 1.137 206 Y CA 2.042 60.364 58.100 0.371 0.000 1.202 206 Y CB -0.153 38.481 38.460 0.291 0.000 0.990 206 Y HN 0.602 nan 8.280 nan 0.000 0.537 207 E N -0.873 119.673 120.200 0.576 0.000 2.268 207 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 207 E C 2.217 179.012 176.600 0.324 0.000 0.995 207 E CA 0.731 57.383 56.400 0.421 0.000 0.836 207 E CB -0.210 29.711 29.700 0.368 0.000 0.763 207 E HN 0.618 nan 8.360 nan 0.000 0.491 208 G N 0.740 109.735 108.800 0.325 0.000 2.426 208 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 208 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 208 G C 1.300 176.362 174.900 0.270 0.000 1.156 208 G CA -0.026 45.222 45.100 0.247 0.000 0.802 208 G HN 0.269 nan 8.290 nan 0.000 0.534 209 F N 3.129 123.180 119.950 0.167 0.000 2.161 209 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 209 F C 2.830 178.713 175.800 0.139 0.000 1.089 209 F CA 2.307 60.376 58.000 0.115 0.000 1.282 209 F CB -0.431 38.541 39.000 -0.046 0.000 1.010 209 F HN 0.190 nan 8.300 nan 0.000 0.485 210 T N -2.412 112.239 114.554 0.162 0.000 2.995 210 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 210 T C 1.911 176.616 174.700 0.009 0.000 1.091 210 T CA 1.234 63.368 62.100 0.056 0.000 1.128 210 T CB -1.051 67.968 68.868 0.252 0.000 0.891 210 T HN 0.174 nan 8.240 nan 0.000 0.492 211 V N 1.206 121.146 119.914 0.043 0.000 2.346 211 V HA -0.077 4.043 4.120 -0.000 0.000 0.244 211 V C 2.906 178.995 176.094 -0.008 0.000 1.037 211 V CA 1.085 63.395 62.300 0.017 0.000 1.029 211 V CB -0.648 31.180 31.823 0.009 0.000 0.663 211 V HN 0.360 nan 8.190 nan 0.000 0.454 212 V N -0.267 119.652 119.914 0.008 0.000 2.332 212 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 212 V C 2.564 178.658 176.094 -0.000 0.000 1.055 212 V CA 1.951 64.294 62.300 0.073 0.000 1.038 212 V CB -0.649 31.286 31.823 0.186 0.000 0.651 212 V HN 0.415 nan 8.190 nan 0.000 0.450 213 M N -0.322 119.185 119.600 -0.154 0.000 2.213 213 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 213 M C 2.337 178.625 176.300 -0.020 0.000 1.062 213 M CA 2.071 57.278 55.300 -0.154 0.000 1.105 213 M CB -1.356 31.043 32.600 -0.336 0.000 1.385 213 M HN 0.441 nan 8.290 nan 0.000 0.417 214 A N 0.121 122.945 122.820 0.006 0.000 1.929 214 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 214 A C 2.170 179.802 177.584 0.080 0.000 1.176 214 A CA 0.908 52.983 52.037 0.063 0.000 0.628 214 A CB -0.797 18.234 19.000 0.052 0.000 0.816 214 A HN 0.472 nan 8.150 nan 0.000 0.444 215 L N -0.111 121.151 121.223 0.064 0.000 2.450 215 L HA -0.108 4.232 4.340 -0.000 0.000 0.224 215 L C 2.057 178.988 176.870 0.103 0.000 1.149 215 L CA 0.292 55.183 54.840 0.084 0.000 0.816 215 L CB -0.441 41.678 42.059 0.100 0.000 0.932 215 L HN 0.393 nan 8.230 nan 0.000 0.449 216 L N -0.770 120.510 121.223 0.094 0.000 2.156 216 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 216 L C 0.418 177.345 176.870 0.093 0.000 1.095 216 L CA 0.848 55.742 54.840 0.092 0.000 0.770 216 L CB -0.081 42.024 42.059 0.077 0.000 0.914 216 L HN 0.216 nan 8.230 nan 0.000 0.439 217 D N -0.508 119.962 120.400 0.116 0.000 2.752 217 D HA 0.164 4.804 4.640 -0.000 0.000 0.242 217 D C -2.592 173.857 176.300 0.248 0.000 1.295 217 D CA -1.350 52.734 54.000 0.141 0.000 0.846 217 D CB 1.036 41.892 40.800 0.094 0.000 1.454 217 D HN -0.142 nan 8.370 nan 0.000 0.535 218 P HA 0.118 nan 4.420 nan 0.000 0.275 218 P C -0.043 177.382 177.300 0.208 0.000 1.228 218 P CA -0.260 62.955 63.100 0.191 0.000 0.786 218 P CB 0.671 32.425 31.700 0.090 0.000 0.927 219 H N 4.744 123.771 119.070 -0.071 0.000 2.732 219 H HA 0.055 4.611 4.556 -0.000 0.000 0.351 219 H C -1.214 174.008 175.328 -0.176 0.000 1.090 219 H CA -1.187 54.620 56.048 -0.401 0.000 1.431 219 H CB 0.846 30.141 29.762 -0.777 0.000 1.447 219 H HN 0.249 nan 8.280 nan 0.000 0.582 220 P HA -0.125 nan 4.420 nan 0.000 0.221 220 P C 0.879 178.173 177.300 -0.011 0.000 1.145 220 P CA 1.391 64.413 63.100 -0.129 0.000 0.795 220 P CB 0.030 31.619 31.700 -0.184 0.000 0.775 221 A N -0.591 122.341 122.820 0.186 0.000 2.119 221 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 221 A C 1.223 178.792 177.584 -0.026 0.000 1.152 221 A CA 0.111 52.189 52.037 0.068 0.000 0.708 221 A CB -1.028 17.985 19.000 0.023 0.000 0.805 221 A HN 0.193 nan 8.150 nan 0.000 0.460 222 L N 0.769 121.982 121.223 -0.017 0.000 2.454 222 L HA 0.211 4.551 4.340 -0.000 0.000 0.284 222 L C 0.667 177.473 176.870 -0.106 0.000 1.139 222 L CA 0.148 54.945 54.840 -0.072 0.000 0.911 222 L CB 0.127 42.160 42.059 -0.044 0.000 1.262 222 L HN 0.009 nan 8.230 nan 0.000 0.453 223 K N 3.594 123.904 120.400 -0.150 0.000 2.379 223 K HA 0.294 4.614 4.320 -0.000 0.000 0.194 223 K C -0.180 176.213 176.600 -0.344 0.000 1.031 223 K CA 0.298 56.469 56.287 -0.195 0.000 1.037 223 K CB 0.425 32.845 32.500 -0.134 0.000 0.824 223 K HN 0.401 nan 8.250 nan 0.000 0.516 224 V N -0.606 119.082 119.914 -0.377 0.000 3.108 224 V HA 0.641 4.761 4.120 -0.000 0.000 0.287 224 V C -2.076 173.797 176.094 -0.370 0.000 1.436 224 V CA -0.781 61.218 62.300 -0.502 0.000 1.001 224 V CB 2.151 33.496 31.823 -0.797 0.000 1.141 224 V HN 0.135 nan 8.190 nan 0.000 0.443 225 A N 3.992 126.741 122.820 -0.120 0.000 2.475 225 A HA 1.038 5.358 4.320 -0.000 0.000 0.301 225 A C -0.460 177.247 177.584 0.205 0.000 1.059 225 A CA -0.148 51.922 52.037 0.054 0.000 0.710 225 A CB 2.118 21.079 19.000 -0.066 0.000 1.288 225 A HN 2.314 nan 8.150 nan 0.000 0.408 226 A N 2.462 125.400 122.820 0.196 0.000 2.984 226 A HA 0.694 5.013 4.320 -0.000 0.000 0.320 226 A C -3.120 174.379 177.584 -0.141 0.000 1.142 226 A CA -1.253 50.773 52.037 -0.017 0.000 0.772 226 A CB 0.386 19.328 19.000 -0.098 0.000 1.195 226 A HN 0.416 nan 8.150 nan 0.000 0.459 227 P HA 0.306 nan 4.420 nan 0.000 0.276 227 P C -0.434 176.842 177.300 -0.040 0.000 1.243 227 P CA 0.499 63.505 63.100 -0.157 0.000 0.768 227 P CB 0.718 32.222 31.700 -0.327 0.000 0.856 228 E N 1.412 121.629 120.200 0.030 0.000 2.171 228 E HA 0.269 4.619 4.350 -0.000 0.000 0.271 228 E C -0.065 176.609 176.600 0.123 0.000 0.916 228 E CA -0.765 55.657 56.400 0.037 0.000 0.774 228 E CB 0.735 30.424 29.700 -0.019 0.000 1.128 228 E HN 0.232 nan 8.360 nan 0.000 0.403 229 S N 2.551 118.343 115.700 0.153 0.000 3.268 229 S HA -0.142 4.328 4.470 -0.000 0.000 0.347 229 S C -2.179 172.607 174.600 0.311 0.000 0.925 229 S CA 0.199 58.543 58.200 0.240 0.000 1.286 229 S CB -1.506 61.823 63.200 0.216 0.000 0.890 229 S HN 0.435 nan 8.310 nan 0.000 0.495 230 P HA 0.273 nan 4.420 nan 0.000 0.279 230 P C -0.156 177.325 177.300 0.302 0.000 1.252 230 P CA -0.698 62.600 63.100 0.330 0.000 0.811 230 P CB 0.577 32.503 31.700 0.376 0.000 1.035 231 M N 2.362 122.126 119.600 0.273 0.000 2.193 231 M HA 0.094 4.574 4.480 -0.000 0.000 0.342 231 M C 0.789 177.264 176.300 0.293 0.000 1.413 231 M CA -0.144 55.252 55.300 0.159 0.000 1.191 231 M CB 0.420 32.992 32.600 -0.046 0.000 1.633 231 M HN 0.117 nan 8.290 nan 0.000 0.458 232 V N 0.369 120.443 119.914 0.268 0.000 2.911 232 V HA 0.138 4.257 4.120 -0.000 0.000 0.237 232 V C 0.173 176.430 176.094 0.271 0.000 1.156 232 V CA 0.847 63.336 62.300 0.315 0.000 1.180 232 V CB 0.490 32.515 31.823 0.336 0.000 0.932 232 V HN 0.738 nan 8.190 nan 0.000 0.483 233 D N -0.108 120.402 120.400 0.184 0.000 2.358 233 D HA 0.326 4.966 4.640 -0.000 0.000 0.253 233 D C 0.923 177.187 176.300 -0.059 0.000 1.288 233 D CA 0.347 54.397 54.000 0.084 0.000 0.950 233 D CB 1.560 42.322 40.800 -0.064 0.000 1.197 233 D HN 0.161 nan 8.370 nan 0.000 0.550 234 G N 1.766 110.620 108.800 0.091 0.000 2.509 234 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 234 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 234 G C 1.061 175.945 174.900 -0.027 0.000 1.124 234 G CA 0.146 45.225 45.100 -0.035 0.000 0.776 234 G HN 0.532 nan 8.290 nan 0.000 0.547 235 W N -0.041 121.081 121.300 -0.296 0.000 2.630 235 W HA 0.255 4.915 4.660 -0.000 0.000 0.275 235 W C 2.393 178.507 176.519 -0.675 0.000 1.192 235 W CA 0.267 57.324 57.345 -0.480 0.000 1.410 235 W CB 0.254 29.336 29.460 -0.631 0.000 1.075 235 W HN -0.030 nan 8.180 nan 0.000 0.581 236 M N -0.510 118.693 119.600 -0.662 0.000 2.123 236 M HA 0.159 4.639 4.480 -0.000 0.000 0.263 236 M C 1.473 176.826 176.300 -1.579 0.000 1.069 236 M CA 1.880 56.347 55.300 -1.389 0.000 1.133 236 M CB -1.284 30.067 32.600 -2.081 0.000 1.356 236 M HN 0.236 nan 8.290 nan 0.000 0.415 237 G N -1.006 107.063 108.800 -1.218 0.000 5.310 237 G HA2 0.101 4.061 3.960 -0.000 0.000 0.203 237 G HA3 0.101 4.061 3.960 -0.000 0.000 0.203 237 G C -0.219 174.423 174.900 -0.431 0.000 0.800 237 G CA -0.389 44.150 45.100 -0.935 0.000 0.754 237 G HN 0.187 nan 8.290 nan 0.000 0.308 238 D N 0.042 120.281 120.400 -0.268 0.000 3.213 238 D HA 0.163 4.803 4.640 -0.000 0.000 0.229 238 D C 0.972 177.163 176.300 -0.182 0.000 1.179 238 D CA -0.162 53.761 54.000 -0.129 0.000 1.218 238 D CB 0.626 41.349 40.800 -0.128 0.000 0.950 238 D HN -0.086 nan 8.370 nan 0.000 0.232 239 D N -0.582 119.511 120.400 -0.512 0.000 2.162 239 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 239 D C 2.200 178.167 176.300 -0.555 0.000 0.964 239 D CA 0.637 54.203 54.000 -0.724 0.000 0.847 239 D CB 0.196 40.211 40.800 -1.308 0.000 0.988 239 D HN 0.372 nan 8.370 nan 0.000 0.480 240 W N -0.061 121.168 121.300 -0.118 0.000 2.481 240 W HA 0.100 4.760 4.660 -0.000 0.000 0.293 240 W C 0.554 176.725 176.519 -0.580 0.000 1.201 240 W CA -0.418 56.770 57.345 -0.261 0.000 1.328 240 W CB 0.075 29.554 29.460 0.031 0.000 1.112 240 W HN -0.216 nan 8.180 nan 0.000 0.546 241 F N -1.729 118.188 119.950 -0.054 0.000 2.643 241 F HA 0.402 4.929 4.527 -0.000 0.000 0.314 241 F C -0.371 175.308 175.800 -0.202 0.000 1.096 241 F CA -1.402 56.466 58.000 -0.221 0.000 0.953 241 F CB 1.181 39.734 39.000 -0.744 0.000 1.345 241 F HN -0.303 nan 8.300 nan 0.000 0.468 242 H N 1.346 120.314 119.070 -0.171 0.000 2.887 242 H HA 0.223 4.779 4.556 -0.000 0.000 0.300 242 H C -1.162 173.901 175.328 -0.441 0.000 1.038 242 H CA -0.848 55.025 56.048 -0.292 0.000 1.352 242 H CB 0.686 30.453 29.762 0.010 0.000 1.473 242 H HN 0.662 nan 8.280 nan 0.000 0.503 243 Y N 1.688 121.575 120.300 -0.689 0.000 3.168 243 Y HA -0.300 4.250 4.550 -0.000 0.000 0.207 243 Y C 1.565 176.859 175.900 -1.010 0.000 1.280 243 Y CA 1.357 58.950 58.100 -0.844 0.000 1.235 243 Y CB -1.795 36.329 38.460 -0.561 0.000 1.370 243 Y HN 1.131 nan 8.280 nan 0.000 0.537 244 G N -1.937 105.883 108.800 -1.633 0.000 2.205 244 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.261 244 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.261 244 G C 0.382 175.175 174.900 -0.179 0.000 0.980 244 G CA -0.027 44.332 45.100 -1.234 0.000 0.632 244 G HN 1.624 nan 8.290 nan 0.000 0.533 245 A N 0.298 123.077 122.820 -0.068 0.000 2.302 245 A HA 0.654 4.974 4.320 -0.000 0.000 0.295 245 A C -0.094 177.704 177.584 0.358 0.000 1.235 245 A CA -0.395 51.730 52.037 0.147 0.000 0.876 245 A CB 0.220 19.182 19.000 -0.063 0.000 1.133 245 A HN 1.232 nan 8.150 nan 0.000 0.533 246 F N 2.960 123.030 119.950 0.199 0.000 2.495 246 F HA 0.359 4.885 4.527 -0.000 0.000 0.365 246 F C 0.752 176.464 175.800 -0.146 0.000 1.090 246 F CA -0.037 57.906 58.000 -0.095 0.000 1.235 246 F CB 0.636 39.617 39.000 -0.032 0.000 1.119 246 F HN 0.563 nan 8.300 nan 0.000 0.562 247 R N 5.889 125.657 120.500 -1.220 0.000 2.198 247 R HA 0.145 4.485 4.340 -0.000 0.000 0.339 247 R C 0.874 176.111 176.300 -1.771 0.000 1.020 247 R CA -0.320 54.998 56.100 -1.304 0.000 0.864 247 R CB 0.890 30.598 30.300 -0.987 0.000 1.105 247 R HN 0.779 nan 8.270 nan 0.000 0.463 248 Q N 1.291 120.216 119.800 -1.458 0.000 2.437 248 Q HA -0.067 4.273 4.340 -0.000 0.000 0.210 248 Q C 1.728 176.801 176.000 -1.546 0.000 0.972 248 Q CA 1.059 56.033 55.803 -1.381 0.000 0.903 248 Q CB 0.278 28.336 28.738 -1.133 0.000 0.967 248 Q HN 0.863 nan 8.270 nan 0.000 0.486 249 G N 0.801 108.484 108.800 -1.862 0.000 2.559 249 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.216 249 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.216 249 G C 1.423 175.686 174.900 -1.063 0.000 1.126 249 G CA 0.616 44.569 45.100 -1.913 0.000 0.778 249 G HN 0.385 nan 8.290 nan 0.000 0.543 250 A N 0.688 122.893 122.820 -1.024 0.000 1.972 250 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 250 A C 2.000 178.933 177.584 -1.086 0.000 1.169 250 A CA 1.093 52.611 52.037 -0.864 0.000 0.635 250 A CB -0.460 18.107 19.000 -0.721 0.000 0.810 250 A HN 0.258 nan 8.150 nan 0.000 0.446 251 F N 0.851 120.409 119.950 -0.652 0.000 2.095 251 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 251 F C 2.133 177.768 175.800 -0.276 0.000 1.104 251 F CA 1.351 59.106 58.000 -0.408 0.000 1.232 251 F CB -0.868 38.076 39.000 -0.093 0.000 0.987 251 F HN 0.228 nan 8.300 nan 0.000 0.475 252 D N -1.312 119.057 120.400 -0.051 0.000 2.144 252 D HA -0.235 4.405 4.640 -0.000 0.000 0.199 252 D C 2.118 178.414 176.300 -0.008 0.000 0.984 252 D CA 1.154 55.140 54.000 -0.024 0.000 0.834 252 D CB -0.640 40.126 40.800 -0.057 0.000 0.955 252 D HN 0.359 nan 8.370 nan 0.000 0.465 253 Y N 0.405 120.596 120.300 -0.181 0.000 2.200 253 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 253 Y C 2.133 178.117 175.900 0.139 0.000 1.137 253 Y CA 1.403 59.486 58.100 -0.029 0.000 1.163 253 Y CB -0.426 38.019 38.460 -0.025 0.000 0.988 253 Y HN -0.097 nan 8.280 nan 0.000 0.518 254 F N -1.322 118.724 119.950 0.159 0.000 2.075 254 F HA -0.279 4.248 4.527 -0.000 0.000 0.297 254 F C 2.313 178.083 175.800 -0.050 0.000 1.113 254 F CA 1.028 59.069 58.000 0.069 0.000 1.218 254 F CB -0.736 38.304 39.000 0.067 0.000 0.984 254 F HN -0.164 nan 8.300 nan 0.000 0.472 255 V N -0.834 119.111 119.914 0.052 0.000 2.490 255 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 255 V C 2.368 178.499 176.094 0.062 0.000 1.061 255 V CA 2.018 64.308 62.300 -0.016 0.000 1.064 255 V CB -0.627 31.149 31.823 -0.078 0.000 0.670 255 V HN 0.372 nan 8.190 nan 0.000 0.461 256 S N -1.141 114.564 115.700 0.008 0.000 2.406 256 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 256 S C 1.940 176.505 174.600 -0.058 0.000 1.020 256 S CA 1.086 59.273 58.200 -0.022 0.000 0.965 256 S CB -0.045 63.131 63.200 -0.039 0.000 0.798 256 S HN 0.583 nan 8.310 nan 0.000 0.488 257 Q N -0.333 119.397 119.800 -0.117 0.000 2.373 257 Q HA 0.319 4.659 4.340 -0.000 0.000 0.210 257 Q C 1.058 177.030 176.000 -0.045 0.000 0.913 257 Q CA 0.550 56.257 55.803 -0.160 0.000 0.911 257 Q CB 0.167 28.691 28.738 -0.358 0.000 1.040 257 Q HN 0.571 nan 8.270 nan 0.000 0.521 258 M N -0.460 119.223 119.600 0.139 0.000 2.496 258 M HA 0.142 4.622 4.480 -0.000 0.000 0.330 258 M C 0.867 177.326 176.300 0.266 0.000 1.133 258 M CA 0.071 55.522 55.300 0.250 0.000 0.964 258 M CB 0.802 33.642 32.600 0.400 0.000 1.401 258 M HN -0.139 nan 8.290 nan 0.000 0.520 259 T N 0.800 115.482 114.554 0.213 0.000 2.978 259 T HA 0.284 4.633 4.350 -0.000 0.000 0.262 259 T C 0.713 175.413 174.700 -0.001 0.000 1.063 259 T CA 0.856 63.047 62.100 0.152 0.000 1.140 259 T CB 0.225 69.193 68.868 0.166 0.000 0.886 259 T HN 0.483 nan 8.240 nan 0.000 0.470 260 A N -0.119 122.672 122.820 -0.048 0.000 2.588 260 A HA 0.685 5.005 4.320 -0.000 0.000 0.290 260 A C 0.803 178.273 177.584 -0.189 0.000 1.136 260 A CA -0.667 51.307 52.037 -0.105 0.000 0.681 260 A CB 0.761 19.696 19.000 -0.108 0.000 1.282 260 A HN 0.028 nan 8.150 nan 0.000 0.421 261 R N -0.222 120.157 120.500 -0.200 0.000 2.073 261 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 261 R C 1.267 177.241 176.300 -0.543 0.000 1.134 261 R CA 2.227 58.163 56.100 -0.274 0.000 0.952 261 R CB -0.438 29.753 30.300 -0.182 0.000 0.850 261 R HN 0.875 nan 8.270 nan 0.000 0.433 262 G N -0.905 107.558 108.800 -0.561 0.000 2.829 262 G HA2 0.351 4.311 3.960 -0.000 0.000 0.173 262 G HA3 0.351 4.311 3.960 -0.000 0.000 0.173 262 G C -0.325 174.106 174.900 -0.780 0.000 1.476 262 G CA -0.178 44.330 45.100 -0.988 0.000 1.072 262 G HN 0.424 nan 8.290 nan 0.000 0.577 263 G N -1.350 107.261 108.800 -0.314 0.000 2.544 263 G HA2 0.511 4.470 3.960 -0.000 0.000 0.242 263 G HA3 0.511 4.470 3.960 -0.000 0.000 0.242 263 G C 0.126 174.987 174.900 -0.064 0.000 1.247 263 G CA 0.582 45.657 45.100 -0.042 0.000 0.840 263 G HN 0.899 nan 8.290 nan 0.000 0.578 264 G N -0.185 108.604 108.800 -0.018 0.000 3.105 264 G HA2 0.592 4.552 3.960 -0.000 0.000 0.277 264 G HA3 0.592 4.552 3.960 -0.000 0.000 0.277 264 G C -0.891 174.017 174.900 0.013 0.000 1.375 264 G CA -0.784 44.313 45.100 -0.004 0.000 0.962 264 G HN 0.596 nan 8.290 nan 0.000 0.541 265 N N -0.582 118.128 118.700 0.018 0.000 2.453 265 N HA 0.408 5.148 4.740 -0.000 0.000 0.290 265 N C -1.196 174.321 175.510 0.012 0.000 1.250 265 N CA -0.503 52.555 53.050 0.013 0.000 0.815 265 N CB 2.181 40.673 38.487 0.009 0.000 1.381 265 N HN 0.360 nan 8.380 nan 0.000 0.510 266 D N 0.304 120.709 120.400 0.008 0.000 2.411 266 D HA 0.345 4.984 4.640 -0.000 0.000 0.251 266 D C 0.182 176.483 176.300 0.001 0.000 1.201 266 D CA -0.043 53.962 54.000 0.008 0.000 0.996 266 D CB 0.956 41.761 40.800 0.010 0.000 1.101 266 D HN 0.303 nan 8.370 nan 0.000 0.504 267 I N 2.161 122.736 120.570 0.009 0.000 2.396 267 I HA 0.147 4.317 4.170 -0.000 0.000 0.289 267 I C -1.893 174.211 176.117 -0.022 0.000 1.056 267 I CA -1.648 59.641 61.300 -0.018 0.000 1.365 267 I CB 0.729 38.730 38.000 0.003 0.000 1.407 267 I HN 0.046 nan 8.210 nan 0.000 0.509 268 P HA 0.126 nan 4.420 nan 0.000 0.265 268 P C -0.704 176.560 177.300 -0.060 0.000 1.193 268 P CA -0.121 62.949 63.100 -0.049 0.000 0.765 268 P CB 0.452 32.116 31.700 -0.060 0.000 0.823 269 R N 2.410 122.890 120.500 -0.032 0.000 2.668 269 R HA 0.341 4.681 4.340 -0.000 0.000 0.279 269 R C 1.086 177.369 176.300 -0.029 0.000 0.976 269 R CA -0.882 55.205 56.100 -0.022 0.000 0.978 269 R CB 1.430 31.737 30.300 0.012 0.000 1.133 269 R HN 0.350 nan 8.270 nan 0.000 0.484 270 R N 0.475 120.958 120.500 -0.029 0.000 2.057 270 R HA 0.070 4.410 4.340 -0.000 0.000 0.224 270 R C 0.070 176.367 176.300 -0.005 0.000 1.136 270 R CA 1.483 57.569 56.100 -0.024 0.000 0.968 270 R CB 0.071 30.355 30.300 -0.028 0.000 0.863 270 R HN 0.601 nan 8.270 nan 0.000 0.433 271 D N -1.571 118.836 120.400 0.012 0.000 2.299 271 D HA 0.303 4.943 4.640 -0.000 0.000 0.243 271 D C 0.056 176.365 176.300 0.016 0.000 0.982 271 D CA 0.213 54.225 54.000 0.021 0.000 0.924 271 D CB 2.211 43.039 40.800 0.045 0.000 1.238 271 D HN 0.223 nan 8.370 nan 0.000 0.484 272 A N 2.038 124.862 122.820 0.008 0.000 2.015 272 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 272 A C 0.833 178.406 177.584 -0.019 0.000 1.163 272 A CA 0.979 53.009 52.037 -0.011 0.000 0.646 272 A CB 0.016 19.009 19.000 -0.013 0.000 0.806 272 A HN 0.498 nan 8.150 nan 0.000 0.448 273 D N -0.500 119.912 120.400 0.021 0.000 2.274 273 D HA 0.286 4.926 4.640 -0.000 0.000 0.239 273 D C -0.208 176.148 176.300 0.093 0.000 1.104 273 D CA -0.466 53.561 54.000 0.045 0.000 0.840 273 D CB 0.926 41.782 40.800 0.094 0.000 1.100 273 D HN 0.008 nan 8.370 nan 0.000 0.477 274 D N 2.351 122.778 120.400 0.045 0.000 2.312 274 D HA -0.152 4.488 4.640 -0.000 0.000 0.211 274 D C 1.326 177.781 176.300 0.258 0.000 0.964 274 D CA 0.549 54.635 54.000 0.142 0.000 0.877 274 D CB -0.075 40.712 40.800 -0.022 0.000 0.924 274 D HN 0.565 nan 8.370 nan 0.000 0.515 275 Y N 1.474 121.853 120.300 0.132 0.000 2.114 275 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 275 Y C 2.284 178.398 175.900 0.357 0.000 1.143 275 Y CA 1.955 60.217 58.100 0.270 0.000 1.135 275 Y CB -0.378 38.228 38.460 0.243 0.000 0.980 275 Y HN -0.105 nan 8.280 nan 0.000 0.499 276 T N 0.869 115.672 114.554 0.415 0.000 2.674 276 T HA -0.184 4.165 4.350 -0.000 0.000 0.265 276 T C 1.640 176.461 174.700 0.201 0.000 1.039 276 T CA 1.470 63.734 62.100 0.273 0.000 1.150 276 T CB -0.394 68.597 68.868 0.205 0.000 0.864 276 T HN 0.384 nan 8.240 nan 0.000 0.427 277 N N 0.948 119.760 118.700 0.187 0.000 2.043 277 N HA -0.062 4.678 4.740 -0.000 0.000 0.193 277 N C 1.638 177.216 175.510 0.114 0.000 1.037 277 N CA 1.334 54.456 53.050 0.119 0.000 0.851 277 N CB -0.616 37.924 38.487 0.088 0.000 1.027 277 N HN 0.361 nan 8.380 nan 0.000 0.422 278 F N 0.609 120.640 119.950 0.135 0.000 2.259 278 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 278 F C 2.164 178.127 175.800 0.272 0.000 1.088 278 F CA 0.187 58.274 58.000 0.145 0.000 1.358 278 F CB -0.316 38.624 39.000 -0.100 0.000 1.040 278 F HN -0.011 nan 8.300 nan 0.000 0.505 279 L N 0.478 121.949 121.223 0.413 0.000 2.109 279 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 279 L C 2.063 178.956 176.870 0.039 0.000 1.086 279 L CA 1.832 56.740 54.840 0.114 0.000 0.760 279 L CB -0.642 41.351 42.059 -0.110 0.000 0.910 279 L HN -0.041 nan 8.230 nan 0.000 0.437 280 K N -0.805 119.641 120.400 0.076 0.000 2.155 280 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 280 K C 1.994 178.620 176.600 0.044 0.000 1.052 280 K CA 0.992 57.302 56.287 0.038 0.000 0.948 280 K CB -0.214 32.309 32.500 0.039 0.000 0.728 280 K HN 0.420 nan 8.250 nan 0.000 0.448 281 A N 0.887 123.764 122.820 0.094 0.000 2.014 281 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 281 A C 1.473 179.128 177.584 0.117 0.000 1.163 281 A CA 1.673 53.773 52.037 0.105 0.000 0.652 281 A CB -0.463 18.656 19.000 0.198 0.000 0.808 281 A HN 0.447 nan 8.150 nan 0.000 0.449 282 G N -0.959 107.905 108.800 0.106 0.000 3.076 282 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.256 282 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.256 282 G C 0.652 175.658 174.900 0.177 0.000 1.589 282 G CA 0.729 45.855 45.100 0.044 0.000 1.044 282 G HN 1.706 nan 8.290 nan 0.000 0.563 283 S N 1.302 117.184 115.700 0.304 0.000 2.669 283 S HA 0.739 5.209 4.470 -0.000 0.000 0.270 283 S C 1.648 176.542 174.600 0.489 0.000 1.225 283 S CA 0.605 59.070 58.200 0.440 0.000 0.991 283 S CB 1.607 65.066 63.200 0.431 0.000 0.987 283 S HN 2.147 nan 8.310 nan 0.000 0.552 284 A N 1.405 124.586 122.820 0.602 0.000 1.933 284 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 284 A C 2.158 180.126 177.584 0.640 0.000 1.175 284 A CA 1.681 54.178 52.037 0.768 0.000 0.628 284 A CB -1.797 17.768 19.000 0.941 0.000 0.814 284 A HN 1.133 nan 8.150 nan 0.000 0.444 285 G N -0.991 108.187 108.800 0.631 0.000 2.422 285 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 285 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 285 G C 1.915 176.981 174.900 0.277 0.000 1.146 285 G CA 1.455 46.878 45.100 0.539 0.000 0.769 285 G HN 0.562 nan 8.290 nan 0.000 0.547 286 S N -0.391 115.464 115.700 0.258 0.000 2.368 286 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 286 S C 2.048 176.676 174.600 0.047 0.000 1.030 286 S CA 1.335 59.620 58.200 0.143 0.000 0.999 286 S CB -0.403 62.896 63.200 0.166 0.000 0.844 286 S HN 0.371 nan 8.310 nan 0.000 0.459 287 F N 2.231 122.137 119.950 -0.074 0.000 2.102 287 F HA -0.001 4.525 4.527 -0.000 0.000 0.298 287 F C 2.324 177.844 175.800 -0.467 0.000 1.105 287 F CA 1.355 59.196 58.000 -0.264 0.000 1.239 287 F CB -0.821 38.026 39.000 -0.254 0.000 0.991 287 F HN 0.278 nan 8.300 nan 0.000 0.474 288 A N -0.315 122.237 122.820 -0.447 0.000 1.883 288 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 288 A C 2.186 179.510 177.584 -0.433 0.000 1.186 288 A CA 2.495 54.057 52.037 -0.791 0.000 0.624 288 A CB -1.512 16.902 19.000 -0.978 0.000 0.822 288 A HN 0.453 nan 8.150 nan 0.000 0.444 289 T N -0.029 114.399 114.554 -0.210 0.000 2.684 289 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 289 T C 2.055 176.639 174.700 -0.193 0.000 1.036 289 T CA 1.838 63.861 62.100 -0.128 0.000 1.148 289 T CB -0.318 68.520 68.868 -0.048 0.000 0.863 289 T HN 0.627 nan 8.240 nan 0.000 0.436 290 Q N 0.332 119.973 119.800 -0.266 0.000 2.170 290 Q HA 0.014 4.354 4.340 -0.000 0.000 0.203 290 Q C 2.408 178.183 176.000 -0.375 0.000 0.976 290 Q CA 1.279 56.898 55.803 -0.307 0.000 0.858 290 Q CB -0.194 28.331 28.738 -0.356 0.000 0.907 290 Q HN 0.541 nan 8.270 nan 0.000 0.433 291 A N -0.437 122.080 122.820 -0.504 0.000 2.208 291 A HA 0.280 4.600 4.320 -0.000 0.000 0.209 291 A C 1.487 178.919 177.584 -0.254 0.000 1.161 291 A CA 0.792 52.558 52.037 -0.452 0.000 0.782 291 A CB -0.122 18.509 19.000 -0.615 0.000 0.816 291 A HN 0.448 nan 8.150 nan 0.000 0.477 292 G N -1.148 107.538 108.800 -0.190 0.000 2.141 292 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.242 292 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.242 292 G C 0.688 175.612 174.900 0.040 0.000 0.982 292 G CA 0.388 45.457 45.100 -0.053 0.000 0.662 292 G HN 0.427 nan 8.290 nan 0.000 0.527 293 L N 0.245 121.403 121.223 -0.108 0.000 2.456 293 L HA 0.069 4.408 4.340 -0.000 0.000 0.224 293 L C 2.050 179.071 176.870 0.252 0.000 1.148 293 L CA 0.951 55.743 54.840 -0.080 0.000 0.825 293 L CB -0.127 41.634 42.059 -0.497 0.000 0.937 293 L HN 0.087 nan 8.230 nan 0.000 0.450 294 D N -0.007 120.514 120.400 0.200 0.000 2.350 294 D HA -0.188 4.452 4.640 -0.000 0.000 0.216 294 D C 2.013 178.412 176.300 0.166 0.000 0.968 294 D CA 0.787 54.915 54.000 0.213 0.000 0.894 294 D CB 0.061 40.904 40.800 0.073 0.000 0.909 294 D HN 0.574 nan 8.370 nan 0.000 0.520 295 Q N -0.574 119.345 119.800 0.198 0.000 2.360 295 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 295 Q C -0.258 175.778 176.000 0.060 0.000 0.915 295 Q CA -0.010 55.845 55.803 0.088 0.000 0.943 295 Q CB -0.097 28.648 28.738 0.012 0.000 1.064 295 Q HN 0.261 nan 8.270 nan 0.000 0.511 296 Y N 1.591 121.939 120.300 0.080 0.000 2.367 296 Y HA 0.243 4.793 4.550 -0.000 0.000 0.342 296 Y C -1.580 174.365 175.900 0.076 0.000 0.979 296 Y CA -2.563 55.592 58.100 0.092 0.000 1.161 296 Y CB 1.448 39.987 38.460 0.133 0.000 1.155 296 Y HN 0.046 nan 8.280 nan 0.000 0.503 297 P HA -0.273 nan 4.420 nan 0.000 0.216 297 P C 1.552 178.885 177.300 0.056 0.000 1.154 297 P CA 1.477 64.614 63.100 0.061 0.000 0.865 297 P CB 0.049 31.777 31.700 0.046 0.000 0.789 298 F N -1.114 118.815 119.950 -0.035 0.000 2.186 298 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 298 F C 2.225 177.923 175.800 -0.170 0.000 1.090 298 F CA 1.179 59.103 58.000 -0.126 0.000 1.307 298 F CB -0.712 38.164 39.000 -0.208 0.000 1.019 298 F HN 0.002 nan 8.300 nan 0.000 0.489 299 W N 1.198 122.322 121.300 -0.294 0.000 2.436 299 W HA -0.180 4.480 4.660 -0.000 0.000 0.284 299 W C 1.894 178.271 176.519 -0.236 0.000 1.225 299 W CA 1.321 58.485 57.345 -0.301 0.000 1.271 299 W CB -0.306 29.097 29.460 -0.094 0.000 1.114 299 W HN 0.159 nan 8.180 nan 0.000 0.559 300 Q N 0.295 119.896 119.800 -0.331 0.000 2.084 300 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 300 Q C 2.370 178.080 176.000 -0.483 0.000 0.978 300 Q CA 1.915 57.460 55.803 -0.430 0.000 0.844 300 Q CB -0.281 28.325 28.738 -0.220 0.000 0.898 300 Q HN 0.286 nan 8.270 nan 0.000 0.426 301 R N 0.161 120.375 120.500 -0.476 0.000 2.066 301 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 301 R C 2.314 178.231 176.300 -0.640 0.000 1.131 301 R CA 1.486 57.230 56.100 -0.594 0.000 0.955 301 R CB -0.389 29.515 30.300 -0.660 0.000 0.851 301 R HN 0.323 nan 8.270 nan 0.000 0.432 302 M N 0.397 119.618 119.600 -0.631 0.000 2.159 302 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 302 M C 2.389 178.522 176.300 -0.279 0.000 1.063 302 M CA 1.705 56.853 55.300 -0.255 0.000 1.110 302 M CB -0.307 32.191 32.600 -0.171 0.000 1.374 302 M HN 0.222 nan 8.290 nan 0.000 0.411 303 H N 0.120 118.605 119.070 -0.976 0.000 2.421 303 H HA -0.071 4.485 4.556 -0.000 0.000 0.298 303 H C 1.618 176.689 175.328 -0.428 0.000 1.087 303 H CA 1.795 57.204 56.048 -1.065 0.000 1.330 303 H CB 0.100 28.963 29.762 -1.498 0.000 1.388 303 H HN 0.544 nan 8.280 nan 0.000 0.526 304 A N 0.418 122.972 122.820 -0.443 0.000 2.067 304 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 304 A C 0.511 177.724 177.584 -0.619 0.000 1.156 304 A CA 0.477 52.197 52.037 -0.528 0.000 0.683 304 A CB -0.089 18.521 19.000 -0.650 0.000 0.808 304 A HN 0.476 nan 8.150 nan 0.000 0.455 305 H N -0.557 118.445 119.070 -0.113 0.000 2.340 305 H HA 0.201 4.756 4.556 -0.000 0.000 0.233 305 H C -2.071 173.511 175.328 0.424 0.000 1.435 305 H CA -1.540 54.554 56.048 0.077 0.000 1.389 305 H CB 0.570 30.268 29.762 -0.106 0.000 1.491 305 H HN 0.362 nan 8.280 nan 0.000 0.518 306 P HA -0.017 nan 4.420 nan 0.000 0.222 306 P C 0.751 178.292 177.300 0.402 0.000 1.153 306 P CA 0.506 63.876 63.100 0.451 0.000 0.798 306 P CB 0.676 32.523 31.700 0.245 0.000 0.796 307 A N -0.540 122.483 122.820 0.339 0.000 2.269 307 A HA 0.287 4.607 4.320 -0.000 0.000 0.319 307 A C -0.581 176.857 177.584 -0.244 0.000 1.110 307 A CA -0.556 51.582 52.037 0.168 0.000 0.847 307 A CB -0.154 19.011 19.000 0.275 0.000 1.161 307 A HN 0.007 nan 8.150 nan 0.000 0.497 308 Y N 2.215 121.869 120.300 -1.077 0.000 2.889 308 Y HA 0.152 4.702 4.550 -0.000 0.000 0.367 308 Y C 0.312 175.986 175.900 -0.378 0.000 1.197 308 Y CA -0.839 56.539 58.100 -1.202 0.000 1.993 308 Y CB -1.039 36.435 38.460 -1.644 0.000 2.112 308 Y HN 0.782 nan 8.280 nan 0.000 0.413 309 D N -0.239 120.035 120.400 -0.210 0.000 2.469 309 D HA 0.252 4.892 4.640 -0.000 0.000 0.278 309 D C 1.583 177.730 176.300 -0.254 0.000 1.231 309 D CA 0.095 54.007 54.000 -0.147 0.000 1.075 309 D CB -0.002 40.803 40.800 0.009 0.000 1.121 309 D HN 0.184 nan 8.370 nan 0.000 0.571 310 A N -0.863 121.848 122.820 -0.181 0.000 1.948 310 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 310 A C 2.017 179.442 177.584 -0.264 0.000 1.177 310 A CA 1.602 53.521 52.037 -0.197 0.000 0.636 310 A CB -1.289 17.636 19.000 -0.124 0.000 0.815 310 A HN 0.546 nan 8.150 nan 0.000 0.449 311 F N -0.917 118.711 119.950 -0.535 0.000 2.095 311 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 311 F C 1.928 177.345 175.800 -0.638 0.000 1.104 311 F CA 1.940 59.491 58.000 -0.748 0.000 1.232 311 F CB -0.454 37.730 39.000 -1.360 0.000 0.987 311 F HN 0.418 nan 8.300 nan 0.000 0.475 312 W N 0.174 121.266 121.300 -0.347 0.000 2.523 312 W HA 0.012 4.672 4.660 -0.000 0.000 0.278 312 W C 2.457 178.685 176.519 -0.485 0.000 1.236 312 W CA 0.515 57.644 57.345 -0.359 0.000 1.306 312 W CB -0.555 28.752 29.460 -0.256 0.000 1.101 312 W HN -0.010 nan 8.180 nan 0.000 0.577 313 Q N -0.064 119.442 119.800 -0.490 0.000 2.170 313 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 313 Q C 2.392 178.289 176.000 -0.171 0.000 0.976 313 Q CA 1.383 56.931 55.803 -0.424 0.000 0.858 313 Q CB -0.695 27.794 28.738 -0.414 0.000 0.907 313 Q HN 0.383 nan 8.270 nan 0.000 0.433 314 G N 0.310 108.992 108.800 -0.197 0.000 2.776 314 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.209 314 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.209 314 G C 0.849 175.696 174.900 -0.088 0.000 1.145 314 G CA 0.137 45.153 45.100 -0.140 0.000 0.791 314 G HN 0.293 nan 8.290 nan 0.000 0.530 315 Q N -0.489 119.280 119.800 -0.051 0.000 2.139 315 Q HA 0.373 4.713 4.340 -0.000 0.000 0.219 315 Q C 0.522 176.636 176.000 0.189 0.000 0.805 315 Q CA -0.389 55.458 55.803 0.073 0.000 1.024 315 Q CB 1.406 30.185 28.738 0.068 0.000 1.163 315 Q HN 0.286 nan 8.270 nan 0.000 0.485 316 A N 1.421 124.339 122.820 0.162 0.000 2.539 316 A HA 0.225 4.545 4.320 -0.000 0.000 0.306 316 A C 0.909 178.609 177.584 0.194 0.000 1.392 316 A CA -0.141 52.025 52.037 0.215 0.000 1.060 316 A CB -0.213 18.925 19.000 0.231 0.000 1.134 316 A HN 0.418 nan 8.150 nan 0.000 0.542 317 L N 1.220 122.576 121.223 0.223 0.000 2.275 317 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 317 L C 2.091 179.070 176.870 0.183 0.000 1.119 317 L CA 1.133 56.094 54.840 0.202 0.000 0.790 317 L CB -0.464 41.736 42.059 0.235 0.000 0.919 317 L HN 0.807 nan 8.230 nan 0.000 0.443 318 D N 0.163 120.679 120.400 0.193 0.000 2.117 318 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 318 D C 1.819 178.189 176.300 0.117 0.000 0.987 318 D CA 1.179 55.264 54.000 0.141 0.000 0.829 318 D CB -0.271 40.633 40.800 0.173 0.000 0.961 318 D HN 0.128 nan 8.370 nan 0.000 0.460 319 K N 0.314 120.798 120.400 0.140 0.000 2.025 319 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 319 K C 2.322 178.977 176.600 0.092 0.000 1.049 319 K CA 0.416 56.771 56.287 0.113 0.000 0.933 319 K CB -0.387 32.187 32.500 0.124 0.000 0.714 319 K HN 0.273 nan 8.250 nan 0.000 0.438 320 I N 1.102 121.731 120.570 0.099 0.000 2.286 320 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 320 I C 2.364 178.535 176.117 0.090 0.000 1.115 320 I CA 0.807 62.159 61.300 0.086 0.000 1.392 320 I CB -0.909 37.144 38.000 0.088 0.000 1.065 320 I HN 0.051 nan 8.210 nan 0.000 0.418 321 L N 1.374 122.661 121.223 0.108 0.000 2.156 321 L HA -0.006 4.333 4.340 -0.000 0.000 0.208 321 L C 2.553 179.479 176.870 0.095 0.000 1.095 321 L CA 1.711 56.623 54.840 0.120 0.000 0.770 321 L CB -0.776 41.386 42.059 0.172 0.000 0.914 321 L HN 0.157 nan 8.230 nan 0.000 0.439 322 A N -1.071 121.791 122.820 0.069 0.000 1.902 322 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 322 A C 2.163 179.775 177.584 0.046 0.000 1.181 322 A CA 1.754 53.817 52.037 0.044 0.000 0.623 322 A CB -0.507 18.510 19.000 0.028 0.000 0.818 322 A HN 0.624 nan 8.150 nan 0.000 0.443 323 Q N -1.112 118.719 119.800 0.052 0.000 2.291 323 Q HA -0.056 4.284 4.340 -0.000 0.000 0.205 323 Q C 1.881 177.910 176.000 0.048 0.000 0.970 323 Q CA 0.771 56.602 55.803 0.046 0.000 0.876 323 Q CB -0.004 28.762 28.738 0.047 0.000 0.935 323 Q HN 0.417 nan 8.270 nan 0.000 0.455 324 R N 0.730 121.266 120.500 0.059 0.000 2.254 324 R HA 0.086 4.426 4.340 -0.000 0.000 0.195 324 R C 0.005 176.343 176.300 0.064 0.000 0.957 324 R CA 0.183 56.320 56.100 0.062 0.000 1.024 324 R CB 0.094 30.439 30.300 0.074 0.000 0.952 324 R HN 0.131 nan 8.270 nan 0.000 0.484 325 K N 1.754 122.193 120.400 0.066 0.000 4.040 325 K HA -0.130 4.190 4.320 -0.000 0.000 0.279 325 K C -2.309 174.334 176.600 0.071 0.000 0.890 325 K CA 0.103 56.428 56.287 0.063 0.000 0.782 325 K CB -0.983 31.544 32.500 0.046 0.000 1.613 325 K HN 0.245 nan 8.250 nan 0.000 0.440 326 P HA -0.017 nan 4.420 nan 0.000 0.271 326 P C 0.514 177.857 177.300 0.073 0.000 1.218 326 P CA 0.028 63.179 63.100 0.086 0.000 0.780 326 P CB 0.888 32.654 31.700 0.111 0.000 0.901 327 T N -2.248 112.334 114.554 0.047 0.000 3.186 327 T HA 0.201 4.551 4.350 -0.000 0.000 0.257 327 T C 0.458 175.152 174.700 -0.009 0.000 1.029 327 T CA -0.307 61.810 62.100 0.029 0.000 0.916 327 T CB -0.453 68.429 68.868 0.023 0.000 1.041 327 T HN 0.085 nan 8.240 nan 0.000 0.562 328 V N 3.658 123.565 119.914 -0.012 0.000 2.432 328 V HA 0.328 4.448 4.120 -0.000 0.000 0.271 328 V C -2.271 173.775 176.094 -0.080 0.000 1.046 328 V CA -2.244 60.008 62.300 -0.081 0.000 0.945 328 V CB 0.959 32.745 31.823 -0.061 0.000 0.992 328 V HN 0.237 nan 8.190 nan 0.000 0.471 329 P HA 0.128 nan 4.420 nan 0.000 0.261 329 P C -0.518 176.850 177.300 0.113 0.000 1.183 329 P CA 0.555 63.594 63.100 -0.101 0.000 0.761 329 P CB 0.272 31.585 31.700 -0.645 0.000 0.785 330 M N 3.256 123.013 119.600 0.262 0.000 2.465 330 M HA 0.462 4.942 4.480 -0.000 0.000 0.316 330 M C -0.787 175.567 176.300 0.090 0.000 1.121 330 M CA -0.871 54.507 55.300 0.131 0.000 0.934 330 M CB 2.061 34.711 32.600 0.082 0.000 1.692 330 M HN 0.083 nan 8.290 nan 0.000 0.444 331 L N 2.962 124.129 121.223 -0.094 0.000 2.377 331 L HA 0.532 4.872 4.340 -0.000 0.000 0.270 331 L C -2.090 174.652 176.870 -0.213 0.000 0.991 331 L CA 0.015 54.755 54.840 -0.166 0.000 0.851 331 L CB 0.855 42.791 42.059 -0.204 0.000 1.218 331 L HN 0.625 nan 8.230 nan 0.000 0.420 332 W N 4.471 125.746 121.300 -0.042 0.000 2.351 332 W HA 0.595 5.255 4.660 -0.000 0.000 0.311 332 W C 0.423 176.855 176.519 -0.145 0.000 1.168 332 W CA -0.166 57.159 57.345 -0.034 0.000 1.200 332 W CB 1.095 30.583 29.460 0.048 0.000 1.221 332 W HN 0.403 nan 8.180 nan 0.000 0.519 333 E N 3.607 123.858 120.200 0.085 0.000 2.317 333 E HA 0.433 4.783 4.350 -0.000 0.000 0.270 333 E C -1.233 175.400 176.600 0.055 0.000 0.885 333 E CA -0.720 55.660 56.400 -0.034 0.000 0.760 333 E CB 2.280 31.879 29.700 -0.169 0.000 1.227 333 E HN 0.676 nan 8.360 nan 0.000 0.434 334 Q N 1.083 120.910 119.800 0.045 0.000 2.594 334 Q HA 0.588 4.928 4.340 -0.000 0.000 0.278 334 Q C -0.911 175.142 176.000 0.089 0.000 0.961 334 Q CA -1.093 54.770 55.803 0.099 0.000 0.844 334 Q CB 0.713 29.503 28.738 0.087 0.000 1.475 334 Q HN 0.486 nan 8.270 nan 0.000 0.389 335 G N 1.316 110.214 108.800 0.163 0.000 2.415 335 G HA2 0.374 4.334 3.960 -0.000 0.000 0.269 335 G HA3 0.374 4.334 3.960 -0.000 0.000 0.269 335 G C 0.391 175.232 174.900 -0.099 0.000 1.209 335 G CA -0.806 44.355 45.100 0.103 0.000 0.835 335 G HN 0.661 nan 8.290 nan 0.000 0.534 336 L N 0.916 121.940 121.223 -0.333 0.000 2.191 336 L HA -0.026 4.313 4.340 -0.000 0.000 0.212 336 L C 1.129 177.680 176.870 -0.531 0.000 1.103 336 L CA 0.811 55.332 54.840 -0.532 0.000 0.769 336 L CB 0.015 41.549 42.059 -0.875 0.000 0.908 336 L HN 0.577 nan 8.230 nan 0.000 0.438 337 W N 0.026 121.255 121.300 -0.118 0.000 2.410 337 W HA 0.202 4.862 4.660 -0.000 0.000 0.400 337 W C 0.067 176.525 176.519 -0.102 0.000 0.777 337 W CA -1.008 56.259 57.345 -0.129 0.000 2.632 337 W CB -0.112 29.260 29.460 -0.147 0.000 1.504 337 W HN -0.059 nan 8.180 nan 0.000 0.757 338 D N 2.439 122.908 120.400 0.116 0.000 2.342 338 D HA -0.051 4.589 4.640 -0.000 0.000 0.260 338 D C 1.521 177.861 176.300 0.066 0.000 1.278 338 D CA 0.561 54.650 54.000 0.150 0.000 0.910 338 D CB 1.057 41.972 40.800 0.191 0.000 1.079 338 D HN 0.153 nan 8.370 nan 0.000 0.496 339 Q N 2.724 122.506 119.800 -0.030 0.000 2.365 339 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 339 Q C 0.145 176.133 176.000 -0.020 0.000 0.929 339 Q CA 0.734 56.440 55.803 -0.162 0.000 0.948 339 Q CB 0.288 28.702 28.738 -0.540 0.000 1.043 339 Q HN 0.593 nan 8.270 nan 0.000 0.505 340 E N -0.045 120.132 120.200 -0.039 0.000 2.444 340 E HA 0.126 4.476 4.350 -0.000 0.000 0.209 340 E C -0.386 176.135 176.600 -0.131 0.000 0.806 340 E CA 0.087 56.397 56.400 -0.149 0.000 1.240 340 E CB 0.779 30.160 29.700 -0.533 0.000 1.238 340 E HN 0.231 nan 8.360 nan 0.000 0.591 341 D N 0.785 121.172 120.400 -0.022 0.000 2.552 341 D HA 0.109 4.749 4.640 -0.000 0.000 0.285 341 D C 0.177 176.588 176.300 0.185 0.000 1.206 341 D CA -0.012 54.046 54.000 0.096 0.000 0.826 341 D CB 1.239 42.133 40.800 0.156 0.000 1.179 341 D HN 0.023 nan 8.370 nan 0.000 0.508 342 M N 0.229 119.941 119.600 0.186 0.000 2.349 342 M HA 0.058 4.538 4.480 -0.000 0.000 0.266 342 M C 1.512 177.936 176.300 0.208 0.000 1.076 342 M CA 1.052 56.459 55.300 0.179 0.000 1.126 342 M CB 0.178 32.892 32.600 0.190 0.000 1.392 342 M HN 0.395 nan 8.290 nan 0.000 0.440 343 W N 0.333 121.640 121.300 0.011 0.000 2.481 343 W HA 0.082 4.742 4.660 -0.000 0.000 0.293 343 W C 1.686 178.304 176.519 0.165 0.000 1.201 343 W CA 1.495 58.867 57.345 0.044 0.000 1.328 343 W CB -0.869 28.465 29.460 -0.209 0.000 1.112 343 W HN 0.311 nan 8.180 nan 0.000 0.546 344 G N 1.601 110.620 108.800 0.364 0.000 2.875 344 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.220 344 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.220 344 G C 1.666 176.695 174.900 0.214 0.000 1.293 344 G CA 2.735 48.020 45.100 0.309 0.000 0.789 344 G HN 0.374 nan 8.290 nan 0.000 0.677 345 A N 0.223 123.179 122.820 0.227 0.000 1.892 345 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 345 A C 2.510 180.103 177.584 0.014 0.000 1.188 345 A CA 1.935 54.105 52.037 0.221 0.000 0.631 345 A CB -0.507 18.648 19.000 0.259 0.000 0.822 345 A HN 0.590 nan 8.150 nan 0.000 0.447 346 I N -1.608 118.957 120.570 -0.008 0.000 2.252 346 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 346 I C 2.308 178.348 176.117 -0.128 0.000 1.102 346 I CA 1.914 63.181 61.300 -0.055 0.000 1.385 346 I CB -0.162 37.764 38.000 -0.123 0.000 1.064 346 I HN 0.490 nan 8.210 nan 0.000 0.414 347 H N 0.368 119.294 119.070 -0.241 0.000 2.428 347 H HA 0.030 4.586 4.556 -0.000 0.000 0.296 347 H C 2.179 177.379 175.328 -0.213 0.000 1.062 347 H CA 1.345 57.216 56.048 -0.294 0.000 1.350 347 H CB -0.124 29.301 29.762 -0.562 0.000 1.403 347 H HN 0.446 nan 8.280 nan 0.000 0.533 348 A N 0.162 122.871 122.820 -0.184 0.000 1.897 348 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 348 A C 2.092 179.269 177.584 -0.678 0.000 1.181 348 A CA 1.166 52.938 52.037 -0.441 0.000 0.620 348 A CB -0.999 17.566 19.000 -0.725 0.000 0.821 348 A HN 0.661 nan 8.150 nan 0.000 0.443 349 W N 0.761 121.484 121.300 -0.962 0.000 2.355 349 W HA -0.218 4.441 4.660 -0.000 0.000 0.309 349 W C 2.169 178.485 176.519 -0.339 0.000 1.206 349 W CA 2.182 59.063 57.345 -0.774 0.000 1.284 349 W CB -0.304 28.839 29.460 -0.528 0.000 1.145 349 W HN 0.373 nan 8.180 nan 0.000 0.502 350 Q N 0.988 120.577 119.800 -0.352 0.000 2.124 350 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 350 Q C 2.218 177.976 176.000 -0.402 0.000 0.977 350 Q CA 2.716 58.196 55.803 -0.538 0.000 0.850 350 Q CB -0.936 27.656 28.738 -0.243 0.000 0.901 350 Q HN 0.314 nan 8.270 nan 0.000 0.429 351 A N -0.257 122.410 122.820 -0.256 0.000 1.969 351 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 351 A C 2.027 179.516 177.584 -0.158 0.000 1.169 351 A CA 1.188 53.135 52.037 -0.150 0.000 0.635 351 A CB -0.539 18.424 19.000 -0.061 0.000 0.810 351 A HN 0.446 nan 8.150 nan 0.000 0.445 352 L N -0.996 120.094 121.223 -0.221 0.000 2.179 352 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 352 L C 2.541 179.290 176.870 -0.201 0.000 1.096 352 L CA 1.439 56.189 54.840 -0.149 0.000 0.779 352 L CB -0.293 41.719 42.059 -0.077 0.000 0.922 352 L HN 0.419 nan 8.230 nan 0.000 0.443 353 K N 0.259 120.426 120.400 -0.388 0.000 2.025 353 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 353 K C 1.551 178.014 176.600 -0.228 0.000 1.049 353 K CA 1.679 57.738 56.287 -0.380 0.000 0.933 353 K CB 0.060 32.144 32.500 -0.695 0.000 0.714 353 K HN 0.201 nan 8.250 nan 0.000 0.438 354 D N 0.239 120.509 120.400 -0.217 0.000 2.219 354 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 354 D C 1.268 177.521 176.300 -0.079 0.000 0.970 354 D CA 1.042 54.964 54.000 -0.130 0.000 0.851 354 D CB 0.018 40.750 40.800 -0.113 0.000 0.943 354 D HN 0.323 nan 8.370 nan 0.000 0.488 355 A N 0.343 123.119 122.820 -0.073 0.000 2.302 355 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 355 A C 0.408 177.977 177.584 -0.025 0.000 1.243 355 A CA 0.050 52.066 52.037 -0.035 0.000 0.856 355 A CB -0.092 18.897 19.000 -0.018 0.000 0.893 355 A HN 0.045 nan 8.150 nan 0.000 0.491 356 D N -0.253 120.123 120.400 -0.041 0.000 2.735 356 D HA -0.146 4.493 4.640 -0.000 0.000 0.235 356 D C -0.026 176.275 176.300 0.001 0.000 1.175 356 D CA 0.856 54.843 54.000 -0.022 0.000 0.683 356 D CB -1.137 39.657 40.800 -0.010 0.000 1.008 356 D HN 0.337 nan 8.370 nan 0.000 0.416 357 V N 2.225 122.139 119.914 -0.000 0.000 2.599 357 V HA -0.059 4.060 4.120 -0.000 0.000 0.300 357 V C 0.831 176.956 176.094 0.051 0.000 1.034 357 V CA 0.401 62.721 62.300 0.033 0.000 1.115 357 V CB 0.931 32.786 31.823 0.052 0.000 0.934 357 V HN 0.111 nan 8.190 nan 0.000 0.485 358 K N 6.372 126.805 120.400 0.054 0.000 2.758 358 K HA 0.628 4.948 4.320 -0.000 0.000 0.250 358 K C -0.232 176.409 176.600 0.067 0.000 1.268 358 K CA 0.362 56.683 56.287 0.057 0.000 1.228 358 K CB 0.291 32.819 32.500 0.046 0.000 1.715 358 K HN 0.836 nan 8.250 nan 0.000 0.334 359 A N 1.251 124.124 122.820 0.089 0.000 2.590 359 A HA 0.472 4.792 4.320 -0.000 0.000 0.294 359 A C -2.986 174.691 177.584 0.155 0.000 1.046 359 A CA -1.229 50.867 52.037 0.098 0.000 0.684 359 A CB 0.845 19.886 19.000 0.068 0.000 1.279 359 A HN 0.077 nan 8.150 nan 0.000 0.415 360 P HA 0.275 nan 4.420 nan 0.000 0.264 360 P C -0.731 176.751 177.300 0.303 0.000 1.193 360 P CA 0.578 63.849 63.100 0.285 0.000 0.763 360 P CB 0.260 32.217 31.700 0.428 0.000 0.810 361 N N 1.484 120.374 118.700 0.316 0.000 2.640 361 N HA 0.239 4.978 4.740 -0.000 0.000 0.262 361 N C -1.576 174.262 175.510 0.546 0.000 1.174 361 N CA -0.294 53.013 53.050 0.427 0.000 0.791 361 N CB 0.700 39.386 38.487 0.330 0.000 1.279 361 N HN 0.065 nan 8.380 nan 0.000 0.535 362 T N 2.325 117.116 114.554 0.394 0.000 2.829 362 T HA 0.458 4.808 4.350 -0.000 0.000 0.280 362 T C -0.892 173.797 174.700 -0.018 0.000 0.999 362 T CA -0.442 61.773 62.100 0.193 0.000 0.983 362 T CB 1.222 70.076 68.868 -0.023 0.000 0.968 362 T HN 0.347 nan 8.240 nan 0.000 0.446 363 L N 4.403 125.335 121.223 -0.485 0.000 2.295 363 L HA 0.745 5.085 4.340 -0.000 0.000 0.285 363 L C -1.090 175.470 176.870 -0.517 0.000 1.035 363 L CA -0.333 54.066 54.840 -0.735 0.000 0.806 363 L CB 1.073 42.154 42.059 -1.631 0.000 1.214 363 L HN 0.429 nan 8.230 nan 0.000 0.426 364 V N 6.344 126.031 119.914 -0.378 0.000 2.540 364 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 364 V C -0.204 175.686 176.094 -0.339 0.000 1.035 364 V CA -0.487 61.592 62.300 -0.367 0.000 0.873 364 V CB 1.705 33.288 31.823 -0.401 0.000 0.992 364 V HN 0.786 nan 8.190 nan 0.000 0.428 365 M N 3.837 123.219 119.600 -0.363 0.000 2.124 365 M HA 0.570 5.050 4.480 -0.000 0.000 0.280 365 M C 0.157 176.082 176.300 -0.626 0.000 0.954 365 M CA -0.163 54.879 55.300 -0.431 0.000 0.958 365 M CB 2.100 34.440 32.600 -0.433 0.000 1.611 365 M HN 0.799 nan 8.290 nan 0.000 0.449 366 G N 2.270 110.346 108.800 -1.206 0.000 2.601 366 G HA2 0.753 4.713 3.960 -0.000 0.000 0.317 366 G HA3 0.753 4.713 3.960 -0.000 0.000 0.317 366 G C -2.798 171.101 174.900 -1.669 0.000 1.246 366 G CA -1.337 42.580 45.100 -1.972 0.000 1.012 366 G HN 0.402 nan 8.290 nan 0.000 0.494 367 P HA 0.201 nan 4.420 nan 0.000 0.225 367 P C -1.092 175.853 177.300 -0.592 0.000 1.813 367 P CA -0.107 62.294 63.100 -1.164 0.000 1.013 367 P CB -0.115 30.365 31.700 -2.033 0.000 1.961 368 W N 2.173 123.419 121.300 -0.091 0.000 2.975 368 W HA 0.420 5.080 4.660 -0.000 0.000 0.342 368 W C 0.551 177.138 176.519 0.113 0.000 1.168 368 W CA -0.811 56.549 57.345 0.024 0.000 1.141 368 W CB 0.886 30.333 29.460 -0.022 0.000 1.445 368 W HN 0.053 nan 8.180 nan 0.000 0.560 369 R N -0.242 120.471 120.500 0.354 0.000 2.527 369 R HA 0.382 4.722 4.340 -0.000 0.000 0.243 369 R C -0.152 176.296 176.300 0.247 0.000 1.206 369 R CA -0.729 55.509 56.100 0.229 0.000 1.134 369 R CB -0.389 29.980 30.300 0.115 0.000 1.347 369 R HN 0.362 nan 8.270 nan 0.000 0.580 370 H N 0.066 119.204 119.070 0.114 0.000 3.125 370 H HA 0.038 4.594 4.556 -0.000 0.000 0.310 370 H C -0.194 175.232 175.328 0.162 0.000 0.980 370 H CA 1.655 57.785 56.048 0.136 0.000 1.422 370 H CB 0.110 29.948 29.762 0.127 0.000 1.432 370 H HN 0.713 nan 8.280 nan 0.000 0.577 371 S N 1.690 117.205 115.700 -0.308 0.000 2.981 371 S HA -0.261 4.209 4.470 -0.000 0.000 0.274 371 S C 1.922 176.539 174.600 0.028 0.000 1.297 371 S CA 0.979 59.072 58.200 -0.177 0.000 1.266 371 S CB -1.711 61.412 63.200 -0.129 0.000 1.542 371 S HN 1.021 nan 8.310 nan 0.000 0.674 372 G N 0.626 109.459 108.800 0.054 0.000 2.462 372 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.220 372 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.220 372 G C 1.241 175.920 174.900 -0.369 0.000 1.121 372 G CA 1.057 46.179 45.100 0.036 0.000 0.758 372 G HN 0.724 nan 8.290 nan 0.000 0.559 373 V N 1.116 120.600 119.914 -0.716 0.000 2.688 373 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 373 V C 1.727 177.516 176.094 -0.507 0.000 1.084 373 V CA 1.836 63.473 62.300 -1.105 0.000 1.103 373 V CB -0.346 30.915 31.823 -0.937 0.000 0.688 373 V HN 0.348 nan 8.190 nan 0.000 0.480 374 N N -1.303 117.163 118.700 -0.391 0.000 2.322 374 N HA 0.139 4.879 4.740 -0.000 0.000 0.194 374 N C -0.199 174.852 175.510 -0.766 0.000 1.126 374 N CA 0.302 53.045 53.050 -0.511 0.000 0.845 374 N CB 0.295 38.433 38.487 -0.582 0.000 0.976 374 N HN 0.632 nan 8.380 nan 0.000 0.475 375 Y N -0.735 119.493 120.300 -0.120 0.000 3.320 375 Y HA 0.297 4.847 4.550 -0.000 0.000 0.276 375 Y C 0.427 176.296 175.900 -0.051 0.000 2.015 375 Y CA -1.168 56.894 58.100 -0.063 0.000 0.982 375 Y CB 0.210 38.644 38.460 -0.044 0.000 1.555 375 Y HN -0.247 nan 8.280 nan 0.000 0.545 376 N N 0.558 119.370 118.700 0.186 0.000 2.422 376 N HA 0.228 4.968 4.740 -0.000 0.000 0.266 376 N C -0.229 175.376 175.510 0.159 0.000 1.007 376 N CA 0.112 53.241 53.050 0.130 0.000 0.941 376 N CB 1.461 40.011 38.487 0.105 0.000 1.115 376 N HN 0.865 nan 8.380 nan 0.000 0.492 377 G N 1.746 110.670 108.800 0.206 0.000 3.959 377 G HA2 0.066 4.026 3.960 -0.000 0.000 0.298 377 G HA3 0.066 4.026 3.960 -0.000 0.000 0.298 377 G C 0.655 175.781 174.900 0.377 0.000 1.211 377 G CA -0.293 45.021 45.100 0.355 0.000 1.001 377 G HN 0.537 nan 8.290 nan 0.000 0.561 378 S N -0.109 115.755 115.700 0.274 0.000 2.470 378 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 378 S C 1.386 176.088 174.600 0.171 0.000 1.006 378 S CA 0.923 59.259 58.200 0.226 0.000 0.934 378 S CB 0.253 63.527 63.200 0.123 0.000 0.778 378 S HN 0.724 nan 8.310 nan 0.000 0.517 379 T N -0.886 113.763 114.554 0.159 0.000 2.816 379 T HA 0.709 5.059 4.350 -0.000 0.000 0.299 379 T C -1.735 173.020 174.700 0.093 0.000 1.230 379 T CA -0.820 61.239 62.100 -0.068 0.000 1.007 379 T CB 1.805 70.612 68.868 -0.100 0.000 1.289 379 T HN -0.038 nan 8.240 nan 0.000 0.508 380 L N 1.023 122.197 121.223 -0.082 0.000 2.661 380 L HA 0.627 4.966 4.340 -0.000 0.000 0.263 380 L C 0.562 177.325 176.870 -0.179 0.000 0.956 380 L CA 1.478 56.308 54.840 -0.017 0.000 0.918 380 L CB 0.900 43.043 42.059 0.140 0.000 1.280 380 L HN 1.650 nan 8.230 nan 0.000 0.416 381 G N 5.616 114.337 108.800 -0.132 0.000 2.583 381 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.292 381 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.292 381 G C -1.741 173.058 174.900 -0.168 0.000 1.203 381 G CA 0.227 45.242 45.100 -0.142 0.000 0.987 381 G HN 0.621 nan 8.290 nan 0.000 0.554 382 P HA 0.280 nan 4.420 nan 0.000 0.255 382 P C 0.843 177.948 177.300 -0.323 0.000 1.248 382 P CA 0.226 63.193 63.100 -0.222 0.000 0.807 382 P CB 0.059 31.637 31.700 -0.203 0.000 1.150 383 L N 0.459 121.430 121.223 -0.420 0.000 2.417 383 L HA 0.263 4.603 4.340 -0.000 0.000 0.268 383 L C 0.595 177.025 176.870 -0.733 0.000 1.158 383 L CA -0.072 54.424 54.840 -0.573 0.000 0.819 383 L CB 0.393 42.062 42.059 -0.649 0.000 1.112 383 L HN -0.115 nan 8.230 nan 0.000 0.458 384 E N 1.658 121.426 120.200 -0.721 0.000 2.224 384 E HA 0.487 4.836 4.350 -0.000 0.000 0.265 384 E C -1.373 174.884 176.600 -0.572 0.000 0.878 384 E CA -0.524 55.526 56.400 -0.584 0.000 0.759 384 E CB 2.016 31.557 29.700 -0.265 0.000 1.164 384 E HN 0.196 nan 8.360 nan 0.000 0.414 385 F N 0.471 120.411 119.950 -0.017 0.000 2.525 385 F HA 0.282 4.808 4.527 -0.000 0.000 0.346 385 F C 1.020 176.845 175.800 0.041 0.000 1.072 385 F CA -1.062 56.933 58.000 -0.009 0.000 1.033 385 F CB 0.665 39.560 39.000 -0.175 0.000 1.324 385 F HN 0.216 nan 8.300 nan 0.000 0.491 386 E N 1.723 122.110 120.200 0.313 0.000 1.802 386 E HA 0.382 4.732 4.350 -0.000 0.000 0.265 386 E C 0.518 177.248 176.600 0.217 0.000 1.168 386 E CA 0.170 56.705 56.400 0.226 0.000 1.033 386 E CB -0.245 29.589 29.700 0.222 0.000 1.095 386 E HN 0.774 nan 8.360 nan 0.000 0.436 387 G N 2.884 111.793 108.800 0.181 0.000 2.796 387 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.571 387 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.571 387 G C -0.357 174.672 174.900 0.215 0.000 1.370 387 G CA -0.570 44.637 45.100 0.179 0.000 0.856 387 G HN 0.471 nan 8.290 nan 0.000 0.538 388 D N 0.851 121.380 120.400 0.214 0.000 2.441 388 D HA 0.312 4.952 4.640 -0.000 0.000 0.243 388 D C 2.204 178.705 176.300 0.334 0.000 1.257 388 D CA 0.895 55.041 54.000 0.244 0.000 1.027 388 D CB -0.159 40.757 40.800 0.193 0.000 1.084 388 D HN 0.785 nan 8.370 nan 0.000 0.514 389 T N 0.483 115.260 114.554 0.372 0.000 2.849 389 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 389 T C 1.819 176.974 174.700 0.758 0.000 1.066 389 T CA 1.006 63.431 62.100 0.541 0.000 1.130 389 T CB -0.079 68.898 68.868 0.183 0.000 0.864 389 T HN 0.253 nan 8.240 nan 0.000 0.481 390 A N 1.311 124.452 122.820 0.534 0.000 1.873 390 A HA -0.049 4.270 4.320 -0.000 0.000 0.215 390 A C 2.225 179.938 177.584 0.214 0.000 1.186 390 A CA 1.826 53.960 52.037 0.162 0.000 0.616 390 A CB -1.158 17.693 19.000 -0.249 0.000 0.823 390 A HN 0.709 nan 8.150 nan 0.000 0.442 391 H N -0.264 118.878 119.070 0.120 0.000 2.389 391 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 391 H C 2.102 177.472 175.328 0.070 0.000 1.081 391 H CA 2.055 58.136 56.048 0.054 0.000 1.345 391 H CB -0.188 29.600 29.762 0.043 0.000 1.393 391 H HN 0.576 nan 8.280 nan 0.000 0.520 392 Q N -0.985 118.898 119.800 0.138 0.000 2.061 392 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 392 Q C 1.989 177.956 176.000 -0.056 0.000 0.984 392 Q CA 1.921 57.759 55.803 0.059 0.000 0.846 392 Q CB -0.355 28.557 28.738 0.290 0.000 0.902 392 Q HN 0.667 nan 8.270 nan 0.000 0.421 393 Y N 1.114 121.382 120.300 -0.053 0.000 2.145 393 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 393 Y C 2.141 177.976 175.900 -0.108 0.000 1.145 393 Y CA 1.447 59.458 58.100 -0.149 0.000 1.148 393 Y CB 0.062 38.554 38.460 0.053 0.000 0.981 393 Y HN -0.089 nan 8.280 nan 0.000 0.507 394 R N -0.006 120.299 120.500 -0.324 0.000 2.105 394 R HA -0.180 4.159 4.340 -0.000 0.000 0.239 394 R C 2.507 178.495 176.300 -0.521 0.000 1.135 394 R CA 1.790 57.634 56.100 -0.426 0.000 0.967 394 R CB -0.362 29.803 30.300 -0.225 0.000 0.861 394 R HN 0.376 nan 8.270 nan 0.000 0.442 395 R N 0.446 120.644 120.500 -0.502 0.000 2.100 395 R HA -0.070 4.270 4.340 -0.000 0.000 0.220 395 R C 0.738 176.849 176.300 -0.315 0.000 1.091 395 R CA 1.380 57.206 56.100 -0.457 0.000 0.986 395 R CB 0.284 30.262 30.300 -0.536 0.000 0.888 395 R HN 0.102 nan 8.270 nan 0.000 0.444 396 D N -0.726 119.511 120.400 -0.272 0.000 2.366 396 D HA 0.027 4.666 4.640 -0.000 0.000 0.205 396 D C 1.368 177.579 176.300 -0.149 0.000 1.022 396 D CA 0.510 54.404 54.000 -0.177 0.000 0.868 396 D CB 0.925 41.642 40.800 -0.139 0.000 0.953 396 D HN 0.095 nan 8.370 nan 0.000 0.514 397 V N -0.093 119.679 119.914 -0.236 0.000 3.161 397 V HA 0.017 4.136 4.120 -0.000 0.000 0.221 397 V C 1.710 177.737 176.094 -0.112 0.000 1.296 397 V CA -0.159 62.045 62.300 -0.160 0.000 1.306 397 V CB -0.097 31.630 31.823 -0.159 0.000 1.171 397 V HN -0.043 nan 8.190 nan 0.000 0.513 398 F N 2.475 122.034 119.950 -0.653 0.000 2.043 398 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 398 F C 2.608 178.272 175.800 -0.227 0.000 1.121 398 F CA 2.640 60.329 58.000 -0.518 0.000 1.199 398 F CB -0.602 37.861 39.000 -0.895 0.000 0.968 398 F HN 0.111 nan 8.300 nan 0.000 0.478 399 R N 0.713 121.011 120.500 -0.336 0.000 2.080 399 R HA -0.127 4.212 4.340 -0.000 0.000 0.236 399 R C -0.814 175.469 176.300 -0.028 0.000 1.137 399 R CA 2.104 57.946 56.100 -0.429 0.000 0.943 399 R CB -1.923 28.002 30.300 -0.624 0.000 0.846 399 R HN 0.191 nan 8.270 nan 0.000 0.431 400 P HA -0.110 nan 4.420 nan 0.000 0.215 400 P C 1.094 178.504 177.300 0.183 0.000 1.153 400 P CA 1.219 64.360 63.100 0.068 0.000 0.853 400 P CB -0.248 31.473 31.700 0.034 0.000 0.788 401 F N -1.238 118.806 119.950 0.157 0.000 2.134 401 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 401 F C 1.932 178.001 175.800 0.448 0.000 1.097 401 F CA 1.344 59.510 58.000 0.276 0.000 1.264 401 F CB -0.456 38.745 39.000 0.336 0.000 1.001 401 F HN -0.231 nan 8.300 nan 0.000 0.479 402 F N 1.033 121.155 119.950 0.286 0.000 2.206 402 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 402 F C 2.193 178.109 175.800 0.194 0.000 1.090 402 F CA 1.396 59.548 58.000 0.253 0.000 1.323 402 F CB -0.940 38.293 39.000 0.388 0.000 1.028 402 F HN -0.042 nan 8.300 nan 0.000 0.492 403 D N -0.195 120.398 120.400 0.321 0.000 2.144 403 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 403 D C 2.178 178.453 176.300 -0.041 0.000 0.984 403 D CA 1.097 55.195 54.000 0.164 0.000 0.834 403 D CB -0.389 40.482 40.800 0.119 0.000 0.955 403 D HN 0.385 nan 8.370 nan 0.000 0.465 404 E N -0.566 119.527 120.200 -0.178 0.000 2.085 404 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 404 E C 1.275 177.527 176.600 -0.580 0.000 0.994 404 E CA 1.131 57.255 56.400 -0.460 0.000 0.801 404 E CB -0.055 29.194 29.700 -0.750 0.000 0.743 404 E HN 0.440 nan 8.360 nan 0.000 0.453 405 Y N -0.808 119.373 120.300 -0.200 0.000 2.497 405 Y HA 0.174 4.724 4.550 -0.000 0.000 0.265 405 Y C 1.751 177.547 175.900 -0.172 0.000 1.111 405 Y CA 0.042 58.014 58.100 -0.213 0.000 1.288 405 Y CB 0.507 38.775 38.460 -0.321 0.000 1.082 405 Y HN 0.010 nan 8.280 nan 0.000 0.536 406 L N -0.648 120.562 121.223 -0.022 0.000 2.609 406 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 406 L C 0.113 176.920 176.870 -0.105 0.000 1.087 406 L CA 0.492 55.299 54.840 -0.056 0.000 0.874 406 L CB 0.337 42.394 42.059 -0.003 0.000 1.114 406 L HN -0.138 nan 8.230 nan 0.000 0.488 407 K N 1.159 121.506 120.400 -0.089 0.000 2.530 407 K HA 0.327 4.647 4.320 -0.000 0.000 0.230 407 K C -2.484 174.061 176.600 -0.091 0.000 1.002 407 K CA -1.824 54.401 56.287 -0.102 0.000 1.014 407 K CB 1.436 33.884 32.500 -0.087 0.000 1.286 407 K HN -0.231 nan 8.250 nan 0.000 0.480 408 P HA -0.094 nan 4.420 nan 0.000 0.263 408 P C 0.802 178.059 177.300 -0.071 0.000 1.175 408 P CA 1.123 64.176 63.100 -0.078 0.000 0.761 408 P CB 0.685 32.345 31.700 -0.066 0.000 0.794 409 G N 1.478 110.235 108.800 -0.071 0.000 2.213 409 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 409 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 409 G C 0.441 175.303 174.900 -0.063 0.000 0.991 409 G CA -0.059 45.006 45.100 -0.059 0.000 0.629 409 G HN 0.579 nan 8.290 nan 0.000 0.517 410 S N 0.998 116.651 115.700 -0.078 0.000 2.579 410 S HA 0.600 5.070 4.470 -0.000 0.000 0.275 410 S C 0.952 175.498 174.600 -0.089 0.000 1.345 410 S CA 0.213 58.368 58.200 -0.076 0.000 1.031 410 S CB 1.305 64.458 63.200 -0.079 0.000 0.892 410 S HN 1.613 nan 8.310 nan 0.000 0.529 411 A N 2.665 125.445 122.820 -0.067 0.000 2.498 411 A HA 0.362 4.682 4.320 -0.000 0.000 0.239 411 A C 0.628 178.151 177.584 -0.101 0.000 1.068 411 A CA -0.180 51.821 52.037 -0.061 0.000 0.766 411 A CB -0.002 18.978 19.000 -0.034 0.000 1.003 411 A HN 0.671 nan 8.150 nan 0.000 0.497 412 S N -0.517 115.119 115.700 -0.105 0.000 2.601 412 S HA 0.492 4.962 4.470 -0.000 0.000 0.271 412 S C 0.145 174.640 174.600 -0.175 0.000 1.305 412 S CA -0.074 58.008 58.200 -0.197 0.000 1.022 412 S CB 1.064 64.142 63.200 -0.205 0.000 0.940 412 S HN 1.373 nan 8.310 nan 0.000 0.525 413 V N 0.870 120.644 119.914 -0.233 0.000 2.680 413 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 413 V C -0.993 174.961 176.094 -0.233 0.000 1.052 413 V CA -0.708 61.536 62.300 -0.093 0.000 0.908 413 V CB 1.672 33.546 31.823 0.085 0.000 1.001 413 V HN 0.905 nan 8.190 nan 0.000 0.431 414 H N 4.870 124.021 119.070 0.134 0.000 2.736 414 H HA 0.498 5.054 4.556 -0.000 0.000 0.271 414 H C -0.712 174.711 175.328 0.158 0.000 1.184 414 H CA -0.307 55.828 56.048 0.146 0.000 1.378 414 H CB 1.510 31.332 29.762 0.101 0.000 1.428 414 H HN 0.579 nan 8.280 nan 0.000 0.500 415 L N 4.557 125.929 121.223 0.248 0.000 2.375 415 L HA 0.279 4.619 4.340 -0.000 0.000 0.271 415 L C -1.441 175.550 176.870 0.202 0.000 1.107 415 L CA -1.647 53.312 54.840 0.198 0.000 0.806 415 L CB 0.703 42.820 42.059 0.096 0.000 1.146 415 L HN 0.351 nan 8.230 nan 0.000 0.447 416 P HA 0.140 nan 4.420 nan 0.000 0.297 416 P C -0.149 177.268 177.300 0.194 0.000 1.303 416 P CA -0.427 62.792 63.100 0.197 0.000 0.753 416 P CB 0.897 32.720 31.700 0.206 0.000 1.281 417 D N -0.956 119.597 120.400 0.256 0.000 2.117 417 D HA 0.036 4.675 4.640 -0.000 0.000 0.197 417 D C 0.537 176.964 176.300 0.213 0.000 0.987 417 D CA 1.497 55.720 54.000 0.373 0.000 0.829 417 D CB -0.236 40.864 40.800 0.500 0.000 0.961 417 D HN 0.514 nan 8.370 nan 0.000 0.460 418 A N -0.567 122.282 122.820 0.048 0.000 2.520 418 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 418 A C -1.234 176.167 177.584 -0.305 0.000 1.051 418 A CA -0.591 51.279 52.037 -0.278 0.000 0.690 418 A CB 1.285 19.925 19.000 -0.600 0.000 1.281 418 A HN 0.035 nan 8.150 nan 0.000 0.402 419 I N 2.858 123.173 120.570 -0.425 0.000 2.390 419 I HA 0.423 4.593 4.170 -0.000 0.000 0.283 419 I C -0.981 174.950 176.117 -0.310 0.000 1.016 419 I CA -0.048 60.948 61.300 -0.507 0.000 1.151 419 I CB 0.988 38.578 38.000 -0.682 0.000 1.293 419 I HN 0.462 nan 8.210 nan 0.000 0.458 420 I N 5.720 126.137 120.570 -0.254 0.000 2.498 420 I HA 0.277 4.446 4.170 -0.000 0.000 0.290 420 I C -0.702 175.281 176.117 -0.223 0.000 1.032 420 I CA -0.958 60.191 61.300 -0.251 0.000 1.073 420 I CB 2.140 39.885 38.000 -0.424 0.000 1.251 420 I HN 0.399 nan 8.210 nan 0.000 0.426 421 Y N 6.163 126.090 120.300 -0.622 0.000 2.411 421 Y HA 0.114 4.663 4.550 -0.000 0.000 0.333 421 Y C 0.466 176.017 175.900 -0.582 0.000 1.186 421 Y CA 0.249 57.772 58.100 -0.961 0.000 1.381 421 Y CB 0.602 38.151 38.460 -1.517 0.000 1.273 421 Y HN 0.506 nan 8.280 nan 0.000 0.546 422 N N 3.701 121.816 118.700 -0.975 0.000 2.462 422 N HA 0.015 4.755 4.740 -0.000 0.000 0.242 422 N C 0.536 175.765 175.510 -0.469 0.000 1.010 422 N CA 0.353 53.068 53.050 -0.559 0.000 0.939 422 N CB 1.111 39.333 38.487 -0.441 0.000 1.127 422 N HN 0.902 nan 8.380 nan 0.000 0.509 423 T N -0.141 114.336 114.554 -0.128 0.000 3.098 423 T HA -0.000 4.349 4.350 -0.000 0.000 0.266 423 T C 1.419 176.181 174.700 0.104 0.000 1.145 423 T CA 0.908 63.100 62.100 0.154 0.000 1.092 423 T CB 0.118 69.118 68.868 0.221 0.000 0.908 423 T HN 0.431 nan 8.240 nan 0.000 0.526 424 G N 0.996 109.655 108.800 -0.236 0.000 2.692 424 G HA2 0.072 4.032 3.960 -0.000 0.000 0.209 424 G HA3 0.072 4.032 3.960 -0.000 0.000 0.209 424 G C 1.137 175.890 174.900 -0.245 0.000 1.166 424 G CA 0.138 44.983 45.100 -0.425 0.000 0.844 424 G HN 0.379 nan 8.290 nan 0.000 0.596 425 D N 0.615 120.861 120.400 -0.257 0.000 2.264 425 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 425 D C 0.551 176.730 176.300 -0.201 0.000 0.966 425 D CA 0.486 54.363 54.000 -0.206 0.000 0.864 425 D CB 0.076 40.752 40.800 -0.207 0.000 0.933 425 D HN 0.126 nan 8.370 nan 0.000 0.499 426 Q N -0.572 119.062 119.800 -0.277 0.000 2.459 426 Q HA -0.212 4.128 4.340 -0.000 0.000 0.314 426 Q C -0.490 175.298 176.000 -0.354 0.000 1.432 426 Q CA 0.840 56.508 55.803 -0.224 0.000 0.823 426 Q CB -2.001 26.763 28.738 0.043 0.000 1.124 426 Q HN 0.603 nan 8.270 nan 0.000 0.392 427 K N -2.584 117.336 120.400 -0.801 0.000 2.607 427 K HA 0.602 4.921 4.320 -0.000 0.000 0.287 427 K C -1.294 174.860 176.600 -0.743 0.000 0.996 427 K CA -1.018 54.947 56.287 -0.536 0.000 0.876 427 K CB 0.712 33.081 32.500 -0.219 0.000 1.496 427 K HN -0.025 nan 8.250 nan 0.000 0.415 428 W N 1.567 122.720 121.300 -0.244 0.000 2.272 428 W HA 0.295 4.955 4.660 -0.000 0.000 0.318 428 W C -0.505 175.900 176.519 -0.190 0.000 1.255 428 W CA 0.321 57.553 57.345 -0.188 0.000 1.200 428 W CB 1.000 30.461 29.460 0.001 0.000 1.170 428 W HN 0.387 nan 8.180 nan 0.000 0.549 429 D N 2.317 122.669 120.400 -0.080 0.000 2.308 429 D HA 0.192 4.832 4.640 -0.000 0.000 0.242 429 D C -1.285 174.752 176.300 -0.439 0.000 1.059 429 D CA -0.625 53.178 54.000 -0.329 0.000 0.830 429 D CB 1.047 41.445 40.800 -0.670 0.000 1.161 429 D HN 0.234 nan 8.370 nan 0.000 0.494 430 Y N 1.655 121.698 120.300 -0.429 0.000 2.385 430 Y HA 0.261 4.811 4.550 -0.000 0.000 0.341 430 Y C -0.293 175.419 175.900 -0.314 0.000 0.965 430 Y CA -0.809 57.121 58.100 -0.283 0.000 1.180 430 Y CB 0.748 39.130 38.460 -0.130 0.000 1.139 430 Y HN 0.274 nan 8.280 nan 0.000 0.502 431 Y N 3.378 123.717 120.300 0.065 0.000 2.434 431 Y HA 0.269 4.819 4.550 -0.000 0.000 0.341 431 Y C 1.449 177.444 175.900 0.159 0.000 0.965 431 Y CA -0.758 57.413 58.100 0.118 0.000 1.205 431 Y CB 1.081 39.618 38.460 0.128 0.000 1.121 431 Y HN 0.630 nan 8.280 nan 0.000 0.507 432 R N 1.280 121.965 120.500 0.308 0.000 2.094 432 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 432 R C -0.180 176.279 176.300 0.265 0.000 1.137 432 R CA 1.422 57.667 56.100 0.242 0.000 0.943 432 R CB 0.076 30.488 30.300 0.186 0.000 0.850 432 R HN 0.491 nan 8.270 nan 0.000 0.433 433 S N -1.259 114.610 115.700 0.282 0.000 2.532 433 S HA 0.405 4.875 4.470 -0.000 0.000 0.299 433 S C -1.833 172.965 174.600 0.330 0.000 1.105 433 S CA -0.604 57.751 58.200 0.258 0.000 1.018 433 S CB 1.827 65.117 63.200 0.151 0.000 1.021 433 S HN 0.374 nan 8.310 nan 0.000 0.483 434 W N 4.700 126.078 121.300 0.130 0.000 3.372 434 W HA 0.529 5.188 4.660 -0.000 0.000 0.315 434 W C -3.018 173.599 176.519 0.164 0.000 1.223 434 W CA -1.477 55.900 57.345 0.054 0.000 1.202 434 W CB 1.164 30.640 29.460 0.028 0.000 1.367 434 W HN 0.403 nan 8.180 nan 0.000 0.531 435 P HA 0.241 nan 4.420 nan 0.000 0.278 435 P C 0.259 177.228 177.300 -0.551 0.000 1.266 435 P CA -0.156 62.122 63.100 -1.370 0.000 0.807 435 P CB 1.583 32.396 31.700 -1.477 0.000 1.094 436 S N -0.979 114.443 115.700 -0.464 0.000 2.503 436 S HA 0.177 4.647 4.470 -0.000 0.000 0.217 436 S C 0.601 175.082 174.600 -0.198 0.000 0.999 436 S CA 0.087 58.153 58.200 -0.224 0.000 0.914 436 S CB -0.717 62.395 63.200 -0.146 0.000 0.782 436 S HN 0.393 nan 8.310 nan 0.000 0.520 437 V N -0.344 119.415 119.914 -0.258 0.000 2.789 437 V HA 0.922 5.042 4.120 -0.000 0.000 0.311 437 V C -0.287 175.677 176.094 -0.216 0.000 1.073 437 V CA -0.843 61.345 62.300 -0.187 0.000 0.921 437 V CB 0.484 32.222 31.823 -0.143 0.000 1.009 437 V HN 0.884 nan 8.190 nan 0.000 0.426 438 C N 1.365 120.574 119.300 -0.151 0.000 0.000 438 C HA 0.548 5.008 4.460 -0.000 0.000 0.000 438 C C 1.023 175.967 174.990 -0.076 0.000 0.000 438 C CA -0.048 58.889 59.018 -0.136 0.000 0.000 438 C CB 1.142 28.783 27.740 -0.166 0.000 0.000 438 C HN 0.976 nan 8.230 nan 0.000 0.000 439 E N 1.169 121.341 120.200 -0.047 0.000 2.110 439 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 439 E C 0.713 177.306 176.600 -0.011 0.000 0.988 439 E CA 1.901 58.298 56.400 -0.006 0.000 0.804 439 E CB 0.061 29.787 29.700 0.043 0.000 0.745 439 E HN 0.882 nan 8.360 nan 0.000 0.458 440 S N -1.161 114.523 115.700 -0.025 0.000 2.537 440 S HA 0.287 4.756 4.470 -0.000 0.000 0.271 440 S C -0.513 174.064 174.600 -0.038 0.000 1.148 440 S CA -0.827 57.359 58.200 -0.024 0.000 0.868 440 S CB 1.293 64.487 63.200 -0.010 0.000 1.115 440 S HN 0.303 nan 8.310 nan 0.000 0.461 441 N N -0.406 118.273 118.700 -0.034 0.000 2.758 441 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 441 N C -0.663 174.815 175.510 -0.054 0.000 1.076 441 N CA 0.663 53.689 53.050 -0.039 0.000 0.696 441 N CB -1.736 36.728 38.487 -0.038 0.000 0.979 441 N HN 0.694 nan 8.380 nan 0.000 0.550 442 C N -1.522 117.743 119.300 -0.058 0.000 2.973 442 C HA 0.366 4.826 4.460 -0.000 0.000 0.329 442 C C 2.234 177.191 174.990 -0.055 0.000 1.327 442 C CA -0.434 58.541 59.018 -0.072 0.000 1.632 442 C CB 1.649 29.326 27.740 -0.106 0.000 2.098 442 C HN 0.441 nan 8.230 nan 0.000 0.469 443 T N 0.601 115.122 114.554 -0.056 0.000 2.833 443 T HA 0.120 4.470 4.350 -0.000 0.000 0.269 443 T C 0.696 175.371 174.700 -0.041 0.000 1.054 443 T CA 1.674 63.750 62.100 -0.039 0.000 1.135 443 T CB -0.169 68.679 68.868 -0.034 0.000 0.869 443 T HN 0.934 nan 8.240 nan 0.000 0.466 444 G N -0.963 107.803 108.800 -0.057 0.000 2.766 444 G HA2 0.624 4.584 3.960 -0.000 0.000 0.288 444 G HA3 0.624 4.584 3.960 -0.000 0.000 0.288 444 G C -0.723 174.142 174.900 -0.058 0.000 1.408 444 G CA -0.329 44.740 45.100 -0.051 0.000 0.852 444 G HN 0.349 nan 8.290 nan 0.000 0.487 445 G N -1.321 107.452 108.800 -0.045 0.000 2.597 445 G HA2 0.562 4.522 3.960 -0.000 0.000 0.317 445 G HA3 0.562 4.522 3.960 -0.000 0.000 0.317 445 G C -0.982 173.892 174.900 -0.043 0.000 1.230 445 G CA -0.672 44.404 45.100 -0.040 0.000 0.996 445 G HN 0.463 nan 8.290 nan 0.000 0.490 446 L N 0.215 121.415 121.223 -0.038 0.000 2.417 446 L HA 0.378 4.718 4.340 -0.000 0.000 0.268 446 L C 0.907 177.765 176.870 -0.020 0.000 1.158 446 L CA 0.050 54.868 54.840 -0.037 0.000 0.819 446 L CB 1.210 43.244 42.059 -0.041 0.000 1.112 446 L HN 0.357 nan 8.230 nan 0.000 0.458 447 T N 4.271 118.820 114.554 -0.009 0.000 2.770 447 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 447 T C -2.437 172.275 174.700 0.020 0.000 0.997 447 T CA -1.190 60.924 62.100 0.023 0.000 0.949 447 T CB 1.211 70.096 68.868 0.028 0.000 0.941 447 T HN 0.306 nan 8.240 nan 0.000 0.457 448 P HA 0.260 nan 4.420 nan 0.000 0.271 448 P C -0.855 176.206 177.300 -0.398 0.000 1.216 448 P CA -0.731 62.157 63.100 -0.353 0.000 0.771 448 P CB 0.497 31.777 31.700 -0.701 0.000 0.864 449 L N 5.547 126.495 121.223 -0.459 0.000 2.301 449 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 449 L C -1.302 175.280 176.870 -0.479 0.000 1.022 449 L CA -0.853 53.655 54.840 -0.554 0.000 0.854 449 L CB -0.325 41.403 42.059 -0.552 0.000 1.226 449 L HN 0.197 nan 8.230 nan 0.000 0.429 450 Y N 4.333 124.472 120.300 -0.269 0.000 2.309 450 Y HA 0.378 4.928 4.550 -0.000 0.000 0.327 450 Y C 0.229 175.962 175.900 -0.277 0.000 1.172 450 Y CA -0.369 57.583 58.100 -0.246 0.000 1.280 450 Y CB 0.770 39.089 38.460 -0.235 0.000 1.234 450 Y HN 0.392 nan 8.280 nan 0.000 0.512 451 L N 2.733 123.869 121.223 -0.144 0.000 2.439 451 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 451 L C 0.352 177.073 176.870 -0.248 0.000 1.179 451 L CA 0.320 54.942 54.840 -0.363 0.000 0.828 451 L CB 0.142 41.810 42.059 -0.652 0.000 1.106 451 L HN 0.847 nan 8.230 nan 0.000 0.467 452 A N 1.657 124.291 122.820 -0.311 0.000 2.567 452 A HA 0.470 4.790 4.320 -0.000 0.000 0.289 452 A C -0.880 176.382 177.584 -0.536 0.000 1.177 452 A CA -0.732 51.084 52.037 -0.368 0.000 0.694 452 A CB 0.670 19.581 19.000 -0.148 0.000 1.292 452 A HN 0.586 nan 8.150 nan 0.000 0.425 453 D N -0.412 119.756 120.400 -0.388 0.000 2.378 453 D HA 0.361 5.001 4.640 -0.000 0.000 0.238 453 D C 1.309 177.538 176.300 -0.118 0.000 1.180 453 D CA 2.067 55.934 54.000 -0.222 0.000 0.895 453 D CB 0.627 41.407 40.800 -0.034 0.000 1.192 453 D HN 1.500 nan 8.370 nan 0.000 0.438 454 G N 2.000 110.758 108.800 -0.070 0.000 2.179 454 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 454 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 454 G C 0.335 175.287 174.900 0.087 0.000 1.010 454 G CA 0.925 46.045 45.100 0.032 0.000 0.736 454 G HN 0.856 nan 8.290 nan 0.000 0.513 455 H N -2.232 116.783 119.070 -0.091 0.000 2.770 455 H HA -0.066 4.490 4.556 -0.000 0.000 0.309 455 H C 1.417 176.756 175.328 0.018 0.000 1.206 455 H CA 1.944 57.893 56.048 -0.165 0.000 1.147 455 H CB -1.318 28.255 29.762 -0.315 0.000 1.422 455 H HN 1.334 nan 8.280 nan 0.000 0.420 456 G N -0.591 108.285 108.800 0.127 0.000 2.601 456 G HA2 0.713 4.673 3.960 -0.000 0.000 0.317 456 G HA3 0.713 4.673 3.960 -0.000 0.000 0.317 456 G C -0.697 174.237 174.900 0.055 0.000 1.246 456 G CA -0.928 44.217 45.100 0.076 0.000 1.012 456 G HN 0.162 nan 8.290 nan 0.000 0.494 457 L N 0.145 121.353 121.223 -0.025 0.000 2.408 457 L HA 0.675 5.014 4.340 -0.000 0.000 0.268 457 L C -0.321 176.457 176.870 -0.153 0.000 0.986 457 L CA -0.745 54.023 54.840 -0.121 0.000 0.820 457 L CB 2.388 44.349 42.059 -0.163 0.000 1.303 457 L HN 0.621 nan 8.230 nan 0.000 0.411 458 S N 0.757 116.353 115.700 -0.174 0.000 2.537 458 S HA 0.504 4.974 4.470 -0.000 0.000 0.270 458 S C -0.021 174.510 174.600 -0.115 0.000 1.142 458 S CA -0.489 57.639 58.200 -0.121 0.000 0.870 458 S CB 1.091 64.288 63.200 -0.005 0.000 1.112 458 S HN 0.456 nan 8.310 nan 0.000 0.466 459 F N 1.777 121.773 119.950 0.077 0.000 2.748 459 F HA 0.144 4.671 4.527 -0.000 0.000 0.299 459 F C 1.458 177.390 175.800 0.219 0.000 1.154 459 F CA 0.349 58.411 58.000 0.103 0.000 1.446 459 F CB 0.241 39.265 39.000 0.041 0.000 1.112 459 F HN 0.402 nan 8.300 nan 0.000 0.584 460 T N -0.735 113.999 114.554 0.299 0.000 2.780 460 T HA 0.044 4.394 4.350 -0.000 0.000 0.294 460 T C -0.455 174.273 174.700 0.047 0.000 0.949 460 T CA -0.390 61.826 62.100 0.193 0.000 1.074 460 T CB 0.218 69.150 68.868 0.106 0.000 0.910 460 T HN 0.135 nan 8.240 nan 0.000 0.501 461 H N 4.781 123.703 119.070 -0.248 0.000 3.046 461 H HA 0.184 4.740 4.556 -0.000 0.000 0.303 461 H C -2.163 172.909 175.328 -0.427 0.000 1.002 461 H CA -1.477 54.065 56.048 -0.844 0.000 1.460 461 H CB 0.360 29.751 29.762 -0.619 0.000 1.493 461 H HN 0.289 nan 8.280 nan 0.000 0.559 462 P HA 0.066 nan 4.420 nan 0.000 0.276 462 P C -0.087 177.264 177.300 0.086 0.000 1.253 462 P CA -0.078 63.011 63.100 -0.019 0.000 0.766 462 P CB 1.369 33.048 31.700 -0.036 0.000 0.845 463 A N 4.074 126.898 122.820 0.008 0.000 1.858 463 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 463 A C 1.227 178.798 177.584 -0.021 0.000 1.190 463 A CA 1.462 53.475 52.037 -0.039 0.000 0.617 463 A CB -1.159 17.807 19.000 -0.056 0.000 0.827 463 A HN 0.605 nan 8.150 nan 0.000 0.443 464 A N 0.561 123.375 122.820 -0.009 0.000 2.388 464 A HA 0.435 4.755 4.320 -0.000 0.000 0.257 464 A C -0.344 177.227 177.584 -0.022 0.000 1.095 464 A CA -0.473 51.556 52.037 -0.014 0.000 0.791 464 A CB 0.092 19.086 19.000 -0.010 0.000 1.029 464 A HN 0.477 nan 8.150 nan 0.000 0.489 465 D N 0.171 120.546 120.400 -0.042 0.000 2.344 465 D HA 0.527 5.167 4.640 -0.000 0.000 0.244 465 D C 0.409 176.531 176.300 -0.297 0.000 1.134 465 D CA 1.147 55.084 54.000 -0.105 0.000 0.930 465 D CB 1.621 42.447 40.800 0.045 0.000 1.175 465 D HN 0.808 nan 8.370 nan 0.000 0.437 466 G N -1.230 107.113 108.800 -0.761 0.000 2.506 466 G HA2 0.606 4.566 3.960 -0.000 0.000 0.292 466 G HA3 0.606 4.566 3.960 -0.000 0.000 0.292 466 G C -2.030 172.136 174.900 -1.225 0.000 1.425 466 G CA -0.292 44.295 45.100 -0.856 0.000 0.788 466 G HN 0.603 nan 8.290 nan 0.000 0.490 467 A N 0.209 122.649 122.820 -0.633 0.000 2.566 467 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 467 A C -1.995 175.591 177.584 0.004 0.000 1.059 467 A CA -0.674 51.190 52.037 -0.288 0.000 0.691 467 A CB 1.896 20.817 19.000 -0.130 0.000 1.282 467 A HN 0.494 nan 8.150 nan 0.000 0.401 468 D N 1.337 121.822 120.400 0.142 0.000 2.362 468 D HA 0.652 5.292 4.640 -0.000 0.000 0.247 468 D C -0.459 175.971 176.300 0.216 0.000 1.050 468 D CA 0.040 54.147 54.000 0.178 0.000 0.839 468 D CB 2.095 42.996 40.800 0.169 0.000 1.283 468 D HN 0.395 nan 8.370 nan 0.000 0.477 469 S N 1.003 116.818 115.700 0.192 0.000 2.568 469 S HA 0.743 5.212 4.470 -0.000 0.000 0.302 469 S C -0.806 173.940 174.600 0.243 0.000 1.082 469 S CA -0.863 57.431 58.200 0.156 0.000 1.009 469 S CB 1.323 64.576 63.200 0.087 0.000 1.069 469 S HN 0.498 nan 8.310 nan 0.000 0.500 470 Y N -1.923 118.456 120.300 0.133 0.000 2.552 470 Y HA 0.756 5.306 4.550 -0.000 0.000 0.337 470 Y C -1.481 174.480 175.900 0.100 0.000 1.094 470 Y CA -1.437 56.729 58.100 0.110 0.000 1.028 470 Y CB 0.365 38.894 38.460 0.116 0.000 1.321 470 Y HN 0.336 nan 8.280 nan 0.000 0.456 471 V N 2.630 122.659 119.914 0.192 0.000 2.439 471 V HA 0.464 4.583 4.120 -0.000 0.000 0.282 471 V C -0.098 176.103 176.094 0.179 0.000 1.039 471 V CA -0.406 61.956 62.300 0.103 0.000 0.913 471 V CB 1.363 33.241 31.823 0.091 0.000 0.983 471 V HN 0.832 nan 8.190 nan 0.000 0.460 472 S N 3.272 119.034 115.700 0.102 0.000 2.448 472 S HA 0.330 4.800 4.470 -0.000 0.000 0.320 472 S C -0.740 173.915 174.600 0.091 0.000 1.071 472 S CA -0.643 57.634 58.200 0.129 0.000 1.113 472 S CB 0.511 63.758 63.200 0.078 0.000 0.972 472 S HN 0.826 nan 8.310 nan 0.000 0.465 473 D N 5.442 125.912 120.400 0.116 0.000 2.392 473 D HA 0.458 5.098 4.640 -0.000 0.000 0.228 473 D C -1.829 174.518 176.300 0.078 0.000 1.074 473 D CA -2.296 51.772 54.000 0.113 0.000 0.838 473 D CB 1.874 42.778 40.800 0.174 0.000 1.067 473 D HN 0.227 nan 8.370 nan 0.000 0.511 474 P HA -0.009 nan 4.420 nan 0.000 0.228 474 P C 0.739 177.942 177.300 -0.162 0.000 1.151 474 P CA 0.584 63.675 63.100 -0.015 0.000 0.770 474 P CB 0.294 32.062 31.700 0.115 0.000 0.786 475 A N -1.406 121.322 122.820 -0.154 0.000 2.119 475 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 475 A C 0.446 177.720 177.584 -0.517 0.000 1.152 475 A CA 0.913 52.742 52.037 -0.347 0.000 0.708 475 A CB -0.983 17.818 19.000 -0.331 0.000 0.805 475 A HN 0.270 nan 8.150 nan 0.000 0.460 476 H N -0.243 118.815 119.070 -0.019 0.000 2.379 476 H HA 0.277 4.833 4.556 -0.000 0.000 0.229 476 H C -2.760 172.616 175.328 0.080 0.000 1.423 476 H CA -1.696 54.388 56.048 0.061 0.000 1.375 476 H CB 0.578 30.385 29.762 0.075 0.000 1.592 476 H HN 0.289 nan 8.280 nan 0.000 0.507 477 P HA 0.011 nan 4.420 nan 0.000 0.274 477 P C 0.098 177.587 177.300 0.314 0.000 1.237 477 P CA -0.358 62.802 63.100 0.100 0.000 0.793 477 P CB 1.618 33.199 31.700 -0.198 0.000 0.977 478 V N 3.492 123.588 119.914 0.303 0.000 2.470 478 V HA 0.131 4.250 4.120 -0.000 0.000 0.276 478 V C -1.948 174.420 176.094 0.456 0.000 1.040 478 V CA -1.473 61.021 62.300 0.323 0.000 1.008 478 V CB 0.078 32.050 31.823 0.249 0.000 0.990 478 V HN 0.546 nan 8.190 nan 0.000 0.477 479 P HA 0.058 nan 4.420 nan 0.000 0.267 479 P C 0.477 177.946 177.300 0.280 0.000 1.205 479 P CA -0.175 63.134 63.100 0.348 0.000 0.765 479 P CB 0.297 32.034 31.700 0.062 0.000 0.828 480 F N 4.679 124.637 119.950 0.014 0.000 2.325 480 F HA 0.114 4.641 4.527 -0.000 0.000 0.299 480 F C 0.600 176.282 175.800 -0.196 0.000 1.090 480 F CA 0.264 58.143 58.000 -0.202 0.000 1.392 480 F CB -0.663 37.800 39.000 -0.894 0.000 1.053 480 F HN 0.144 nan 8.300 nan 0.000 0.521 481 I N -3.161 116.853 120.570 -0.927 0.000 3.102 481 I HA 0.498 4.668 4.170 -0.000 0.000 0.310 481 I C -0.295 175.573 176.117 -0.415 0.000 1.246 481 I CA -1.450 59.449 61.300 -0.668 0.000 0.979 481 I CB 1.700 39.164 38.000 -0.893 0.000 1.267 481 I HN -0.289 nan 8.210 nan 0.000 0.451 482 S N 2.223 117.774 115.700 -0.248 0.000 2.563 482 S HA 0.138 4.608 4.470 -0.000 0.000 0.294 482 S C 0.217 174.732 174.600 -0.143 0.000 1.279 482 S CA -0.305 57.799 58.200 -0.160 0.000 1.069 482 S CB -0.072 63.061 63.200 -0.111 0.000 0.828 482 S HN 0.456 nan 8.310 nan 0.000 0.497 483 R N 2.926 123.347 120.500 -0.132 0.000 2.641 483 R HA 0.291 4.631 4.340 -0.000 0.000 0.269 483 R C -1.947 174.320 176.300 -0.055 0.000 1.074 483 R CA -1.156 54.886 56.100 -0.097 0.000 1.133 483 R CB -0.205 29.987 30.300 -0.179 0.000 1.029 483 R HN 0.452 nan 8.270 nan 0.000 0.488 484 P HA 0.252 nan 4.420 nan 0.000 0.282 484 P C -1.335 176.009 177.300 0.073 0.000 1.259 484 P CA -0.307 62.802 63.100 0.014 0.000 0.826 484 P CB 0.774 32.477 31.700 0.006 0.000 1.064 485 F N 0.568 120.459 119.950 -0.098 0.000 2.581 485 F HA 0.639 5.165 4.527 -0.000 0.000 0.311 485 F C -1.731 173.963 175.800 -0.177 0.000 1.113 485 F CA -0.619 57.289 58.000 -0.153 0.000 0.935 485 F CB 1.810 40.665 39.000 -0.242 0.000 1.232 485 F HN 0.551 nan 8.300 nan 0.000 0.445 486 A N 5.034 127.123 122.820 -1.218 0.000 2.365 486 A HA 0.564 4.884 4.320 -0.000 0.000 0.318 486 A C -0.429 176.237 177.584 -1.530 0.000 1.091 486 A CA -0.621 50.806 52.037 -1.017 0.000 0.763 486 A CB 0.542 19.284 19.000 -0.430 0.000 1.248 486 A HN 0.860 nan 8.150 nan 0.000 0.442 487 F N 1.356 120.812 119.950 -0.824 0.000 2.408 487 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 487 F C 2.484 178.059 175.800 -0.376 0.000 1.090 487 F CA 1.627 59.282 58.000 -0.576 0.000 1.427 487 F CB 0.096 38.845 39.000 -0.419 0.000 1.070 487 F HN 0.651 nan 8.300 nan 0.000 0.549 488 A N -0.622 122.103 122.820 -0.160 0.000 2.066 488 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 488 A C 1.255 178.799 177.584 -0.065 0.000 1.157 488 A CA 0.397 52.384 52.037 -0.083 0.000 0.670 488 A CB -0.543 18.416 19.000 -0.068 0.000 0.804 488 A HN 0.338 nan 8.150 nan 0.000 0.453 489 Q N 0.913 120.637 119.800 -0.127 0.000 2.513 489 Q HA 0.206 4.546 4.340 -0.000 0.000 0.227 489 Q C 0.705 176.799 176.000 0.157 0.000 1.257 489 Q CA -0.245 55.552 55.803 -0.010 0.000 0.915 489 Q CB 0.282 28.996 28.738 -0.040 0.000 1.507 489 Q HN 0.518 nan 8.270 nan 0.000 0.543 490 S N 0.496 116.284 115.700 0.147 0.000 2.382 490 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 490 S C 1.994 176.730 174.600 0.227 0.000 1.027 490 S CA 1.448 59.787 58.200 0.233 0.000 0.991 490 S CB -0.020 63.267 63.200 0.144 0.000 0.823 490 S HN 0.761 nan 8.310 nan 0.000 0.469 491 S N 1.765 117.549 115.700 0.141 0.000 2.442 491 S HA -0.029 4.441 4.470 -0.000 0.000 0.236 491 S C 1.628 176.307 174.600 0.132 0.000 1.007 491 S CA 0.651 58.914 58.200 0.104 0.000 0.965 491 S CB -0.240 62.995 63.200 0.058 0.000 0.773 491 S HN 0.469 nan 8.310 nan 0.000 0.504 492 R N -1.071 119.558 120.500 0.214 0.000 2.254 492 R HA 0.199 4.539 4.340 -0.000 0.000 0.193 492 R C 1.964 178.447 176.300 0.305 0.000 0.929 492 R CA 0.361 56.593 56.100 0.219 0.000 1.038 492 R CB -0.207 30.241 30.300 0.245 0.000 1.009 492 R HN 0.650 nan 8.270 nan 0.000 0.512 493 W N 2.805 124.260 121.300 0.257 0.000 2.407 493 W HA -0.100 4.560 4.660 -0.000 0.000 0.305 493 W C 1.066 177.761 176.519 0.295 0.000 1.196 493 W CA 1.098 58.622 57.345 0.298 0.000 1.311 493 W CB 0.057 29.727 29.460 0.349 0.000 1.135 493 W HN -0.090 nan 8.180 nan 0.000 0.514 494 K N 0.141 120.618 120.400 0.129 0.000 2.034 494 K HA -0.203 4.117 4.320 -0.000 0.000 0.214 494 K C -0.971 175.552 176.600 -0.128 0.000 1.051 494 K CA 2.199 58.460 56.287 -0.044 0.000 0.931 494 K CB -1.555 30.983 32.500 0.063 0.000 0.715 494 K HN 0.160 nan 8.250 nan 0.000 0.446 495 P HA -0.039 nan 4.420 nan 0.000 0.259 495 P C 0.355 177.550 177.300 -0.175 0.000 1.530 495 P CA -0.075 62.939 63.100 -0.144 0.000 1.022 495 P CB -0.537 31.103 31.700 -0.101 0.000 1.514 496 W N 0.239 121.367 121.300 -0.287 0.000 2.392 496 W HA -0.086 4.574 4.660 -0.000 0.000 0.279 496 W C 0.413 176.803 176.519 -0.215 0.000 1.225 496 W CA 0.183 57.356 57.345 -0.286 0.000 1.233 496 W CB -1.353 27.901 29.460 -0.343 0.000 1.122 496 W HN -0.133 nan 8.180 nan 0.000 0.561 497 L N 2.012 122.638 121.223 -0.995 0.000 2.551 497 L HA -0.113 4.227 4.340 -0.000 0.000 0.228 497 L C 2.109 178.694 176.870 -0.475 0.000 1.153 497 L CA 0.815 55.105 54.840 -0.917 0.000 0.851 497 L CB -0.367 41.281 42.059 -0.684 0.000 0.959 497 L HN -0.009 nan 8.230 nan 0.000 0.451 498 V N -5.132 114.486 119.914 -0.493 0.000 3.427 498 V HA 0.194 4.314 4.120 -0.000 0.000 0.305 498 V C 0.861 176.892 176.094 -0.106 0.000 1.412 498 V CA -0.465 61.550 62.300 -0.475 0.000 1.086 498 V CB -0.189 31.130 31.823 -0.840 0.000 0.964 498 V HN 0.118 nan 8.190 nan 0.000 0.439 499 Q N 1.887 121.650 119.800 -0.061 0.000 2.392 499 Q HA 0.213 4.552 4.340 -0.000 0.000 0.262 499 Q C -0.228 175.742 176.000 -0.051 0.000 1.003 499 Q CA 0.242 56.054 55.803 0.015 0.000 0.888 499 Q CB 0.803 29.538 28.738 -0.005 0.000 1.260 499 Q HN 0.533 nan 8.270 nan 0.000 0.435 500 D N 1.507 121.729 120.400 -0.295 0.000 2.458 500 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 500 D C 0.117 176.256 176.300 -0.269 0.000 1.146 500 D CA 0.239 53.827 54.000 -0.685 0.000 0.877 500 D CB 0.729 40.965 40.800 -0.940 0.000 1.176 500 D HN 0.181 nan 8.370 nan 0.000 0.461 501 Q N 3.391 123.084 119.800 -0.177 0.000 2.212 501 Q HA 0.105 4.445 4.340 -0.000 0.000 0.213 501 Q C 1.339 177.305 176.000 -0.057 0.000 0.874 501 Q CA -0.062 55.717 55.803 -0.041 0.000 0.965 501 Q CB 0.261 29.024 28.738 0.042 0.000 1.074 501 Q HN 0.498 nan 8.270 nan 0.000 0.473 502 R N 0.630 121.059 120.500 -0.117 0.000 2.092 502 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 502 R C 1.969 178.231 176.300 -0.064 0.000 1.119 502 R CA 1.088 57.133 56.100 -0.091 0.000 0.970 502 R CB 0.157 30.388 30.300 -0.115 0.000 0.864 502 R HN 0.372 nan 8.270 nan 0.000 0.440 503 E N 0.566 120.729 120.200 -0.061 0.000 2.085 503 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 503 E C 1.824 178.412 176.600 -0.019 0.000 0.994 503 E CA 1.345 57.720 56.400 -0.041 0.000 0.801 503 E CB -0.027 29.649 29.700 -0.041 0.000 0.743 503 E HN 0.360 nan 8.360 nan 0.000 0.453 504 A N 1.152 123.973 122.820 0.002 0.000 1.930 504 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 504 A C 2.051 179.625 177.584 -0.016 0.000 1.175 504 A CA 1.580 53.628 52.037 0.019 0.000 0.627 504 A CB -0.564 18.473 19.000 0.061 0.000 0.815 504 A HN 0.459 nan 8.150 nan 0.000 0.443 505 E N 0.551 120.734 120.200 -0.028 0.000 2.153 505 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 505 E C 1.970 178.533 176.600 -0.061 0.000 0.988 505 E CA 1.492 57.862 56.400 -0.051 0.000 0.811 505 E CB -0.109 29.560 29.700 -0.051 0.000 0.746 505 E HN 0.730 nan 8.360 nan 0.000 0.466 506 S N -0.177 115.493 115.700 -0.050 0.000 2.561 506 S HA 0.015 4.485 4.470 -0.000 0.000 0.225 506 S C 0.776 175.351 174.600 -0.042 0.000 0.977 506 S CA -0.150 58.020 58.200 -0.050 0.000 0.926 506 S CB -0.088 63.086 63.200 -0.043 0.000 0.769 506 S HN 0.092 nan 8.310 nan 0.000 0.533 507 R N 1.809 122.288 120.500 -0.035 0.000 2.457 507 R HA 0.352 4.692 4.340 -0.000 0.000 0.284 507 R C -1.862 174.424 176.300 -0.024 0.000 1.024 507 R CA -2.083 54.005 56.100 -0.021 0.000 1.025 507 R CB 0.432 30.731 30.300 -0.002 0.000 1.063 507 R HN 0.120 nan 8.270 nan 0.000 0.493 508 P HA -0.070 nan 4.420 nan 0.000 0.236 508 P C -0.287 177.055 177.300 0.070 0.000 1.177 508 P CA 0.856 63.971 63.100 0.024 0.000 0.773 508 P CB 0.197 31.917 31.700 0.032 0.000 0.878 509 D N -0.576 119.860 120.400 0.059 0.000 2.395 509 D HA 0.116 4.756 4.640 -0.000 0.000 0.226 509 D C -0.032 176.189 176.300 -0.132 0.000 1.146 509 D CA -0.664 53.405 54.000 0.115 0.000 0.830 509 D CB -0.371 40.524 40.800 0.159 0.000 0.958 509 D HN -0.043 nan 8.370 nan 0.000 0.501 510 V N 0.463 120.246 119.914 -0.218 0.000 2.686 510 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 510 V C -0.295 175.631 176.094 -0.280 0.000 1.065 510 V CA -1.245 60.857 62.300 -0.331 0.000 0.894 510 V CB 2.290 34.025 31.823 -0.147 0.000 1.004 510 V HN 0.163 nan 8.190 nan 0.000 0.424 511 V N 1.185 120.914 119.914 -0.307 0.000 2.417 511 V HA 0.818 4.938 4.120 -0.000 0.000 0.291 511 V C -0.129 175.934 176.094 -0.052 0.000 1.024 511 V CA -0.171 62.066 62.300 -0.105 0.000 0.861 511 V CB 1.376 33.250 31.823 0.085 0.000 0.985 511 V HN 0.820 nan 8.190 nan 0.000 0.436 512 T N 5.295 119.762 114.554 -0.145 0.000 2.807 512 T HA 0.735 5.085 4.350 -0.000 0.000 0.279 512 T C -1.190 173.396 174.700 -0.190 0.000 0.993 512 T CA -0.105 61.946 62.100 -0.082 0.000 0.970 512 T CB 1.079 69.894 68.868 -0.088 0.000 0.950 512 T HN 0.663 nan 8.240 nan 0.000 0.441 513 Y N 1.416 121.748 120.300 0.053 0.000 2.499 513 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 513 Y C 0.359 176.255 175.900 -0.007 0.000 0.987 513 Y CA -1.146 56.977 58.100 0.038 0.000 1.044 513 Y CB 1.849 40.304 38.460 -0.009 0.000 1.245 513 Y HN 0.705 nan 8.280 nan 0.000 0.461 514 E N -0.687 119.590 120.200 0.128 0.000 2.413 514 E HA 0.587 4.936 4.350 -0.000 0.000 0.277 514 E C -1.292 175.317 176.600 0.016 0.000 0.958 514 E CA -1.209 55.221 56.400 0.049 0.000 0.779 514 E CB 2.023 31.744 29.700 0.035 0.000 1.278 514 E HN 0.524 nan 8.360 nan 0.000 0.456 515 T N -0.723 113.819 114.554 -0.020 0.000 2.847 515 T HA 0.283 4.633 4.350 -0.000 0.000 0.279 515 T C 0.362 175.067 174.700 0.008 0.000 0.984 515 T CA -0.892 61.191 62.100 -0.030 0.000 0.988 515 T CB 1.009 69.840 68.868 -0.062 0.000 1.040 515 T HN 0.430 nan 8.240 nan 0.000 0.528 516 E N 0.347 120.558 120.200 0.018 0.000 2.391 516 E HA 0.178 4.528 4.350 -0.000 0.000 0.255 516 E C 0.292 176.919 176.600 0.046 0.000 1.187 516 E CA -0.407 56.012 56.400 0.031 0.000 0.941 516 E CB 0.973 30.694 29.700 0.034 0.000 1.010 516 E HN 0.634 nan 8.360 nan 0.000 0.458 517 V N 2.281 122.225 119.914 0.049 0.000 2.540 517 V HA -0.009 4.111 4.120 -0.000 0.000 0.297 517 V C 0.189 176.331 176.094 0.080 0.000 1.024 517 V CA -0.131 62.210 62.300 0.068 0.000 1.105 517 V CB -0.418 31.440 31.823 0.058 0.000 0.938 517 V HN 0.407 nan 8.190 nan 0.000 0.482 518 L N 6.244 127.533 121.223 0.109 0.000 2.499 518 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 518 L C 1.084 178.011 176.870 0.096 0.000 1.195 518 L CA 0.000 54.908 54.840 0.112 0.000 0.882 518 L CB 0.179 42.325 42.059 0.146 0.000 1.133 518 L HN 0.710 nan 8.230 nan 0.000 0.483 519 D N 0.892 121.339 120.400 0.078 0.000 2.327 519 D HA 0.042 4.682 4.640 -0.000 0.000 0.205 519 D C 0.296 176.629 176.300 0.056 0.000 0.989 519 D CA 0.944 54.980 54.000 0.061 0.000 0.873 519 D CB 0.619 41.449 40.800 0.049 0.000 0.955 519 D HN 0.456 nan 8.370 nan 0.000 0.515 520 E N 0.779 121.015 120.200 0.060 0.000 2.292 520 E HA 0.303 4.652 4.350 -0.000 0.000 0.272 520 E C -2.514 174.122 176.600 0.060 0.000 0.881 520 E CA -1.925 54.503 56.400 0.047 0.000 0.754 520 E CB 2.675 32.392 29.700 0.029 0.000 1.201 520 E HN -0.056 nan 8.360 nan 0.000 0.425 521 P HA 0.084 nan 4.420 nan 0.000 0.271 521 P C -0.220 177.121 177.300 0.069 0.000 1.218 521 P CA -0.370 62.762 63.100 0.053 0.000 0.780 521 P CB 0.753 32.456 31.700 0.005 0.000 0.901 522 V N 2.014 122.014 119.914 0.143 0.000 2.409 522 V HA 0.536 4.655 4.120 -0.000 0.000 0.291 522 V C -0.196 176.020 176.094 0.204 0.000 1.020 522 V CA -0.933 61.461 62.300 0.156 0.000 0.848 522 V CB 1.369 33.306 31.823 0.190 0.000 0.990 522 V HN 0.363 nan 8.190 nan 0.000 0.430 523 R N 4.009 124.570 120.500 0.102 0.000 2.404 523 R HA 0.799 5.139 4.340 -0.000 0.000 0.291 523 R C -0.676 175.693 176.300 0.114 0.000 1.025 523 R CA -0.524 55.619 56.100 0.072 0.000 0.991 523 R CB 1.970 32.286 30.300 0.027 0.000 1.053 523 R HN 0.943 nan 8.270 nan 0.000 0.479 524 V N -1.462 118.526 119.914 0.122 0.000 2.709 524 V HA 0.709 4.829 4.120 -0.000 0.000 0.308 524 V C -0.641 175.506 176.094 0.088 0.000 1.062 524 V CA -0.642 61.735 62.300 0.129 0.000 0.901 524 V CB 2.042 34.006 31.823 0.235 0.000 1.003 524 V HN 0.705 nan 8.190 nan 0.000 0.425 525 S N 2.562 118.296 115.700 0.057 0.000 2.680 525 S HA 0.884 5.354 4.470 -0.000 0.000 0.262 525 S C -0.161 174.430 174.600 -0.016 0.000 1.138 525 S CA 0.678 58.940 58.200 0.102 0.000 1.072 525 S CB 0.583 63.843 63.200 0.101 0.000 1.097 525 S HN 2.556 nan 8.310 nan 0.000 0.468 526 G N 1.494 110.315 108.800 0.035 0.000 2.339 526 G HA2 0.290 4.249 3.960 -0.000 0.000 0.275 526 G HA3 0.290 4.249 3.960 -0.000 0.000 0.275 526 G C -1.060 173.776 174.900 -0.107 0.000 1.323 526 G CA -0.025 44.912 45.100 -0.272 0.000 0.927 526 G HN 1.752 nan 8.290 nan 0.000 0.486 527 V N -0.006 119.804 119.914 -0.173 0.000 2.347 527 V HA 0.784 4.904 4.120 -0.000 0.000 0.280 527 V C -2.337 173.712 176.094 -0.075 0.000 1.021 527 V CA -1.775 60.473 62.300 -0.086 0.000 0.847 527 V CB 1.185 32.950 31.823 -0.097 0.000 0.990 527 V HN 0.629 nan 8.190 nan 0.000 0.444 528 P HA 0.420 nan 4.420 nan 0.000 0.274 528 P C -0.921 176.315 177.300 -0.107 0.000 1.237 528 P CA -0.244 62.819 63.100 -0.062 0.000 0.793 528 P CB 1.104 32.787 31.700 -0.028 0.000 0.977 529 V N 0.778 120.584 119.914 -0.180 0.000 2.525 529 V HA 0.547 4.667 4.120 -0.000 0.000 0.299 529 V C 0.051 175.877 176.094 -0.447 0.000 1.034 529 V CA -1.047 61.059 62.300 -0.324 0.000 0.863 529 V CB 1.398 33.014 31.823 -0.344 0.000 0.999 529 V HN 0.678 nan 8.190 nan 0.000 0.423 530 A N 2.805 125.220 122.820 -0.676 0.000 2.404 530 A HA 0.533 4.853 4.320 -0.000 0.000 0.273 530 A C -0.155 177.016 177.584 -0.688 0.000 1.144 530 A CA 0.043 51.641 52.037 -0.733 0.000 0.806 530 A CB 0.045 18.349 19.000 -1.159 0.000 1.080 530 A HN 0.842 nan 8.150 nan 0.000 0.509 531 D N 2.567 122.743 120.400 -0.373 0.000 2.458 531 D HA 0.425 5.065 4.640 -0.000 0.000 0.258 531 D C -1.124 175.081 176.300 -0.157 0.000 1.134 531 D CA -0.101 53.804 54.000 -0.159 0.000 0.915 531 D CB 0.469 41.294 40.800 0.043 0.000 1.028 531 D HN 0.346 nan 8.370 nan 0.000 0.508 532 L N 3.383 124.469 121.223 -0.228 0.000 2.295 532 L HA 0.611 4.951 4.340 -0.000 0.000 0.285 532 L C -1.500 175.217 176.870 -0.254 0.000 1.035 532 L CA -0.393 54.341 54.840 -0.176 0.000 0.806 532 L CB 0.765 42.716 42.059 -0.180 0.000 1.214 532 L HN 0.121 nan 8.230 nan 0.000 0.426 533 F N 5.285 125.257 119.950 0.036 0.000 2.359 533 F HA 0.745 5.271 4.527 -0.000 0.000 0.369 533 F C 0.267 176.053 175.800 -0.024 0.000 1.084 533 F CA -0.264 57.751 58.000 0.026 0.000 1.096 533 F CB 1.322 40.315 39.000 -0.010 0.000 1.335 533 F HN 0.635 nan 8.300 nan 0.000 0.457 534 A N 2.032 124.871 122.820 0.032 0.000 2.435 534 A HA 0.972 5.292 4.320 -0.000 0.000 0.304 534 A C -1.308 176.290 177.584 0.022 0.000 1.064 534 A CA -0.658 51.281 52.037 -0.164 0.000 0.727 534 A CB 1.404 19.831 19.000 -0.955 0.000 1.284 534 A HN 0.755 nan 8.150 nan 0.000 0.415 535 A N 0.350 123.233 122.820 0.104 0.000 2.401 535 A HA 0.906 5.226 4.320 -0.000 0.000 0.310 535 A C -0.330 177.436 177.584 0.303 0.000 1.075 535 A CA -0.226 51.933 52.037 0.204 0.000 0.746 535 A CB 1.691 20.772 19.000 0.134 0.000 1.277 535 A HN 1.525 nan 8.150 nan 0.000 0.425 536 T N -0.489 114.242 114.554 0.296 0.000 2.893 536 T HA 0.461 4.811 4.350 -0.000 0.000 0.293 536 T C 1.035 175.812 174.700 0.128 0.000 1.027 536 T CA 0.267 62.502 62.100 0.225 0.000 0.988 536 T CB 1.242 70.250 68.868 0.232 0.000 1.043 536 T HN 1.340 nan 8.240 nan 0.000 0.461 537 S N 2.284 118.029 115.700 0.076 0.000 2.561 537 S HA 0.254 4.723 4.470 -0.000 0.000 0.225 537 S C 1.185 175.817 174.600 0.052 0.000 0.977 537 S CA 0.162 58.395 58.200 0.056 0.000 0.926 537 S CB -0.277 62.946 63.200 0.038 0.000 0.769 537 S HN 0.900 nan 8.310 nan 0.000 0.533 538 G N 1.117 109.949 108.800 0.054 0.000 2.510 538 G HA2 0.436 4.396 3.960 -0.000 0.000 0.280 538 G HA3 0.436 4.396 3.960 -0.000 0.000 0.280 538 G C 0.423 175.364 174.900 0.067 0.000 1.386 538 G CA 0.115 45.243 45.100 0.048 0.000 1.047 538 G HN 0.394 nan 8.290 nan 0.000 0.527 539 T N -2.675 111.922 114.554 0.072 0.000 3.132 539 T HA 0.359 4.709 4.350 -0.000 0.000 0.274 539 T C -0.313 174.468 174.700 0.135 0.000 1.011 539 T CA -0.095 62.060 62.100 0.092 0.000 0.899 539 T CB 0.374 69.296 68.868 0.091 0.000 1.089 539 T HN 0.425 nan 8.240 nan 0.000 0.543 540 D N -0.407 120.058 120.400 0.108 0.000 2.694 540 D HA 0.637 5.277 4.640 -0.000 0.000 0.260 540 D C -1.599 174.704 176.300 0.004 0.000 1.250 540 D CA -0.157 53.906 54.000 0.104 0.000 0.763 540 D CB 2.036 42.902 40.800 0.109 0.000 1.311 540 D HN 0.018 nan 8.370 nan 0.000 0.420 541 S N 0.228 115.890 115.700 -0.063 0.000 2.614 541 S HA 0.371 4.841 4.470 -0.000 0.000 0.280 541 S C -2.144 172.189 174.600 -0.445 0.000 1.111 541 S CA -0.771 57.233 58.200 -0.326 0.000 0.847 541 S CB 1.303 64.158 63.200 -0.575 0.000 1.079 541 S HN 0.381 nan 8.310 nan 0.000 0.452 542 D N 0.631 120.695 120.400 -0.559 0.000 2.198 542 D HA 0.576 5.215 4.640 -0.000 0.000 0.247 542 D C -1.293 174.586 176.300 -0.700 0.000 1.010 542 D CA -0.023 53.728 54.000 -0.415 0.000 0.880 542 D CB 0.970 41.662 40.800 -0.180 0.000 1.209 542 D HN 0.420 nan 8.370 nan 0.000 0.451 543 W N 1.145 122.405 121.300 -0.066 0.000 2.554 543 W HA 0.477 5.137 4.660 -0.000 0.000 0.324 543 W C -0.852 175.624 176.519 -0.071 0.000 1.018 543 W CA -0.910 56.389 57.345 -0.076 0.000 1.243 543 W CB 1.367 30.718 29.460 -0.182 0.000 1.345 543 W HN -0.067 nan 8.180 nan 0.000 0.441 544 V N 4.735 124.696 119.914 0.078 0.000 2.370 544 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 544 V C -0.273 175.800 176.094 -0.036 0.000 1.023 544 V CA -0.926 61.279 62.300 -0.159 0.000 0.857 544 V CB 1.224 32.689 31.823 -0.598 0.000 0.985 544 V HN 0.305 nan 8.190 nan 0.000 0.443 545 V N 5.600 125.548 119.914 0.058 0.000 2.540 545 V HA 0.547 4.666 4.120 -0.000 0.000 0.302 545 V C -0.260 175.879 176.094 0.074 0.000 1.035 545 V CA -0.944 61.407 62.300 0.085 0.000 0.873 545 V CB 1.981 33.880 31.823 0.127 0.000 0.992 545 V HN 0.852 nan 8.190 nan 0.000 0.428 546 K N 4.236 124.675 120.400 0.066 0.000 2.345 546 K HA 0.665 4.985 4.320 -0.000 0.000 0.255 546 K C -1.419 175.243 176.600 0.104 0.000 0.934 546 K CA -0.841 55.515 56.287 0.115 0.000 0.801 546 K CB 2.655 35.230 32.500 0.126 0.000 1.137 546 K HN 0.439 nan 8.250 nan 0.000 0.424 547 L N 4.664 125.961 121.223 0.123 0.000 2.287 547 L HA 0.535 4.875 4.340 -0.000 0.000 0.287 547 L C -1.275 175.699 176.870 0.173 0.000 1.022 547 L CA -0.285 54.627 54.840 0.120 0.000 0.814 547 L CB 0.684 42.812 42.059 0.116 0.000 1.217 547 L HN 0.600 nan 8.230 nan 0.000 0.420 548 I N 3.873 124.555 120.570 0.187 0.000 2.608 548 I HA 0.343 4.513 4.170 -0.000 0.000 0.295 548 I C -1.080 175.243 176.117 0.342 0.000 1.049 548 I CA -0.721 60.715 61.300 0.226 0.000 1.063 548 I CB 2.170 40.269 38.000 0.164 0.000 1.248 548 I HN 0.507 nan 8.210 nan 0.000 0.424 549 D N 5.681 126.311 120.400 0.384 0.000 2.373 549 D HA 0.289 4.929 4.640 -0.000 0.000 0.227 549 D C -0.879 175.656 176.300 0.392 0.000 1.091 549 D CA -0.247 54.074 54.000 0.534 0.000 0.840 549 D CB 1.486 42.537 40.800 0.418 0.000 1.060 549 D HN 0.070 nan 8.370 nan 0.000 0.502 550 V N 5.215 125.332 119.914 0.339 0.000 2.432 550 V HA 0.136 4.256 4.120 -0.000 0.000 0.271 550 V C 0.783 176.969 176.094 0.152 0.000 1.046 550 V CA -0.772 61.654 62.300 0.210 0.000 0.945 550 V CB 1.042 32.945 31.823 0.133 0.000 0.992 550 V HN 0.501 nan 8.190 nan 0.000 0.471 551 Q N 5.283 125.122 119.800 0.065 0.000 2.535 551 Q HA 0.248 4.588 4.340 -0.000 0.000 0.228 551 Q C -2.253 173.578 176.000 -0.282 0.000 1.062 551 Q CA -1.873 53.797 55.803 -0.222 0.000 0.967 551 Q CB -0.118 28.593 28.738 -0.046 0.000 1.273 551 Q HN 0.435 nan 8.270 nan 0.000 0.554 552 P HA -0.033 nan 4.420 nan 0.000 0.266 552 P C 0.006 177.256 177.300 -0.083 0.000 1.195 552 P CA 0.438 63.421 63.100 -0.196 0.000 0.768 552 P CB 0.428 32.036 31.700 -0.154 0.000 0.838 553 A N 3.698 126.494 122.820 -0.040 0.000 1.940 553 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 553 A C 0.958 178.534 177.584 -0.014 0.000 1.190 553 A CA 1.880 53.906 52.037 -0.017 0.000 0.647 553 A CB -0.709 18.286 19.000 -0.007 0.000 0.821 553 A HN 0.501 nan 8.150 nan 0.000 0.457 554 M N -0.582 119.008 119.600 -0.018 0.000 2.395 554 M HA 0.342 4.822 4.480 -0.000 0.000 0.307 554 M C -0.788 175.501 176.300 -0.019 0.000 1.091 554 M CA -0.074 55.219 55.300 -0.012 0.000 0.919 554 M CB 1.711 34.306 32.600 -0.007 0.000 1.662 554 M HN 0.285 nan 8.290 nan 0.000 0.440 555 T N -0.962 113.583 114.554 -0.016 0.000 3.226 555 T HA 0.416 4.766 4.350 -0.000 0.000 0.378 555 T C -2.107 172.585 174.700 -0.014 0.000 1.380 555 T CA -1.353 60.736 62.100 -0.019 0.000 1.396 555 T CB 0.657 69.508 68.868 -0.028 0.000 1.044 555 T HN 0.372 nan 8.240 nan 0.000 0.586 556 P HA -0.041 nan 4.420 nan 0.000 0.220 556 P C 0.524 177.818 177.300 -0.010 0.000 1.148 556 P CA 0.964 64.059 63.100 -0.008 0.000 0.803 556 P CB 0.240 31.938 31.700 -0.004 0.000 0.782 557 D N -0.757 119.637 120.400 -0.011 0.000 2.347 557 D HA -0.018 4.621 4.640 -0.000 0.000 0.215 557 D C 0.245 176.532 176.300 -0.022 0.000 0.976 557 D CA 1.133 55.125 54.000 -0.013 0.000 0.884 557 D CB -0.202 40.592 40.800 -0.010 0.000 0.915 557 D HN 0.194 nan 8.370 nan 0.000 0.526 558 D N -1.443 118.941 120.400 -0.026 0.000 2.826 558 D HA 0.111 4.751 4.640 -0.000 0.000 0.239 558 D C -2.136 174.146 176.300 -0.029 0.000 1.329 558 D CA -1.425 52.553 54.000 -0.036 0.000 0.854 558 D CB 1.067 41.834 40.800 -0.056 0.000 1.494 558 D HN -0.247 nan 8.370 nan 0.000 0.540 559 P HA -0.218 nan 4.420 nan 0.000 0.216 559 P C 1.200 178.500 177.300 -0.000 0.000 1.154 559 P CA 1.574 64.668 63.100 -0.009 0.000 0.865 559 P CB 0.064 31.759 31.700 -0.008 0.000 0.789 560 K N -1.286 119.113 120.400 -0.001 0.000 2.519 560 K HA -0.045 4.275 4.320 -0.000 0.000 0.196 560 K C 1.283 177.920 176.600 0.062 0.000 1.041 560 K CA 1.109 57.409 56.287 0.023 0.000 0.954 560 K CB -0.482 32.026 32.500 0.013 0.000 0.774 560 K HN 0.082 nan 8.250 nan 0.000 0.480 561 M N 1.377 120.987 119.600 0.017 0.000 2.428 561 M HA 0.138 4.618 4.480 -0.000 0.000 0.239 561 M C 0.604 176.947 176.300 0.072 0.000 1.121 561 M CA 0.054 55.366 55.300 0.021 0.000 1.019 561 M CB 0.114 32.651 32.600 -0.105 0.000 1.485 561 M HN 0.206 nan 8.290 nan 0.000 0.484 562 G N 0.376 109.204 108.800 0.047 0.000 2.298 562 G HA2 0.327 4.287 3.960 -0.000 0.000 0.263 562 G HA3 0.327 4.287 3.960 -0.000 0.000 0.263 562 G C 1.105 176.033 174.900 0.048 0.000 1.229 562 G CA 0.432 45.549 45.100 0.028 0.000 0.976 562 G HN 0.696 nan 8.290 nan 0.000 0.459 563 G N 1.678 110.499 108.800 0.035 0.000 2.155 563 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 563 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 563 G C 0.447 175.393 174.900 0.078 0.000 0.983 563 G CA 0.620 45.742 45.100 0.037 0.000 0.676 563 G HN 1.088 nan 8.290 nan 0.000 0.528 564 Y N 1.518 121.808 120.300 -0.017 0.000 2.717 564 Y HA 0.331 4.881 4.550 -0.000 0.000 0.330 564 Y C 0.857 176.771 175.900 0.023 0.000 1.217 564 Y CA 0.601 58.698 58.100 -0.005 0.000 1.506 564 Y CB 0.484 38.935 38.460 -0.015 0.000 1.268 564 Y HN 0.334 nan 8.280 nan 0.000 0.561 565 E N 6.852 127.002 120.200 -0.084 0.000 1.998 565 E HA 0.131 4.481 4.350 -0.000 0.000 0.257 565 E C -1.259 175.400 176.600 0.098 0.000 1.038 565 E CA -0.569 55.848 56.400 0.028 0.000 0.869 565 E CB 0.368 30.050 29.700 -0.031 0.000 1.135 565 E HN 0.394 nan 8.360 nan 0.000 0.430 566 L N 4.864 126.275 121.223 0.313 0.000 2.325 566 L HA 0.300 4.640 4.340 -0.000 0.000 0.284 566 L C -2.555 174.455 176.870 0.233 0.000 1.089 566 L CA -2.108 52.930 54.840 0.330 0.000 0.836 566 L CB 0.290 42.542 42.059 0.321 0.000 1.184 566 L HN 0.136 nan 8.230 nan 0.000 0.444 567 P HA 0.071 nan 4.420 nan 0.000 0.276 567 P C 0.519 177.999 177.300 0.300 0.000 1.235 567 P CA -0.162 63.071 63.100 0.222 0.000 0.772 567 P CB 1.044 32.866 31.700 0.204 0.000 0.871 568 V N 0.462 120.491 119.914 0.192 0.000 3.431 568 V HA 0.277 4.397 4.120 -0.000 0.000 0.253 568 V C 0.519 176.623 176.094 0.016 0.000 1.184 568 V CA 0.597 62.939 62.300 0.070 0.000 1.104 568 V CB 0.058 31.762 31.823 -0.199 0.000 0.799 568 V HN 0.531 nan 8.190 nan 0.000 0.462 569 S N 1.235 116.996 115.700 0.102 0.000 2.605 569 S HA 0.765 5.235 4.470 -0.000 0.000 0.279 569 S C -0.962 173.747 174.600 0.183 0.000 1.166 569 S CA -0.649 57.614 58.200 0.105 0.000 0.975 569 S CB 1.116 64.356 63.200 0.066 0.000 1.111 569 S HN 0.608 nan 8.310 nan 0.000 0.465 570 M N 2.836 122.591 119.600 0.258 0.000 2.470 570 M HA 0.767 5.247 4.480 -0.000 0.000 0.285 570 M C -1.724 174.879 176.300 0.506 0.000 1.213 570 M CA -0.757 54.759 55.300 0.359 0.000 0.901 570 M CB 2.249 35.111 32.600 0.437 0.000 1.718 570 M HN 0.484 nan 8.290 nan 0.000 0.469 571 D N 0.718 121.416 120.400 0.497 0.000 2.671 571 D HA 0.645 5.285 4.640 -0.000 0.000 0.273 571 D C -2.028 174.524 176.300 0.420 0.000 1.264 571 D CA -0.389 53.985 54.000 0.624 0.000 0.788 571 D CB 3.118 44.308 40.800 0.650 0.000 1.324 571 D HN 0.845 nan 8.370 nan 0.000 0.424 572 I N 0.964 121.768 120.570 0.390 0.000 2.646 572 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 572 I C -1.532 174.637 176.117 0.086 0.000 1.036 572 I CA -0.897 60.465 61.300 0.104 0.000 1.074 572 I CB 1.657 39.592 38.000 -0.108 0.000 1.258 572 I HN 0.284 nan 8.210 nan 0.000 0.430 573 F N 6.662 126.462 119.950 -0.249 0.000 2.539 573 F HA 0.507 5.034 4.527 -0.000 0.000 0.318 573 F C -0.466 175.275 175.800 -0.097 0.000 1.135 573 F CA -0.749 57.037 58.000 -0.356 0.000 0.915 573 F CB 1.182 39.542 39.000 -1.066 0.000 1.176 573 F HN 0.402 nan 8.300 nan 0.000 0.440 574 R N 4.027 124.350 120.500 -0.296 0.000 2.242 574 R HA 0.310 4.650 4.340 -0.000 0.000 0.334 574 R C 1.293 177.672 176.300 0.130 0.000 1.071 574 R CA 0.575 56.661 56.100 -0.023 0.000 0.922 574 R CB 0.791 31.150 30.300 0.098 0.000 1.023 574 R HN 0.977 nan 8.270 nan 0.000 0.458 575 G N 5.000 113.977 108.800 0.294 0.000 2.503 575 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.221 575 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.221 575 G C 1.218 176.353 174.900 0.392 0.000 1.131 575 G CA 1.004 46.434 45.100 0.548 0.000 0.756 575 G HN 0.796 nan 8.290 nan 0.000 0.572 576 R N -0.620 119.934 120.500 0.090 0.000 2.293 576 R HA -0.037 4.302 4.340 -0.000 0.000 0.219 576 R C 1.062 177.281 176.300 -0.135 0.000 1.091 576 R CA 1.111 57.183 56.100 -0.047 0.000 1.004 576 R CB -0.535 29.681 30.300 -0.139 0.000 0.865 576 R HN 0.499 nan 8.270 nan 0.000 0.469 577 Y N 0.395 120.850 120.300 0.258 0.000 2.571 577 Y HA 0.297 4.847 4.550 -0.000 0.000 0.275 577 Y C 2.171 178.198 175.900 0.212 0.000 1.179 577 Y CA -0.680 57.543 58.100 0.206 0.000 1.242 577 Y CB 0.166 38.788 38.460 0.271 0.000 1.126 577 Y HN -0.026 nan 8.280 nan 0.000 0.524 578 R N 1.138 121.891 120.500 0.423 0.000 2.105 578 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 578 R C 1.439 177.736 176.300 -0.006 0.000 1.135 578 R CA 1.798 58.057 56.100 0.265 0.000 0.967 578 R CB 0.159 30.485 30.300 0.042 0.000 0.861 578 R HN 0.318 nan 8.270 nan 0.000 0.442 579 K N -1.447 118.941 120.400 -0.019 0.000 2.244 579 K HA 0.029 4.349 4.320 -0.000 0.000 0.200 579 K C -0.152 176.399 176.600 -0.083 0.000 1.052 579 K CA 0.461 56.707 56.287 -0.068 0.000 0.980 579 K CB 0.452 32.925 32.500 -0.046 0.000 0.838 579 K HN 0.000 nan 8.250 nan 0.000 0.481 580 D N -1.052 119.324 120.400 -0.040 0.000 2.891 580 D HA 0.109 4.749 4.640 -0.000 0.000 0.224 580 D C -0.052 176.308 176.300 0.100 0.000 1.321 580 D CA -0.510 53.475 54.000 -0.024 0.000 0.929 580 D CB 0.823 41.652 40.800 0.049 0.000 1.551 580 D HN -0.200 nan 8.370 nan 0.000 0.574 581 F N 2.024 122.100 119.950 0.211 0.000 2.333 581 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 581 F C 2.368 178.154 175.800 -0.023 0.000 1.083 581 F CA 1.152 59.196 58.000 0.072 0.000 1.395 581 F CB -0.365 38.547 39.000 -0.147 0.000 1.056 581 F HN 0.495 nan 8.300 nan 0.000 0.529 582 A N -1.422 121.531 122.820 0.221 0.000 2.147 582 A HA 0.080 4.400 4.320 -0.000 0.000 0.211 582 A C 0.983 178.669 177.584 0.170 0.000 1.160 582 A CA 0.455 52.568 52.037 0.125 0.000 0.781 582 A CB 0.041 19.091 19.000 0.082 0.000 0.842 582 A HN -0.052 nan 8.150 nan 0.000 0.475 583 K N 1.417 121.941 120.400 0.207 0.000 2.646 583 K HA 0.307 4.627 4.320 -0.000 0.000 0.210 583 K C -3.193 173.527 176.600 0.201 0.000 1.020 583 K CA -1.914 54.478 56.287 0.175 0.000 1.040 583 K CB 1.598 34.160 32.500 0.104 0.000 1.253 583 K HN 0.186 nan 8.250 nan 0.000 0.532 584 P HA 0.169 nan 4.420 nan 0.000 0.271 584 P C -0.596 176.786 177.300 0.135 0.000 1.216 584 P CA 0.034 63.236 63.100 0.170 0.000 0.776 584 P CB 1.250 33.034 31.700 0.140 0.000 0.881 585 E N 0.494 120.678 120.200 -0.027 0.000 2.331 585 E HA 0.536 4.886 4.350 -0.000 0.000 0.275 585 E C -0.678 175.581 176.600 -0.569 0.000 0.895 585 E CA -1.129 55.070 56.400 -0.335 0.000 0.753 585 E CB 2.449 32.041 29.700 -0.181 0.000 1.216 585 E HN 0.483 nan 8.360 nan 0.000 0.434 586 A N 2.993 125.173 122.820 -1.066 0.000 2.483 586 A HA 0.269 4.589 4.320 -0.000 0.000 0.238 586 A C -0.122 177.321 177.584 -0.236 0.000 1.070 586 A CA 0.000 51.601 52.037 -0.728 0.000 0.770 586 A CB 0.143 18.749 19.000 -0.657 0.000 1.008 586 A HN 0.536 nan 8.150 nan 0.000 0.497 587 L N 0.973 122.165 121.223 -0.052 0.000 2.375 587 L HA 0.277 4.616 4.340 -0.000 0.000 0.271 587 L C 0.551 177.432 176.870 0.019 0.000 1.107 587 L CA -0.630 54.233 54.840 0.038 0.000 0.806 587 L CB 0.916 43.074 42.059 0.165 0.000 1.146 587 L HN 0.806 nan 8.230 nan 0.000 0.447 588 Q N 3.929 123.742 119.800 0.023 0.000 2.293 588 Q HA 0.223 4.563 4.340 -0.000 0.000 0.263 588 Q C -2.364 173.666 176.000 0.050 0.000 1.002 588 Q CA -1.395 54.419 55.803 0.017 0.000 0.910 588 Q CB 0.887 29.629 28.738 0.007 0.000 1.185 588 Q HN 0.151 nan 8.270 nan 0.000 0.401 589 P HA -0.002 nan 4.420 nan 0.000 0.268 589 P C -0.721 176.612 177.300 0.055 0.000 1.205 589 P CA 0.219 63.353 63.100 0.056 0.000 0.771 589 P CB 0.523 32.248 31.700 0.042 0.000 0.858 590 D N -1.359 119.082 120.400 0.069 0.000 3.070 590 D HA -0.214 4.426 4.640 -0.000 0.000 0.220 590 D C 0.011 176.344 176.300 0.056 0.000 1.176 590 D CA 1.492 55.529 54.000 0.062 0.000 0.924 590 D CB -1.249 39.577 40.800 0.044 0.000 1.124 590 D HN 0.526 nan 8.370 nan 0.000 0.411 591 A N 0.427 123.284 122.820 0.062 0.000 2.276 591 A HA 0.513 4.833 4.320 -0.000 0.000 0.316 591 A C 0.483 178.105 177.584 0.063 0.000 1.229 591 A CA -0.244 51.820 52.037 0.044 0.000 0.851 591 A CB 0.954 19.971 19.000 0.028 0.000 1.165 591 A HN -0.019 nan 8.150 nan 0.000 0.513 592 T N 4.160 118.737 114.554 0.039 0.000 2.738 592 T HA 0.390 4.740 4.350 -0.000 0.000 0.293 592 T C 0.020 174.760 174.700 0.066 0.000 0.913 592 T CA 0.558 62.693 62.100 0.058 0.000 1.103 592 T CB -0.674 68.189 68.868 -0.009 0.000 0.880 592 T HN 0.420 nan 8.240 nan 0.000 0.526 593 L N 2.827 124.089 121.223 0.064 0.000 2.334 593 L HA 0.447 4.786 4.340 -0.000 0.000 0.272 593 L C 0.568 177.332 176.870 -0.177 0.000 1.020 593 L CA -1.078 53.716 54.840 -0.076 0.000 0.812 593 L CB 1.457 43.388 42.059 -0.213 0.000 1.264 593 L HN 0.623 nan 8.230 nan 0.000 0.439 594 H N 1.812 120.629 119.070 -0.422 0.000 2.604 594 H HA 0.331 4.887 4.556 -0.000 0.000 0.306 594 H C -1.569 173.351 175.328 -0.680 0.000 1.075 594 H CA -0.519 55.166 56.048 -0.606 0.000 1.357 594 H CB 0.660 30.165 29.762 -0.429 0.000 1.426 594 H HN 0.408 nan 8.280 nan 0.000 0.470 595 Y N 3.272 123.269 120.300 -0.506 0.000 2.364 595 Y HA 0.199 4.748 4.550 -0.000 0.000 0.340 595 Y C -0.395 175.209 175.900 -0.493 0.000 0.975 595 Y CA -0.807 56.998 58.100 -0.492 0.000 1.089 595 Y CB 1.494 39.716 38.460 -0.396 0.000 1.192 595 Y HN 0.687 nan 8.280 nan 0.000 0.454 596 H N 4.641 123.469 119.070 -0.404 0.000 3.078 596 H HA 0.551 5.107 4.556 -0.000 0.000 0.319 596 H C -1.696 173.566 175.328 -0.111 0.000 0.995 596 H CA -1.075 54.761 56.048 -0.353 0.000 1.417 596 H CB 0.511 30.010 29.762 -0.438 0.000 1.598 596 H HN 0.509 nan 8.280 nan 0.000 0.515 597 F N 1.126 120.835 119.950 -0.402 0.000 2.631 597 F HA 0.515 5.042 4.527 -0.000 0.000 0.308 597 F C -0.592 175.165 175.800 -0.072 0.000 1.097 597 F CA -1.179 56.701 58.000 -0.201 0.000 0.952 597 F CB 0.909 39.670 39.000 -0.398 0.000 1.307 597 F HN 0.373 nan 8.300 nan 0.000 0.450 598 T N 1.060 115.793 114.554 0.299 0.000 2.913 598 T HA 0.652 5.001 4.350 -0.000 0.000 0.297 598 T C -0.317 174.606 174.700 0.371 0.000 1.029 598 T CA -0.528 61.708 62.100 0.227 0.000 1.104 598 T CB 1.063 70.090 68.868 0.265 0.000 0.964 598 T HN 0.702 nan 8.240 nan 0.000 0.532 599 L N 1.962 123.298 121.223 0.188 0.000 2.298 599 L HA 0.547 4.887 4.340 -0.000 0.000 0.268 599 L C -2.245 174.730 176.870 0.174 0.000 1.010 599 L CA -3.182 51.800 54.840 0.237 0.000 0.812 599 L CB 1.278 43.413 42.059 0.126 0.000 1.331 599 L HN 0.417 nan 8.230 nan 0.000 0.450 600 P HA 0.006 nan 4.420 nan 0.000 0.265 600 P C -0.732 176.580 177.300 0.021 0.000 1.187 600 P CA -0.111 63.041 63.100 0.087 0.000 0.766 600 P CB 0.428 32.174 31.700 0.077 0.000 0.820 601 A N 2.812 125.628 122.820 -0.007 0.000 2.507 601 A HA 0.410 4.730 4.320 -0.000 0.000 0.235 601 A C 0.265 177.818 177.584 -0.052 0.000 1.070 601 A CA 0.134 52.177 52.037 0.009 0.000 0.768 601 A CB -0.316 18.729 19.000 0.074 0.000 1.011 601 A HN 0.478 nan 8.150 nan 0.000 0.502 602 V N -0.765 119.147 119.914 -0.003 0.000 2.962 602 V HA 0.861 4.981 4.120 -0.000 0.000 0.313 602 V C -0.637 175.468 176.094 0.018 0.000 1.099 602 V CA -0.798 61.471 62.300 -0.052 0.000 0.971 602 V CB 2.194 34.009 31.823 -0.013 0.000 1.028 602 V HN 0.934 nan 8.190 nan 0.000 0.430 603 N N 0.861 119.537 118.700 -0.040 0.000 2.824 603 N HA 0.398 5.138 4.740 -0.000 0.000 0.224 603 N C -1.270 174.223 175.510 -0.028 0.000 1.418 603 N CA -0.166 52.884 53.050 -0.001 0.000 0.743 603 N CB 0.466 38.920 38.487 -0.054 0.000 1.395 603 N HN 1.142 nan 8.380 nan 0.000 0.548 604 H N -0.263 118.714 119.070 -0.155 0.000 2.949 604 H HA 0.788 5.344 4.556 -0.000 0.000 0.356 604 H C -1.390 173.788 175.328 -0.250 0.000 1.212 604 H CA -0.666 55.229 56.048 -0.256 0.000 1.136 604 H CB 1.754 31.284 29.762 -0.387 0.000 1.869 604 H HN -0.040 nan 8.280 nan 0.000 0.556 605 V N 3.080 122.457 119.914 -0.894 0.000 2.577 605 V HA 0.256 4.376 4.120 -0.000 0.000 0.303 605 V C -0.982 174.643 176.094 -0.781 0.000 1.042 605 V CA -0.661 61.312 62.300 -0.545 0.000 0.872 605 V CB 1.280 32.890 31.823 -0.355 0.000 0.998 605 V HN 0.591 nan 8.190 nan 0.000 0.423 606 F N 3.855 123.685 119.950 -0.200 0.000 2.405 606 F HA 0.648 5.175 4.527 -0.000 0.000 0.358 606 F C 0.986 176.656 175.800 -0.217 0.000 1.151 606 F CA -0.129 57.788 58.000 -0.139 0.000 1.161 606 F CB 0.790 39.835 39.000 0.075 0.000 1.245 606 F HN 0.601 nan 8.300 nan 0.000 0.545 607 A N 4.163 126.756 122.820 -0.379 0.000 2.280 607 A HA 0.369 4.689 4.320 -0.000 0.000 0.268 607 A C 0.399 178.017 177.584 0.058 0.000 1.111 607 A CA -0.773 51.144 52.037 -0.201 0.000 0.814 607 A CB 0.387 19.220 19.000 -0.278 0.000 1.093 607 A HN 0.673 nan 8.150 nan 0.000 0.498 608 K N -0.527 119.937 120.400 0.105 0.000 2.448 608 K HA 0.345 4.665 4.320 -0.000 0.000 0.278 608 K C 1.089 177.831 176.600 0.236 0.000 1.009 608 K CA 1.092 57.467 56.287 0.146 0.000 0.995 608 K CB 0.200 32.755 32.500 0.091 0.000 0.917 608 K HN 1.361 nan 8.250 nan 0.000 0.481 609 G N 1.585 110.499 108.800 0.190 0.000 2.217 609 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 609 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 609 G C 0.137 175.117 174.900 0.134 0.000 0.990 609 G CA -0.206 44.978 45.100 0.141 0.000 0.627 609 G HN 0.752 nan 8.290 nan 0.000 0.522 610 H N 0.171 119.306 119.070 0.109 0.000 2.497 610 H HA 0.686 5.241 4.556 -0.000 0.000 0.348 610 H C 0.513 175.922 175.328 0.134 0.000 1.335 610 H CA -0.185 55.952 56.048 0.147 0.000 1.395 610 H CB 0.869 30.765 29.762 0.223 0.000 1.658 610 H HN 0.240 nan 8.280 nan 0.000 0.613 611 R N 0.302 120.963 120.500 0.269 0.000 2.795 611 R HA 0.437 4.777 4.340 -0.000 0.000 0.275 611 R C -0.784 175.598 176.300 0.136 0.000 0.981 611 R CA -0.814 55.377 56.100 0.151 0.000 0.917 611 R CB 2.014 32.367 30.300 0.089 0.000 1.202 611 R HN 0.395 nan 8.270 nan 0.000 0.469 612 I N 2.447 122.991 120.570 -0.044 0.000 2.385 612 I HA 0.403 4.573 4.170 -0.000 0.000 0.294 612 I C -0.014 176.059 176.117 -0.074 0.000 0.988 612 I CA -0.347 60.825 61.300 -0.213 0.000 1.265 612 I CB 1.523 39.201 38.000 -0.537 0.000 1.388 612 I HN 0.415 nan 8.210 nan 0.000 0.480 613 M N 6.516 126.114 119.600 -0.003 0.000 2.518 613 M HA 0.658 5.138 4.480 -0.000 0.000 0.300 613 M C -2.056 174.274 176.300 0.050 0.000 1.175 613 M CA -0.613 54.711 55.300 0.040 0.000 0.890 613 M CB 2.336 34.981 32.600 0.075 0.000 1.710 613 M HN 0.304 nan 8.290 nan 0.000 0.453 614 V N 3.704 123.665 119.914 0.078 0.000 2.531 614 V HA 0.476 4.596 4.120 -0.000 0.000 0.301 614 V C -0.975 175.211 176.094 0.154 0.000 1.034 614 V CA -0.532 61.820 62.300 0.087 0.000 0.865 614 V CB 2.030 33.869 31.823 0.027 0.000 0.995 614 V HN 0.879 nan 8.190 nan 0.000 0.424 615 Q N 4.234 124.099 119.800 0.109 0.000 2.353 615 Q HA 0.719 5.059 4.340 -0.000 0.000 0.268 615 Q C -1.364 174.672 176.000 0.060 0.000 1.045 615 Q CA -0.540 55.315 55.803 0.085 0.000 0.811 615 Q CB 3.103 31.867 28.738 0.045 0.000 1.305 615 Q HN 0.637 nan 8.270 nan 0.000 0.447 616 I N 2.413 123.015 120.570 0.053 0.000 2.608 616 I HA 0.396 4.565 4.170 -0.000 0.000 0.295 616 I C -0.463 175.580 176.117 -0.123 0.000 1.049 616 I CA -0.574 60.755 61.300 0.047 0.000 1.063 616 I CB 1.991 40.104 38.000 0.188 0.000 1.248 616 I HN 0.635 nan 8.210 nan 0.000 0.424 617 Q N 2.674 122.431 119.800 -0.071 0.000 2.685 617 Q HA 0.506 4.846 4.340 -0.000 0.000 0.301 617 Q C -1.397 174.635 176.000 0.054 0.000 0.924 617 Q CA -0.889 54.832 55.803 -0.137 0.000 0.755 617 Q CB 1.880 30.517 28.738 -0.168 0.000 1.470 617 Q HN 0.398 nan 8.270 nan 0.000 0.434 618 S N 0.167 115.918 115.700 0.085 0.000 2.749 618 S HA 0.316 4.786 4.470 -0.000 0.000 0.246 618 S C -0.753 173.836 174.600 -0.018 0.000 1.023 618 S CA 0.349 58.525 58.200 -0.039 0.000 1.012 618 S CB 0.362 63.478 63.200 -0.141 0.000 0.942 618 S HN 0.617 nan 8.310 nan 0.000 0.531 619 S N -0.271 115.461 115.700 0.053 0.000 2.588 619 S HA 0.759 5.229 4.470 -0.000 0.000 0.269 619 S C -2.178 172.619 174.600 0.328 0.000 1.157 619 S CA -0.696 57.609 58.200 0.175 0.000 0.824 619 S CB 1.543 64.846 63.200 0.171 0.000 1.126 619 S HN 0.226 nan 8.310 nan 0.000 0.464 620 W N 1.734 123.186 121.300 0.253 0.000 2.012 620 W HA 0.487 5.147 4.660 -0.000 0.000 0.291 620 W C -2.179 174.518 176.519 0.298 0.000 1.041 620 W CA -1.568 55.955 57.345 0.296 0.000 0.983 620 W CB 0.761 30.403 29.460 0.304 0.000 0.892 620 W HN 0.694 nan 8.180 nan 0.000 0.259 621 F N 5.541 125.689 119.950 0.330 0.000 2.470 621 F HA 0.685 5.212 4.527 -0.000 0.000 0.329 621 F C -1.271 174.689 175.800 0.266 0.000 1.072 621 F CA -2.565 55.529 58.000 0.156 0.000 0.989 621 F CB 1.931 40.990 39.000 0.098 0.000 1.193 621 F HN -0.078 nan 8.300 nan 0.000 0.481 622 P HA 0.007 nan 4.420 nan 0.000 0.257 622 P C 1.322 178.082 177.300 -0.901 0.000 1.325 622 P CA 0.293 62.577 63.100 -1.360 0.000 0.850 622 P CB 0.235 31.178 31.700 -1.262 0.000 1.324 623 L N -0.029 120.617 121.223 -0.962 0.000 1.989 623 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 623 L C 0.347 176.607 176.870 -1.017 0.000 1.071 623 L CA 1.778 55.904 54.840 -1.191 0.000 0.749 623 L CB -1.318 39.523 42.059 -2.030 0.000 0.890 623 L HN -0.119 nan 8.230 nan 0.000 0.431 624 Y N 0.794 120.833 120.300 -0.435 0.000 2.342 624 Y HA 0.318 4.868 4.550 -0.000 0.000 0.334 624 Y C 0.141 176.032 175.900 -0.015 0.000 1.067 624 Y CA -1.886 56.096 58.100 -0.196 0.000 1.128 624 Y CB 0.414 38.875 38.460 0.001 0.000 1.200 624 Y HN 0.235 nan 8.280 nan 0.000 0.464 625 D N 2.251 122.779 120.400 0.213 0.000 2.399 625 D HA 0.056 4.696 4.640 -0.000 0.000 0.241 625 D C -0.408 176.122 176.300 0.384 0.000 1.133 625 D CA -0.429 53.781 54.000 0.349 0.000 0.890 625 D CB 0.706 41.768 40.800 0.437 0.000 1.201 625 D HN 0.479 nan 8.370 nan 0.000 0.432 626 R N 1.256 122.008 120.500 0.421 0.000 2.491 626 R HA 0.132 4.472 4.340 -0.000 0.000 0.283 626 R C 0.591 177.047 176.300 0.260 0.000 1.072 626 R CA -0.578 55.705 56.100 0.304 0.000 1.048 626 R CB 0.289 30.717 30.300 0.214 0.000 0.983 626 R HN 0.451 nan 8.270 nan 0.000 0.450 627 N N 3.761 122.546 118.700 0.141 0.000 2.470 627 N HA 0.049 4.789 4.740 -0.000 0.000 0.268 627 N C -1.847 173.678 175.510 0.025 0.000 1.136 627 N CA -1.731 51.342 53.050 0.040 0.000 0.961 627 N CB 1.322 39.790 38.487 -0.031 0.000 1.067 627 N HN 0.283 nan 8.380 nan 0.000 0.468 628 P HA -0.057 nan 4.420 nan 0.000 0.226 628 P C -0.348 176.881 177.300 -0.118 0.000 1.153 628 P CA 0.846 63.765 63.100 -0.301 0.000 0.777 628 P CB 0.207 31.546 31.700 -0.601 0.000 0.794 629 Q N -2.412 117.342 119.800 -0.076 0.000 2.503 629 Q HA -0.210 4.130 4.340 -0.000 0.000 0.267 629 Q C 0.053 176.043 176.000 -0.017 0.000 1.030 629 Q CA 0.844 56.622 55.803 -0.041 0.000 1.041 629 Q CB -1.733 26.988 28.738 -0.028 0.000 1.406 629 Q HN 0.328 nan 8.270 nan 0.000 0.524 630 K N 0.224 120.604 120.400 -0.034 0.000 2.553 630 K HA 0.378 4.697 4.320 -0.000 0.000 0.250 630 K C -1.274 175.337 176.600 0.018 0.000 0.953 630 K CA -0.758 55.530 56.287 0.002 0.000 0.800 630 K CB 0.955 33.433 32.500 -0.037 0.000 1.243 630 K HN 0.016 nan 8.250 nan 0.000 0.435 631 F N 5.917 125.836 119.950 -0.052 0.000 2.519 631 F HA 0.168 4.694 4.527 -0.000 0.000 0.375 631 F C -0.264 175.503 175.800 -0.055 0.000 1.084 631 F CA 0.127 58.093 58.000 -0.056 0.000 1.147 631 F CB 0.394 39.371 39.000 -0.038 0.000 1.088 631 F HN 0.226 nan 8.300 nan 0.000 0.555 632 V N 4.905 124.460 119.914 -0.599 0.000 2.919 632 V HA 0.540 4.660 4.120 -0.000 0.000 0.316 632 V C -2.125 173.553 176.094 -0.693 0.000 1.077 632 V CA -1.922 60.104 62.300 -0.457 0.000 0.977 632 V CB 1.426 33.087 31.823 -0.270 0.000 1.039 632 V HN 0.501 nan 8.190 nan 0.000 0.441 633 P HA -0.054 nan 4.420 nan 0.000 0.215 633 P C 0.174 177.327 177.300 -0.245 0.000 1.153 633 P CA 1.407 64.332 63.100 -0.292 0.000 0.853 633 P CB 0.107 31.736 31.700 -0.118 0.000 0.788 634 N N -1.005 117.580 118.700 -0.192 0.000 2.558 634 N HA 0.172 4.912 4.740 -0.000 0.000 0.285 634 N C 0.602 176.044 175.510 -0.113 0.000 1.112 634 N CA -0.372 52.598 53.050 -0.134 0.000 0.857 634 N CB 0.768 39.200 38.487 -0.091 0.000 1.376 634 N HN -0.199 nan 8.380 nan 0.000 0.526 635 I N 2.212 122.679 120.570 -0.172 0.000 2.423 635 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 635 I C 1.396 177.514 176.117 0.002 0.000 1.151 635 I CA 1.159 62.380 61.300 -0.132 0.000 1.421 635 I CB -0.163 37.746 38.000 -0.153 0.000 1.079 635 I HN 0.476 nan 8.210 nan 0.000 0.431 636 F N 0.917 120.925 119.950 0.097 0.000 2.202 636 F HA -0.238 4.288 4.527 -0.000 0.000 0.301 636 F C 1.601 177.542 175.800 0.235 0.000 1.082 636 F CA 0.882 59.000 58.000 0.197 0.000 1.313 636 F CB -0.125 38.972 39.000 0.162 0.000 1.024 636 F HN 0.134 nan 8.300 nan 0.000 0.495 637 D N 0.206 120.793 120.400 0.312 0.000 2.388 637 D HA 0.189 4.829 4.640 -0.000 0.000 0.221 637 D C 0.617 177.009 176.300 0.152 0.000 1.133 637 D CA 0.111 54.258 54.000 0.245 0.000 0.831 637 D CB -0.229 40.688 40.800 0.193 0.000 0.962 637 D HN 0.025 nan 8.370 nan 0.000 0.502 638 A N 0.937 123.833 122.820 0.126 0.000 2.531 638 A HA 0.101 4.421 4.320 -0.000 0.000 0.236 638 A C 0.662 178.337 177.584 0.153 0.000 1.062 638 A CA 0.324 52.381 52.037 0.032 0.000 0.760 638 A CB 0.414 19.332 19.000 -0.137 0.000 0.995 638 A HN -0.004 nan 8.150 nan 0.000 0.501 639 K N 2.585 123.043 120.400 0.098 0.000 2.139 639 K HA 0.377 4.697 4.320 -0.000 0.000 0.243 639 K C -1.930 174.826 176.600 0.260 0.000 0.983 639 K CA -1.840 54.543 56.287 0.160 0.000 0.890 639 K CB 0.809 33.363 32.500 0.090 0.000 1.090 639 K HN 0.298 nan 8.250 nan 0.000 0.445 640 P HA -0.238 nan 4.420 nan 0.000 0.216 640 P C 0.794 178.241 177.300 0.245 0.000 1.153 640 P CA 1.414 64.668 63.100 0.256 0.000 0.858 640 P CB 0.089 31.858 31.700 0.116 0.000 0.789 641 A N -0.402 122.503 122.820 0.142 0.000 2.070 641 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 641 A C 1.793 179.424 177.584 0.078 0.000 1.159 641 A CA 1.714 53.809 52.037 0.097 0.000 0.656 641 A CB -1.192 17.845 19.000 0.060 0.000 0.800 641 A HN 0.100 nan 8.150 nan 0.000 0.453 642 D N -1.379 119.047 120.400 0.043 0.000 2.269 642 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 642 D C -0.307 175.904 176.300 -0.148 0.000 0.963 642 D CA 0.548 54.495 54.000 -0.087 0.000 0.864 642 D CB -0.239 40.437 40.800 -0.207 0.000 0.936 642 D HN 0.557 nan 8.370 nan 0.000 0.505 643 Y N 1.028 121.335 120.300 0.010 0.000 2.480 643 Y HA 0.179 4.729 4.550 -0.000 0.000 0.341 643 Y C 0.758 176.659 175.900 0.002 0.000 1.031 643 Y CA 0.148 58.249 58.100 0.001 0.000 1.295 643 Y CB 0.589 39.043 38.460 -0.010 0.000 1.162 643 Y HN -0.343 nan 8.280 nan 0.000 0.523 644 T N 3.135 117.746 114.554 0.094 0.000 2.863 644 T HA 0.444 4.793 4.350 -0.000 0.000 0.285 644 T C -0.392 174.345 174.700 0.061 0.000 1.009 644 T CA -0.851 61.288 62.100 0.066 0.000 0.989 644 T CB 1.409 70.296 68.868 0.032 0.000 1.004 644 T HN 0.213 nan 8.240 nan 0.000 0.455 645 V N 2.137 122.086 119.914 0.059 0.000 2.715 645 V HA 0.654 4.773 4.120 -0.000 0.000 0.299 645 V C 0.454 176.571 176.094 0.037 0.000 1.054 645 V CA -0.242 62.091 62.300 0.055 0.000 1.077 645 V CB 0.729 32.588 31.823 0.061 0.000 0.972 645 V HN 1.150 nan 8.190 nan 0.000 0.484 646 A N 3.301 126.136 122.820 0.025 0.000 2.539 646 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 646 A C -0.399 177.177 177.584 -0.014 0.000 1.073 646 A CA -0.604 51.437 52.037 0.007 0.000 0.700 646 A CB 1.893 20.888 19.000 -0.008 0.000 1.296 646 A HN 0.666 nan 8.150 nan 0.000 0.405 647 T N 2.670 117.214 114.554 -0.016 0.000 2.767 647 T HA 0.535 4.885 4.350 -0.000 0.000 0.284 647 T C -0.576 174.081 174.700 -0.071 0.000 0.973 647 T CA -0.386 61.688 62.100 -0.044 0.000 0.996 647 T CB 0.951 69.817 68.868 -0.004 0.000 0.927 647 T HN 0.568 nan 8.240 nan 0.000 0.456 648 Q N 1.641 121.307 119.800 -0.224 0.000 2.266 648 Q HA 0.672 5.012 4.340 -0.000 0.000 0.261 648 Q C -0.765 175.154 176.000 -0.135 0.000 0.985 648 Q CA -0.716 54.977 55.803 -0.184 0.000 0.873 648 Q CB 2.142 30.550 28.738 -0.551 0.000 1.306 648 Q HN 0.572 nan 8.270 nan 0.000 0.447 649 S N 1.487 117.223 115.700 0.060 0.000 2.614 649 S HA 0.550 5.019 4.470 -0.000 0.000 0.288 649 S C -0.602 174.083 174.600 0.141 0.000 1.137 649 S CA -0.576 57.683 58.200 0.099 0.000 0.992 649 S CB 0.794 64.050 63.200 0.094 0.000 1.026 649 S HN 0.369 nan 8.310 nan 0.000 0.486 650 I N 2.926 123.615 120.570 0.198 0.000 2.312 650 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 650 I C 0.202 176.424 176.117 0.175 0.000 1.008 650 I CA -0.340 61.075 61.300 0.192 0.000 1.226 650 I CB 0.587 38.752 38.000 0.274 0.000 1.371 650 I HN 0.639 nan 8.210 nan 0.000 0.468 651 H N 5.299 124.407 119.070 0.063 0.000 2.525 651 H HA 0.541 5.096 4.556 -0.000 0.000 0.339 651 H C -0.676 174.653 175.328 0.003 0.000 1.109 651 H CA -0.079 55.952 56.048 -0.028 0.000 1.352 651 H CB 0.548 30.287 29.762 -0.039 0.000 1.461 651 H HN 0.750 nan 8.280 nan 0.000 0.533 652 H N 1.698 120.606 119.070 -0.270 0.000 2.768 652 H HA 0.605 5.161 4.556 -0.000 0.000 0.371 652 H C 0.170 175.387 175.328 -0.184 0.000 1.151 652 H CA -0.754 55.200 56.048 -0.156 0.000 1.165 652 H CB 1.191 30.861 29.762 -0.153 0.000 1.722 652 H HN 1.003 nan 8.280 nan 0.000 0.543 653 G N 0.073 108.887 108.800 0.023 0.000 2.814 653 G HA2 0.314 4.274 3.960 -0.000 0.000 0.677 653 G HA3 0.314 4.274 3.960 -0.000 0.000 0.677 653 G C 0.482 175.418 174.900 0.059 0.000 1.429 653 G CA 0.421 45.522 45.100 0.001 0.000 0.868 653 G HN 2.240 nan 8.290 nan 0.000 0.553 654 G N -0.238 108.634 108.800 0.120 0.000 2.539 654 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.256 654 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.256 654 G C 0.911 175.830 174.900 0.031 0.000 1.233 654 G CA 1.017 46.148 45.100 0.053 0.000 0.936 654 G HN 1.578 nan 8.290 nan 0.000 0.571 655 K N 1.003 121.333 120.400 -0.117 0.000 2.459 655 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 655 K C 0.928 177.222 176.600 -0.510 0.000 1.030 655 K CA 1.134 57.291 56.287 -0.216 0.000 1.026 655 K CB 0.244 32.620 32.500 -0.207 0.000 0.809 655 K HN 0.528 nan 8.250 nan 0.000 0.504 656 E N 0.921 120.750 120.200 -0.619 0.000 3.582 656 E HA 0.195 4.545 4.350 -0.000 0.000 0.217 656 E C -1.195 175.009 176.600 -0.661 0.000 1.092 656 E CA -0.376 55.225 56.400 -1.331 0.000 1.365 656 E CB 1.257 30.300 29.700 -1.095 0.000 1.278 656 E HN 0.136 nan 8.360 nan 0.000 0.439 657 A N 1.412 124.001 122.820 -0.385 0.000 2.437 657 A HA 0.201 4.520 4.320 -0.000 0.000 0.303 657 A C 0.469 178.186 177.584 0.222 0.000 1.324 657 A CA -0.246 51.769 52.037 -0.037 0.000 0.983 657 A CB -0.080 18.765 19.000 -0.258 0.000 1.142 657 A HN 0.121 nan 8.150 nan 0.000 0.541 658 T N 2.689 117.414 114.554 0.285 0.000 2.928 658 T HA 0.402 4.752 4.350 -0.000 0.000 0.305 658 T C 0.688 175.426 174.700 0.064 0.000 1.035 658 T CA 1.018 63.264 62.100 0.244 0.000 1.145 658 T CB 0.124 69.060 68.868 0.112 0.000 0.963 658 T HN 1.195 nan 8.240 nan 0.000 0.545 659 S N 2.348 118.030 115.700 -0.030 0.000 2.615 659 S HA 0.658 5.128 4.470 -0.000 0.000 0.269 659 S C -1.480 172.992 174.600 -0.212 0.000 1.161 659 S CA -1.120 56.967 58.200 -0.189 0.000 0.817 659 S CB 1.244 64.214 63.200 -0.383 0.000 1.131 659 S HN 0.434 nan 8.310 nan 0.000 0.467 660 I N 2.018 122.441 120.570 -0.246 0.000 2.339 660 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 660 I C -0.583 175.411 176.117 -0.205 0.000 0.994 660 I CA -0.660 60.511 61.300 -0.216 0.000 1.191 660 I CB 1.246 39.142 38.000 -0.173 0.000 1.343 660 I HN 0.655 nan 8.210 nan 0.000 0.458 661 L N 7.088 128.200 121.223 -0.184 0.000 2.363 661 L HA 0.309 4.649 4.340 -0.000 0.000 0.286 661 L C 0.039 176.854 176.870 -0.092 0.000 1.106 661 L CA -0.190 54.569 54.840 -0.135 0.000 0.859 661 L CB 0.072 42.065 42.059 -0.111 0.000 1.223 661 L HN 0.345 nan 8.230 nan 0.000 0.446 662 L N 6.350 127.543 121.223 -0.050 0.000 2.326 662 L HA 0.337 4.677 4.340 -0.000 0.000 0.278 662 L C -1.763 175.109 176.870 0.003 0.000 1.092 662 L CA -1.695 53.148 54.840 0.004 0.000 0.810 662 L CB 1.341 43.443 42.059 0.072 0.000 1.153 662 L HN 0.352 nan 8.230 nan 0.000 0.439 663 P HA 0.098 nan 4.420 nan 0.000 0.231 663 P C -0.313 176.982 177.300 -0.008 0.000 1.811 663 P CA -0.160 62.916 63.100 -0.040 0.000 1.051 663 P CB 0.198 31.848 31.700 -0.083 0.000 1.951 664 V N 3.404 123.321 119.914 0.004 0.000 2.637 664 V HA 0.146 4.266 4.120 -0.000 0.000 0.296 664 V C 1.080 177.158 176.094 -0.025 0.000 1.046 664 V CA 0.061 62.365 62.300 0.006 0.000 1.066 664 V CB 1.226 33.031 31.823 -0.030 0.000 0.968 664 V HN 0.332 nan 8.190 nan 0.000 0.483 665 V N 2.253 122.160 119.914 -0.012 0.000 2.962 665 V HA 0.686 4.806 4.120 -0.000 0.000 0.313 665 V C -0.422 175.667 176.094 -0.009 0.000 1.099 665 V CA -1.234 61.056 62.300 -0.017 0.000 0.971 665 V CB 1.847 33.664 31.823 -0.009 0.000 1.028 665 V HN 0.741 nan 8.190 nan 0.000 0.430 666 K N 0.000 120.395 120.400 -0.008 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543