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_N 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 0.000 0.000 0.993 50 H CA 0.000 56.048 56.048 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 4.311 124.718 120.400 0.011 0.000 2.371 51 D HA 0.154 4.794 4.640 0.000 0.000 0.256 51 D C -1.203 175.077 176.300 -0.033 0.000 1.193 51 D CA -1.989 51.990 54.000 -0.035 0.000 0.881 51 D CB 1.368 42.166 40.800 -0.002 0.000 1.143 51 D HN 0.279 nan 8.370 nan 0.000 0.473 52 P HA -0.070 nan 4.420 nan 0.000 0.223 52 P C 1.241 178.536 177.300 -0.008 0.000 1.151 52 P CA 0.634 63.709 63.100 -0.041 0.000 0.787 52 P CB 0.262 31.922 31.700 -0.068 0.000 0.788 53 L N -1.403 119.814 121.223 -0.010 0.000 2.599 53 L HA 0.110 4.450 4.340 0.000 0.000 0.230 53 L C 1.752 178.626 176.870 0.006 0.000 1.141 53 L CA 0.557 55.396 54.840 -0.002 0.000 0.877 53 L CB -0.315 41.740 42.059 -0.006 0.000 1.009 53 L HN -0.036 nan 8.230 nan 0.000 0.447 54 S N -1.942 113.766 115.700 0.014 0.000 2.918 54 S HA 0.187 4.657 4.470 0.000 0.000 0.264 54 S C 0.350 174.969 174.600 0.031 0.000 1.078 54 S CA -0.197 58.015 58.200 0.020 0.000 0.918 54 S CB 1.141 64.353 63.200 0.019 0.000 0.882 54 S HN -0.047 nan 8.310 nan 0.000 0.466 55 V N 3.257 123.202 119.914 0.051 0.000 2.357 55 V HA 0.557 4.677 4.120 0.000 0.000 0.284 55 V C -0.663 175.484 176.094 0.089 0.000 1.018 55 V CA -0.537 61.804 62.300 0.069 0.000 0.841 55 V CB 1.329 33.213 31.823 0.101 0.000 0.991 55 V HN 0.230 nan 8.190 nan 0.000 0.437 56 Q N 3.334 123.169 119.800 0.059 0.000 2.368 56 Q HA 0.400 4.740 4.340 0.000 0.000 0.256 56 Q C 0.702 176.729 176.000 0.045 0.000 0.980 56 Q CA 0.007 55.844 55.803 0.056 0.000 0.887 56 Q CB 1.585 30.343 28.738 0.033 0.000 1.221 56 Q HN 0.882 nan 8.270 nan 0.000 0.458 57 T N -0.030 114.558 114.554 0.057 0.000 3.054 57 T HA 0.417 4.767 4.350 0.000 0.000 0.255 57 T C 0.765 175.478 174.700 0.021 0.000 1.035 57 T CA 0.208 62.319 62.100 0.017 0.000 0.941 57 T CB 0.524 69.374 68.868 -0.029 0.000 1.026 57 T HN 0.452 nan 8.240 nan 0.000 0.533 58 G N 0.979 109.799 108.800 0.035 0.000 3.019 58 G HA2 0.568 4.528 3.960 0.000 0.000 0.152 58 G HA3 0.568 4.528 3.960 0.000 0.000 0.152 58 G C -0.826 174.085 174.900 0.019 0.000 1.320 58 G CA -0.548 44.568 45.100 0.027 0.000 1.013 58 G HN 0.336 nan 8.290 nan 0.000 0.593 59 S N -1.175 114.536 115.700 0.017 0.000 2.578 59 S HA 0.438 4.908 4.470 0.000 0.000 0.301 59 S C -0.262 174.346 174.600 0.013 0.000 1.091 59 S CA -0.591 57.616 58.200 0.013 0.000 1.032 59 S CB 1.645 64.851 63.200 0.010 0.000 1.064 59 S HN 0.335 nan 8.310 nan 0.000 0.508 60 D N 2.037 122.443 120.400 0.011 0.000 2.339 60 D HA 0.250 4.890 4.640 0.000 0.000 0.217 60 D C -0.078 176.227 176.300 0.008 0.000 1.050 60 D CA 0.389 54.395 54.000 0.010 0.000 0.856 60 D CB 0.100 40.905 40.800 0.009 0.000 0.922 60 D HN 0.468 nan 8.370 nan 0.000 0.518 61 I N 2.928 123.503 120.570 0.008 0.000 2.301 61 I HA 0.160 4.330 4.170 0.000 0.000 0.292 61 I C -1.511 174.611 176.117 0.008 0.000 1.046 61 I CA -1.654 59.650 61.300 0.007 0.000 1.282 61 I CB 0.871 38.875 38.000 0.007 0.000 1.409 61 I HN -0.221 nan 8.210 nan 0.000 0.484 73 R N 2.341 122.770 120.500 -0.118 0.000 2.594 73 R HA 0.027 4.367 4.340 0.000 0.000 0.272 73 R C 0.199 176.416 176.300 -0.138 0.000 1.074 73 R CA 0.695 56.679 56.100 -0.193 0.000 1.105 73 R CB 0.255 30.253 30.300 -0.504 0.000 1.008 73 R HN 0.150 nan 8.270 nan 0.000 0.472 74 D N 1.303 121.689 120.400 -0.023 0.000 2.395 74 D HA 0.007 4.647 4.640 0.000 0.000 0.226 74 D C -0.513 175.873 176.300 0.145 0.000 1.146 74 D CA -0.069 53.968 54.000 0.062 0.000 0.830 74 D CB -0.189 40.675 40.800 0.107 0.000 0.958 74 D HN 0.487 nan 8.370 nan 0.000 0.501 75 Y N -1.245 119.069 120.300 0.023 0.000 2.656 75 Y HA 0.553 5.103 4.550 0.000 0.000 0.334 75 Y C -1.361 174.556 175.900 0.027 0.000 1.179 75 Y CA -1.900 56.217 58.100 0.028 0.000 1.050 75 Y CB 0.932 39.413 38.460 0.036 0.000 1.308 75 Y HN -0.050 nan 8.280 nan 0.000 0.456 76 I N 0.292 120.963 120.570 0.169 0.000 2.569 76 I HA 0.698 4.868 4.170 0.000 0.000 0.296 76 I C -1.416 174.847 176.117 0.243 0.000 1.028 76 I CA -1.101 60.248 61.300 0.082 0.000 1.082 76 I CB 2.364 40.387 38.000 0.039 0.000 1.264 76 I HN 0.782 nan 8.210 nan 0.000 0.429 77 K N 5.416 125.935 120.400 0.198 0.000 2.323 77 K HA 0.569 4.889 4.320 0.000 0.000 0.259 77 K C -1.103 175.562 176.600 0.109 0.000 0.947 77 K CA -0.700 55.704 56.287 0.195 0.000 0.819 77 K CB 1.727 34.378 32.500 0.251 0.000 1.109 77 K HN 0.740 nan 8.250 nan 0.000 0.429 78 R N 2.785 123.335 120.500 0.083 0.000 2.494 78 R HA 0.249 4.589 4.340 0.000 0.000 0.305 78 R C -0.911 175.385 176.300 -0.007 0.000 0.959 78 R CA -0.698 55.433 56.100 0.052 0.000 0.864 78 R CB 1.888 32.229 30.300 0.069 0.000 1.159 78 R HN 0.588 nan 8.270 nan 0.000 0.446 79 E N 2.396 122.579 120.200 -0.027 0.000 2.145 79 E HA 0.398 4.748 4.350 0.000 0.000 0.270 79 E C -0.915 175.601 176.600 -0.141 0.000 0.906 79 E CA -0.718 55.592 56.400 -0.150 0.000 0.761 79 E CB 2.172 31.855 29.700 -0.028 0.000 1.116 79 E HN 0.149 nan 8.360 nan 0.000 0.408 80 V N 2.490 122.243 119.914 -0.270 0.000 3.007 80 V HA 0.385 4.505 4.120 0.000 0.000 0.311 80 V C -0.424 175.493 176.094 -0.296 0.000 1.120 80 V CA -1.090 61.076 62.300 -0.224 0.000 0.980 80 V CB 2.126 33.794 31.823 -0.258 0.000 1.033 80 V HN 0.694 nan 8.190 nan 0.000 0.429 81 M N 2.946 122.426 119.600 -0.201 0.000 2.152 81 M HA 0.383 4.863 4.480 0.000 0.000 0.354 81 M C -0.670 175.461 176.300 -0.281 0.000 1.173 81 M CA -0.347 54.859 55.300 -0.157 0.000 1.110 81 M CB 0.857 33.437 32.600 -0.034 0.000 1.366 81 M HN 0.414 nan 8.290 nan 0.000 0.415 82 V N 7.198 126.865 119.914 -0.411 0.000 2.427 82 V HA 0.239 4.359 4.120 0.000 0.000 0.268 82 V C -1.803 174.140 176.094 -0.252 0.000 1.046 82 V CA -1.193 60.757 62.300 -0.583 0.000 0.970 82 V CB 0.590 31.988 31.823 -0.708 0.000 1.001 82 V HN 0.550 nan 8.190 nan 0.000 0.476 83 P HA 0.270 nan 4.420 nan 0.000 0.275 83 P C -0.521 176.793 177.300 0.024 0.000 1.227 83 P CA -0.378 62.709 63.100 -0.023 0.000 0.781 83 P CB 0.881 32.601 31.700 0.033 0.000 0.906 84 M N 2.528 122.153 119.600 0.042 0.000 2.513 84 M HA 0.270 4.750 4.480 0.000 0.000 0.291 84 M C 2.091 178.438 176.300 0.077 0.000 1.190 84 M CA -0.736 54.609 55.300 0.074 0.000 0.960 84 M CB 0.491 33.134 32.600 0.070 0.000 1.517 84 M HN 0.404 nan 8.290 nan 0.000 0.499 85 R N 0.642 121.192 120.500 0.083 0.000 2.159 85 R HA -0.161 4.179 4.340 0.000 0.000 0.237 85 R C 0.487 176.812 176.300 0.041 0.000 1.131 85 R CA 1.971 58.106 56.100 0.060 0.000 0.982 85 R CB -0.576 29.746 30.300 0.035 0.000 0.868 85 R HN 0.673 nan 8.270 nan 0.000 0.453 86 D N -0.835 119.589 120.400 0.041 0.000 2.339 86 D HA 0.100 4.740 4.640 0.000 0.000 0.217 86 D C 1.139 177.460 176.300 0.036 0.000 1.050 86 D CA 0.570 54.590 54.000 0.034 0.000 0.856 86 D CB 0.544 41.365 40.800 0.035 0.000 0.922 86 D HN 0.446 nan 8.370 nan 0.000 0.518 87 G N -0.302 108.522 108.800 0.040 0.000 2.213 87 G HA2 -0.258 3.702 3.960 0.000 0.000 0.236 87 G HA3 -0.258 3.702 3.960 0.000 0.000 0.236 87 G C 0.186 175.107 174.900 0.035 0.000 0.991 87 G CA 0.085 45.207 45.100 0.037 0.000 0.629 87 G HN 0.357 nan 8.290 nan 0.000 0.517 88 V N 2.056 121.993 119.914 0.039 0.000 2.572 88 V HA 0.364 4.484 4.120 0.000 0.000 0.291 88 V C 0.662 176.775 176.094 0.032 0.000 1.039 88 V CA 0.307 62.631 62.300 0.040 0.000 1.055 88 V CB 1.312 33.165 31.823 0.051 0.000 0.969 88 V HN 0.328 nan 8.190 nan 0.000 0.482 89 K N 5.917 126.332 120.400 0.025 0.000 2.185 89 K HA 0.626 4.946 4.320 0.000 0.000 0.269 89 K C -1.037 175.574 176.600 0.020 0.000 0.987 89 K CA -0.477 55.812 56.287 0.003 0.000 0.865 89 K CB 1.563 34.063 32.500 0.001 0.000 1.090 89 K HN 0.487 nan 8.250 nan 0.000 0.450 90 L N 3.046 124.266 121.223 -0.006 0.000 2.322 90 L HA 0.364 4.704 4.340 0.000 0.000 0.279 90 L C -0.362 176.525 176.870 0.028 0.000 1.036 90 L CA -1.213 53.647 54.840 0.033 0.000 0.807 90 L CB 0.587 42.663 42.059 0.028 0.000 1.226 90 L HN 0.554 nan 8.230 nan 0.000 0.433 91 Y N 2.121 122.407 120.300 -0.023 0.000 2.402 91 Y HA 0.257 4.807 4.550 0.000 0.000 0.333 91 Y C -0.274 175.611 175.900 -0.025 0.000 1.076 91 Y CA 0.089 58.174 58.100 -0.025 0.000 1.299 91 Y CB 0.823 39.288 38.460 0.009 0.000 1.197 91 Y HN 0.508 nan 8.280 nan 0.000 0.517 92 T N 6.218 120.453 114.554 -0.533 0.000 2.881 92 T HA 0.512 4.862 4.350 0.000 0.000 0.290 92 T C -1.270 173.142 174.700 -0.481 0.000 1.000 92 T CA -0.704 61.170 62.100 -0.377 0.000 0.978 92 T CB 1.337 70.023 68.868 -0.303 0.000 0.997 92 T HN 0.394 nan 8.240 nan 0.000 0.443 93 V N 4.117 123.889 119.914 -0.238 0.000 2.448 93 V HA 0.561 4.681 4.120 0.000 0.000 0.295 93 V C -0.663 175.434 176.094 0.005 0.000 1.025 93 V CA -0.786 61.440 62.300 -0.122 0.000 0.859 93 V CB 1.290 33.125 31.823 0.020 0.000 0.988 93 V HN 0.772 nan 8.190 nan 0.000 0.431 94 I N 5.204 125.785 120.570 0.018 0.000 2.382 94 I HA 0.454 4.624 4.170 0.000 0.000 0.286 94 I C -0.361 175.806 176.117 0.084 0.000 1.002 94 I CA -0.444 60.890 61.300 0.056 0.000 1.135 94 I CB 1.992 40.035 38.000 0.071 0.000 1.288 94 I HN 0.290 nan 8.210 nan 0.000 0.448 95 V N 7.487 127.454 119.914 0.087 0.000 2.328 95 V HA 0.476 4.596 4.120 0.000 0.000 0.278 95 V C 0.028 176.181 176.094 0.098 0.000 1.021 95 V CA -0.413 61.946 62.300 0.099 0.000 0.838 95 V CB 1.038 32.880 31.823 0.030 0.000 0.999 95 V HN 0.478 nan 8.190 nan 0.000 0.447 96 I N 7.154 127.808 120.570 0.140 0.000 2.406 96 I HA 0.419 4.589 4.170 0.000 0.000 0.290 96 I C -2.446 173.757 176.117 0.143 0.000 0.999 96 I CA -2.275 59.093 61.300 0.113 0.000 1.124 96 I CB 2.527 40.578 38.000 0.085 0.000 1.289 96 I HN 0.388 nan 8.210 nan 0.000 0.441 97 P HA 0.071 nan 4.420 nan 0.000 0.268 97 P C -0.681 176.672 177.300 0.088 0.000 1.205 97 P CA -0.309 62.863 63.100 0.119 0.000 0.771 97 P CB 0.484 32.235 31.700 0.086 0.000 0.858 98 K N 2.399 122.849 120.400 0.083 0.000 2.436 98 K HA -0.017 4.303 4.320 0.000 0.000 0.275 98 K C 0.471 177.089 176.600 0.029 0.000 0.999 98 K CA 0.472 56.785 56.287 0.043 0.000 0.980 98 K CB -0.510 32.005 32.500 0.024 0.000 0.919 98 K HN 0.434 nan 8.250 nan 0.000 0.484 99 N N -0.252 118.458 118.700 0.016 0.000 2.721 99 N HA -0.255 4.485 4.740 0.000 0.000 0.249 99 N C -1.229 174.285 175.510 0.007 0.000 1.072 99 N CA 0.607 53.661 53.050 0.008 0.000 0.710 99 N CB -0.660 37.830 38.487 0.006 0.000 0.993 99 N HN 0.607 nan 8.380 nan 0.000 0.547 100 A N 0.634 123.460 122.820 0.010 0.000 2.327 100 A HA 0.683 5.003 4.320 0.000 0.000 0.283 100 A C 0.526 178.101 177.584 -0.014 0.000 1.127 100 A CA -0.053 51.985 52.037 0.001 0.000 0.810 100 A CB 0.795 19.801 19.000 0.009 0.000 1.066 100 A HN 0.360 nan 8.150 nan 0.000 0.492 101 R N 1.546 122.029 120.500 -0.028 0.000 2.522 101 R HA 0.362 4.702 4.340 0.000 0.000 0.283 101 R C -0.810 175.458 176.300 -0.053 0.000 1.074 101 R CA -0.326 55.752 56.100 -0.037 0.000 0.925 101 R CB 0.652 30.934 30.300 -0.030 0.000 1.205 101 R HN 1.001 nan 8.270 nan 0.000 0.436 102 N N 0.931 119.592 118.700 -0.064 0.000 2.758 102 N HA -0.236 4.504 4.740 0.000 0.000 0.248 102 N C -1.158 174.288 175.510 -0.106 0.000 1.076 102 N CA 0.730 53.731 53.050 -0.081 0.000 0.696 102 N CB -0.556 37.887 38.487 -0.073 0.000 0.979 102 N HN 0.577 nan 8.380 nan 0.000 0.550 103 A N 0.401 123.155 122.820 -0.111 0.000 2.301 103 A HA 0.665 4.985 4.320 0.000 0.000 0.312 103 A C -1.972 175.493 177.584 -0.199 0.000 1.182 103 A CA -1.347 50.594 52.037 -0.160 0.000 0.826 103 A CB 0.865 19.799 19.000 -0.110 0.000 1.134 103 A HN 0.064 nan 8.150 nan 0.000 0.501 104 P HA 0.348 nan 4.420 nan 0.000 0.274 104 P C -0.702 176.499 177.300 -0.165 0.000 1.246 104 P CA -0.001 62.923 63.100 -0.294 0.000 0.795 104 P CB 0.733 32.148 31.700 -0.474 0.000 1.006 105 I N 1.005 121.542 120.570 -0.056 0.000 2.412 105 I HA 0.313 4.483 4.170 0.000 0.000 0.296 105 I C 0.047 176.193 176.117 0.049 0.000 0.987 105 I CA -0.938 60.364 61.300 0.004 0.000 1.180 105 I CB 1.522 39.500 38.000 -0.036 0.000 1.340 105 I HN 0.148 nan 8.210 nan 0.000 0.455 106 L N 7.304 128.532 121.223 0.009 0.000 2.316 106 L HA 0.541 4.881 4.340 0.000 0.000 0.280 106 L C -1.160 175.596 176.870 -0.189 0.000 1.006 106 L CA -0.411 54.362 54.840 -0.112 0.000 0.836 106 L CB 1.385 43.239 42.059 -0.341 0.000 1.221 106 L HN 0.464 nan 8.230 nan 0.000 0.418 107 L N 4.553 125.685 121.223 -0.153 0.000 2.334 107 L HA 0.816 5.156 4.340 0.000 0.000 0.276 107 L C -0.591 176.163 176.870 -0.192 0.000 1.014 107 L CA 0.401 55.133 54.840 -0.180 0.000 0.815 107 L CB 2.136 44.138 42.059 -0.096 0.000 1.268 107 L HN 0.662 nan 8.230 nan 0.000 0.428 108 T N 4.546 118.940 114.554 -0.267 0.000 2.916 108 T HA 0.586 4.936 4.350 0.000 0.000 0.298 108 T C -0.852 173.848 174.700 0.001 0.000 1.031 108 T CA -0.646 61.363 62.100 -0.152 0.000 0.993 108 T CB 1.422 70.131 68.868 -0.265 0.000 1.045 108 T HN 0.541 nan 8.240 nan 0.000 0.454 109 R N 1.460 122.022 120.500 0.104 0.000 2.393 109 R HA 0.745 5.085 4.340 0.000 0.000 0.315 109 R C -0.607 175.818 176.300 0.207 0.000 0.952 109 R CA -0.794 55.397 56.100 0.152 0.000 0.842 109 R CB 1.974 32.359 30.300 0.143 0.000 1.163 109 R HN 0.547 nan 8.270 nan 0.000 0.450 110 T N 2.086 116.749 114.554 0.180 0.000 2.909 110 T HA 0.436 4.786 4.350 0.000 0.000 0.299 110 T C -2.348 172.307 174.700 -0.075 0.000 1.073 110 T CA -2.011 60.151 62.100 0.102 0.000 0.999 110 T CB 1.871 70.868 68.868 0.215 0.000 1.098 110 T HN 0.341 nan 8.240 nan 0.000 0.477 111 P HA 0.239 nan 4.420 nan 0.000 0.268 111 P C -0.360 176.706 177.300 -0.391 0.000 1.329 111 P CA -0.009 62.766 63.100 -0.542 0.000 0.899 111 P CB -0.054 30.995 31.700 -1.085 0.000 1.378 112 Y N 0.581 120.875 120.300 -0.010 0.000 2.801 112 Y HA 0.320 4.870 4.550 0.000 0.000 0.318 112 Y C 0.445 176.158 175.900 -0.311 0.000 1.073 112 Y CA -1.355 56.714 58.100 -0.052 0.000 1.360 112 Y CB -1.225 37.241 38.460 0.010 0.000 1.220 112 Y HN 0.067 nan 8.280 nan 0.000 0.536 113 N N 0.173 118.583 118.700 -0.483 0.000 2.372 113 N HA -0.199 4.542 4.740 0.000 0.000 0.282 113 N C 0.812 176.137 175.510 -0.308 0.000 1.425 113 N CA 0.211 52.776 53.050 -0.809 0.000 0.663 113 N CB -0.198 37.557 38.487 -1.219 0.000 0.903 113 N HN 0.495 nan 8.380 nan 0.000 0.495 114 A N 3.849 126.604 122.820 -0.109 0.000 1.902 114 A HA -0.201 4.119 4.320 0.000 0.000 0.217 114 A C 1.938 179.513 177.584 -0.015 0.000 1.181 114 A CA 1.895 53.950 52.037 0.029 0.000 0.623 114 A CB -0.266 18.883 19.000 0.247 0.000 0.818 114 A HN 0.769 nan 8.150 nan 0.000 0.443 115 K N -0.704 119.721 120.400 0.041 0.000 2.063 115 K HA -0.133 4.187 4.320 0.000 0.000 0.208 115 K C 1.969 178.520 176.600 -0.081 0.000 1.048 115 K CA 1.516 57.833 56.287 0.050 0.000 0.928 115 K CB -0.481 32.017 32.500 -0.002 0.000 0.713 115 K HN 0.405 nan 8.250 nan 0.000 0.442 116 G N 0.636 109.338 108.800 -0.163 0.000 2.403 116 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 116 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 116 G C 1.403 176.168 174.900 -0.225 0.000 1.154 116 G CA 0.020 45.018 45.100 -0.170 0.000 0.784 116 G HN 0.152 nan 8.290 nan 0.000 0.538 117 R N 0.920 121.214 120.500 -0.344 0.000 2.120 117 R HA 0.019 4.359 4.340 0.000 0.000 0.234 117 R C 2.237 178.116 176.300 -0.701 0.000 1.123 117 R CA 1.083 56.837 56.100 -0.577 0.000 0.975 117 R CB -0.690 29.066 30.300 -0.907 0.000 0.866 117 R HN 0.336 nan 8.270 nan 0.000 0.446 118 A N 0.706 123.201 122.820 -0.541 0.000 2.462 118 A HA 0.138 4.458 4.320 0.000 0.000 0.261 118 A C 0.266 177.767 177.584 -0.138 0.000 1.323 118 A CA -0.139 51.730 52.037 -0.280 0.000 0.913 118 A CB 0.013 18.963 19.000 -0.083 0.000 1.028 118 A HN 0.072 nan 8.150 nan 0.000 0.511 119 N N -0.012 118.605 118.700 -0.139 0.000 2.598 119 N HA 0.090 4.830 4.740 0.000 0.000 0.295 119 N C 1.096 176.568 175.510 -0.065 0.000 1.729 119 N CA -0.268 52.739 53.050 -0.072 0.000 0.877 119 N CB 0.183 38.645 38.487 -0.043 0.000 1.405 119 N HN 0.398 nan 8.380 nan 0.000 0.491 120 R N -0.102 120.354 120.500 -0.073 0.000 2.113 120 R HA -0.063 4.277 4.340 0.000 0.000 0.244 120 R C -0.207 176.081 176.300 -0.021 0.000 1.142 120 R CA 1.339 57.413 56.100 -0.043 0.000 0.953 120 R CB -0.020 30.262 30.300 -0.030 0.000 0.860 120 R HN -0.023 nan 8.270 nan 0.000 0.438 121 V N 4.189 124.095 119.914 -0.014 0.000 2.313 121 V HA 0.249 4.369 4.120 0.000 0.000 0.278 121 V C -2.247 173.854 176.094 0.012 0.000 1.017 121 V CA -1.853 60.450 62.300 0.004 0.000 0.823 121 V CB 1.560 33.391 31.823 0.014 0.000 1.010 121 V HN 0.217 nan 8.190 nan 0.000 0.443 122 P HA 0.029 nan 4.420 nan 0.000 0.260 122 P C 0.252 177.580 177.300 0.048 0.000 1.185 122 P CA 0.526 63.639 63.100 0.021 0.000 0.763 122 P CB -0.130 31.578 31.700 0.013 0.000 0.776 123 N N -0.263 118.483 118.700 0.076 0.000 2.721 123 N HA -0.207 4.533 4.740 0.000 0.000 0.249 123 N C 0.276 175.866 175.510 0.134 0.000 1.072 123 N CA 0.320 53.440 53.050 0.115 0.000 0.710 123 N CB -1.337 37.194 38.487 0.072 0.000 0.993 123 N HN 0.619 nan 8.380 nan 0.000 0.547 124 A N -0.031 122.879 122.820 0.149 0.000 2.475 124 A HA 0.213 4.533 4.320 0.000 0.000 0.239 124 A C 1.405 179.122 177.584 0.222 0.000 1.087 124 A CA 0.122 52.247 52.037 0.145 0.000 0.779 124 A CB 0.271 19.335 19.000 0.108 0.000 1.036 124 A HN 0.353 nan 8.150 nan 0.000 0.506 125 L N 0.115 121.428 121.223 0.150 0.000 2.341 125 L HA 0.059 4.399 4.340 0.000 0.000 0.214 125 L C 1.361 178.355 176.870 0.207 0.000 1.115 125 L CA 1.215 56.128 54.840 0.121 0.000 0.820 125 L CB -0.627 41.466 42.059 0.058 0.000 0.944 125 L HN 0.916 nan 8.230 nan 0.000 0.452 126 T N -4.319 110.375 114.554 0.235 0.000 2.885 126 T HA 0.276 4.626 4.350 0.000 0.000 0.285 126 T C 0.640 175.445 174.700 0.176 0.000 1.019 126 T CA -0.682 61.556 62.100 0.229 0.000 1.010 126 T CB 2.370 71.305 68.868 0.112 0.000 1.022 126 T HN 0.009 nan 8.240 nan 0.000 0.466 127 M N 0.864 120.541 119.600 0.129 0.000 2.229 127 M HA 0.018 4.498 4.480 0.000 0.000 0.264 127 M C 2.343 178.576 176.300 -0.112 0.000 1.063 127 M CA 1.418 56.607 55.300 -0.185 0.000 1.114 127 M CB -0.212 32.353 32.600 -0.058 0.000 1.387 127 M HN 0.748 nan 8.290 nan 0.000 0.420 128 R N 0.706 121.194 120.500 -0.019 0.000 2.105 128 R HA -0.147 4.193 4.340 0.000 0.000 0.239 128 R C 1.574 177.862 176.300 -0.019 0.000 1.135 128 R CA 2.096 58.188 56.100 -0.012 0.000 0.967 128 R CB -0.342 29.962 30.300 0.007 0.000 0.861 128 R HN 0.537 nan 8.270 nan 0.000 0.442 129 E N -1.093 119.100 120.200 -0.012 0.000 2.170 129 E HA -0.075 4.275 4.350 0.000 0.000 0.191 129 E C 1.805 178.387 176.600 -0.030 0.000 0.981 129 E CA 0.955 57.351 56.400 -0.005 0.000 0.830 129 E CB 0.052 29.766 29.700 0.023 0.000 0.775 129 E HN 0.125 nan 8.360 nan 0.000 0.470 130 V N 1.168 121.032 119.914 -0.083 0.000 2.591 130 V HA -0.038 4.082 4.120 0.000 0.000 0.249 130 V C 0.888 176.916 176.094 -0.111 0.000 1.053 130 V CA 0.800 63.027 62.300 -0.122 0.000 1.068 130 V CB 0.051 31.701 31.823 -0.288 0.000 0.689 130 V HN 0.066 nan 8.190 nan 0.000 0.462 131 L N 0.674 121.842 121.223 -0.092 0.000 2.399 131 L HA 0.401 4.741 4.340 0.000 0.000 0.265 131 L C -2.143 174.721 176.870 -0.009 0.000 1.089 131 L CA -1.972 52.851 54.840 -0.028 0.000 0.802 131 L CB 0.641 42.707 42.059 0.011 0.000 1.180 131 L HN 0.024 nan 8.230 nan 0.000 0.454 132 P HA -0.050 nan 4.420 nan 0.000 0.269 132 P C 0.025 177.318 177.300 -0.011 0.000 1.217 132 P CA -0.111 62.994 63.100 0.008 0.000 0.783 132 P CB 0.467 32.182 31.700 0.025 0.000 0.898 133 Q N 1.515 121.299 119.800 -0.026 0.000 2.181 133 Q HA -0.159 4.181 4.340 0.000 0.000 0.205 133 Q C 1.926 177.876 176.000 -0.085 0.000 0.980 133 Q CA 2.193 57.972 55.803 -0.040 0.000 0.862 133 Q CB -0.934 27.805 28.738 0.001 0.000 0.905 133 Q HN 0.700 nan 8.270 nan 0.000 0.429 134 G N -0.277 108.430 108.800 -0.155 0.000 2.598 134 G HA2 -0.158 3.802 3.960 0.000 0.000 0.215 134 G HA3 -0.158 3.802 3.960 0.000 0.000 0.215 134 G C 0.457 175.347 174.900 -0.016 0.000 1.131 134 G CA 0.663 45.690 45.100 -0.122 0.000 0.785 134 G HN 0.346 nan 8.290 nan 0.000 0.539 135 D N 0.786 121.192 120.400 0.011 0.000 2.342 135 D HA 0.047 4.687 4.640 0.000 0.000 0.221 135 D C 1.799 178.116 176.300 0.029 0.000 1.101 135 D CA 0.261 54.303 54.000 0.070 0.000 0.837 135 D CB 0.210 41.049 40.800 0.064 0.000 0.938 135 D HN 0.393 nan 8.370 nan 0.000 0.508 136 D N 0.658 121.042 120.400 -0.026 0.000 2.104 136 D HA -0.191 4.449 4.640 0.000 0.000 0.194 136 D C 2.034 178.271 176.300 -0.105 0.000 0.994 136 D CA 1.482 55.458 54.000 -0.041 0.000 0.830 136 D CB -0.877 39.913 40.800 -0.017 0.000 0.959 136 D HN 0.257 nan 8.370 nan 0.000 0.452 137 V N -2.556 117.206 119.914 -0.252 0.000 2.759 137 V HA -0.074 4.046 4.120 0.000 0.000 0.256 137 V C 2.217 177.972 176.094 -0.564 0.000 1.080 137 V CA 1.023 63.053 62.300 -0.449 0.000 1.101 137 V CB -1.228 30.166 31.823 -0.716 0.000 0.698 137 V HN -0.035 nan 8.190 nan 0.000 0.477 138 F N 0.086 119.843 119.950 -0.321 0.000 2.473 138 F HA 0.196 4.723 4.527 0.000 0.000 0.294 138 F C 2.310 178.047 175.800 -0.104 0.000 1.103 138 F CA 0.946 58.711 58.000 -0.391 0.000 1.442 138 F CB -0.476 38.150 39.000 -0.624 0.000 1.097 138 F HN -0.026 nan 8.300 nan 0.000 0.547 139 V N 0.086 120.040 119.914 0.066 0.000 2.307 139 V HA -0.243 3.877 4.120 0.000 0.000 0.245 139 V C 2.043 178.171 176.094 0.055 0.000 1.045 139 V CA 1.883 64.223 62.300 0.067 0.000 1.024 139 V CB -0.582 31.258 31.823 0.028 0.000 0.651 139 V HN 0.281 nan 8.190 nan 0.000 0.449 140 E N 0.400 120.604 120.200 0.006 0.000 2.204 140 E HA -0.135 4.215 4.350 0.000 0.000 0.195 140 E C 2.121 178.738 176.600 0.028 0.000 0.990 140 E CA 1.115 57.516 56.400 0.001 0.000 0.821 140 E CB -0.325 29.353 29.700 -0.037 0.000 0.750 140 E HN 0.644 nan 8.360 nan 0.000 0.477 141 G N -0.338 108.503 108.800 0.068 0.000 2.985 141 G HA2 0.166 4.126 3.960 0.000 0.000 0.209 141 G HA3 0.166 4.126 3.960 0.000 0.000 0.209 141 G C 1.000 176.033 174.900 0.222 0.000 1.165 141 G CA 0.161 45.361 45.100 0.166 0.000 0.776 141 G HN 0.366 nan 8.290 nan 0.000 0.541 142 G N -1.182 107.736 108.800 0.197 0.000 2.137 142 G HA2 -0.292 3.668 3.960 0.000 0.000 0.237 142 G HA3 -0.292 3.668 3.960 0.000 0.000 0.237 142 G C 0.094 175.080 174.900 0.142 0.000 1.002 142 G CA -0.046 45.132 45.100 0.131 0.000 0.702 142 G HN 0.351 nan 8.290 nan 0.000 0.515 143 Y N -0.393 119.940 120.300 0.056 0.000 2.326 143 Y HA 0.576 5.126 4.550 0.000 0.000 0.333 143 Y C 1.518 177.427 175.900 0.014 0.000 1.240 143 Y CA -0.626 57.499 58.100 0.042 0.000 1.365 143 Y CB 0.573 39.074 38.460 0.068 0.000 1.289 143 Y HN 0.168 nan 8.280 nan 0.000 0.548 144 I N 3.022 123.667 120.570 0.125 0.000 2.396 144 I HA 0.279 4.449 4.170 0.000 0.000 0.292 144 I C -0.103 176.049 176.117 0.058 0.000 0.999 144 I CA -0.641 60.701 61.300 0.070 0.000 1.310 144 I CB 1.123 39.139 38.000 0.027 0.000 1.404 144 I HN 0.401 nan 8.210 nan 0.000 0.496 145 R N 5.030 125.548 120.500 0.030 0.000 2.514 145 R HA 0.679 5.019 4.340 0.000 0.000 0.301 145 R C -1.663 174.612 176.300 -0.041 0.000 0.962 145 R CA -0.480 55.597 56.100 -0.038 0.000 0.882 145 R CB 1.495 31.795 30.300 -0.001 0.000 1.143 145 R HN 0.392 nan 8.270 nan 0.000 0.452 146 V N 5.250 125.070 119.914 -0.157 0.000 2.531 146 V HA 0.537 4.657 4.120 0.000 0.000 0.301 146 V C -1.062 174.878 176.094 -0.257 0.000 1.034 146 V CA -0.624 61.611 62.300 -0.107 0.000 0.865 146 V CB 1.591 33.372 31.823 -0.070 0.000 0.995 146 V HN 0.620 nan 8.190 nan 0.000 0.424 147 F N 2.900 122.843 119.950 -0.011 0.000 2.507 147 F HA 0.626 5.153 4.527 0.000 0.000 0.325 147 F C 0.098 175.900 175.800 0.004 0.000 1.116 147 F CA -0.289 57.716 58.000 0.009 0.000 0.930 147 F CB 2.015 41.028 39.000 0.021 0.000 1.146 147 F HN 0.415 nan 8.300 nan 0.000 0.447 148 Q N 2.848 122.766 119.800 0.196 0.000 2.337 148 Q HA 0.274 4.614 4.340 0.000 0.000 0.270 148 Q C -1.608 174.493 176.000 0.168 0.000 1.043 148 Q CA -0.982 54.900 55.803 0.131 0.000 0.794 148 Q CB 1.768 30.541 28.738 0.058 0.000 1.281 148 Q HN 0.488 nan 8.270 nan 0.000 0.446 149 D N 4.248 124.762 120.400 0.191 0.000 2.371 149 D HA 0.156 4.796 4.640 0.000 0.000 0.256 149 D C 0.464 176.847 176.300 0.139 0.000 1.193 149 D CA 0.117 54.221 54.000 0.172 0.000 0.881 149 D CB 0.443 41.370 40.800 0.212 0.000 1.143 149 D HN 0.537 nan 8.370 nan 0.000 0.473 150 I N -0.840 119.804 120.570 0.124 0.000 3.060 150 I HA 0.189 4.359 4.170 0.000 0.000 0.285 150 I C 0.841 177.051 176.117 0.156 0.000 1.190 150 I CA -0.871 60.523 61.300 0.156 0.000 1.363 150 I CB 0.661 38.789 38.000 0.213 0.000 1.396 150 I HN 0.156 nan 8.210 nan 0.000 0.607 151 R N 2.846 123.457 120.500 0.185 0.000 2.494 151 R HA 0.081 4.421 4.340 0.000 0.000 0.291 151 R C 1.032 177.463 176.300 0.218 0.000 0.953 151 R CA 1.334 57.540 56.100 0.178 0.000 1.098 151 R CB -0.339 30.068 30.300 0.178 0.000 0.911 151 R HN 1.159 nan 8.270 nan 0.000 0.407 152 G N 2.978 111.866 108.800 0.146 0.000 2.179 152 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 152 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 152 G C -0.346 174.547 174.900 -0.013 0.000 0.977 152 G CA 0.278 45.455 45.100 0.128 0.000 0.641 152 G HN 0.523 nan 8.290 nan 0.000 0.533 153 K N -0.716 119.649 120.400 -0.058 0.000 2.259 153 K HA 0.655 4.975 4.320 0.000 0.000 0.249 153 K C 1.023 177.611 176.600 -0.021 0.000 0.942 153 K CA -0.810 55.370 56.287 -0.178 0.000 0.816 153 K CB 1.369 33.727 32.500 -0.238 0.000 1.155 153 K HN 0.149 nan 8.250 nan 0.000 0.428 154 Y N 0.279 120.501 120.300 -0.131 0.000 2.746 154 Y HA -0.455 4.095 4.550 0.000 0.000 0.475 154 Y C 1.848 177.667 175.900 -0.135 0.000 1.088 154 Y CA 2.205 60.228 58.100 -0.128 0.000 2.897 154 Y CB -1.487 36.894 38.460 -0.132 0.000 1.110 154 Y HN 0.817 nan 8.280 nan 0.000 0.609 155 G N -0.312 108.491 108.800 0.004 0.000 2.813 155 G HA2 0.190 4.150 3.960 0.000 0.000 0.209 155 G HA3 0.190 4.150 3.960 0.000 0.000 0.209 155 G C 0.222 175.152 174.900 0.050 0.000 1.150 155 G CA 0.721 45.750 45.100 -0.117 0.000 0.785 155 G HN 0.299 nan 8.290 nan 0.000 0.535 156 S N 0.209 115.963 115.700 0.091 0.000 2.610 156 S HA 0.382 4.852 4.470 0.000 0.000 0.273 156 S C 0.272 174.907 174.600 0.058 0.000 1.274 156 S CA -0.507 57.751 58.200 0.097 0.000 1.023 156 S CB 1.531 64.796 63.200 0.109 0.000 0.962 156 S HN 0.430 nan 8.310 nan 0.000 0.523 157 Q N 0.231 120.065 119.800 0.057 0.000 2.189 157 Q HA 0.639 4.979 4.340 0.000 0.000 0.193 157 Q C 0.654 176.689 176.000 0.059 0.000 1.034 157 Q CA -0.247 55.583 55.803 0.046 0.000 1.062 157 Q CB 0.506 29.268 28.738 0.041 0.000 1.118 157 Q HN 0.972 nan 8.270 nan 0.000 0.569 158 G N 0.449 109.282 108.800 0.055 0.000 2.710 158 G HA2 -0.145 3.816 3.960 0.000 0.000 0.668 158 G HA3 -0.145 3.816 3.960 0.000 0.000 0.668 158 G C -1.573 173.376 174.900 0.081 0.000 1.320 158 G CA -0.793 44.349 45.100 0.069 0.000 0.860 158 G HN 0.549 nan 8.290 nan 0.000 0.538 159 D N -0.197 120.257 120.400 0.091 0.000 2.198 159 D HA 0.461 5.101 4.640 0.000 0.000 0.245 159 D C -0.273 176.121 176.300 0.156 0.000 1.079 159 D CA 0.039 54.100 54.000 0.101 0.000 0.854 159 D CB 1.346 42.187 40.800 0.068 0.000 1.148 159 D HN 0.500 nan 8.370 nan 0.000 0.456 160 Y N 2.016 122.339 120.300 0.039 0.000 2.327 160 Y HA 0.369 4.919 4.550 0.000 0.000 0.336 160 Y C -0.829 175.116 175.900 0.075 0.000 1.035 160 Y CA -0.414 57.718 58.100 0.053 0.000 1.165 160 Y CB 0.713 39.185 38.460 0.020 0.000 1.181 160 Y HN 0.055 nan 8.280 nan 0.000 0.494 161 V N 8.430 127.994 119.914 -0.584 0.000 2.407 161 V HA 0.162 4.282 4.120 0.000 0.000 0.291 161 V C -0.095 175.579 176.094 -0.701 0.000 1.018 161 V CA -1.024 60.994 62.300 -0.470 0.000 0.842 161 V CB 1.235 32.988 31.823 -0.116 0.000 0.996 161 V HN 0.882 nan 8.190 nan 0.000 0.426 162 M N 5.892 125.106 119.600 -0.644 0.000 2.338 162 M HA 0.140 4.620 4.480 0.000 0.000 0.360 162 M C 0.964 177.176 176.300 -0.146 0.000 1.547 162 M CA 1.002 56.049 55.300 -0.422 0.000 1.001 162 M CB -0.561 31.534 32.600 -0.841 0.000 2.008 162 M HN 1.155 nan 8.290 nan 0.000 0.464 163 T N 2.493 117.003 114.554 -0.072 0.000 3.549 163 T HA -0.258 4.092 4.350 0.000 0.000 0.398 163 T C 0.128 174.859 174.700 0.052 0.000 0.766 163 T CA 0.949 62.830 62.100 -0.364 0.000 2.007 163 T CB -1.641 66.978 68.868 -0.415 0.000 1.727 163 T HN 0.986 nan 8.240 nan 0.000 0.693 164 R N 1.686 122.300 120.500 0.190 0.000 2.526 164 R HA 0.133 4.473 4.340 0.000 0.000 0.319 164 R C -2.034 174.425 176.300 0.265 0.000 0.888 164 R CA -0.905 55.316 56.100 0.202 0.000 1.127 164 R CB 0.195 30.619 30.300 0.206 0.000 0.888 164 R HN 0.351 nan 8.270 nan 0.000 0.410 165 P HA 0.098 nan 4.420 nan 0.000 0.272 165 P C -2.453 174.919 177.300 0.120 0.000 1.223 165 P CA -1.143 62.028 63.100 0.118 0.000 0.784 165 P CB 0.338 32.040 31.700 0.003 0.000 0.923 166 P HA 0.039 nan 4.420 nan 0.000 0.273 166 P C -0.331 177.031 177.300 0.103 0.000 1.250 166 P CA -0.043 63.121 63.100 0.107 0.000 0.793 166 P CB 0.157 31.912 31.700 0.092 0.000 1.011 167 H N -0.359 118.731 119.070 0.032 0.000 3.094 167 H HA 0.365 4.921 4.556 0.000 0.000 0.320 167 H C 0.824 176.159 175.328 0.013 0.000 1.000 167 H CA 2.382 58.442 56.048 0.020 0.000 1.413 167 H CB -0.490 29.280 29.762 0.013 0.000 1.405 167 H HN 0.788 nan 8.280 nan 0.000 0.586 168 G N 3.723 112.241 108.800 -0.470 0.000 2.368 168 G HA2 -0.070 3.890 3.960 0.000 0.000 0.269 168 G HA3 -0.070 3.890 3.960 0.000 0.000 0.269 168 G C -2.072 172.680 174.900 -0.247 0.000 1.291 168 G CA -0.350 44.559 45.100 -0.317 0.000 0.903 168 G HN 0.465 nan 8.290 nan 0.000 0.483 169 P HA 0.013 nan 4.420 nan 0.000 0.216 169 P C 1.741 178.988 177.300 -0.088 0.000 1.150 169 P CA 1.088 64.123 63.100 -0.107 0.000 0.837 169 P CB 0.091 31.741 31.700 -0.084 0.000 0.786 170 L N -1.881 119.289 121.223 -0.089 0.000 2.591 170 L HA 0.155 4.495 4.340 0.000 0.000 0.228 170 L C 0.729 177.580 176.870 -0.031 0.000 1.133 170 L CA 0.264 55.068 54.840 -0.059 0.000 0.880 170 L CB -0.528 41.467 42.059 -0.105 0.000 1.033 170 L HN 0.028 nan 8.230 nan 0.000 0.450 171 N N -0.002 118.667 118.700 -0.051 0.000 2.969 171 N HA 0.129 4.869 4.740 0.000 0.000 0.230 171 N C -2.430 173.054 175.510 -0.044 0.000 1.397 171 N CA -1.082 51.964 53.050 -0.007 0.000 0.762 171 N CB 1.265 39.777 38.487 0.041 0.000 1.495 171 N HN -0.264 nan 8.380 nan 0.000 0.583 172 P HA 0.065 nan 4.420 nan 0.000 0.249 172 P C 0.435 177.816 177.300 0.134 0.000 1.229 172 P CA 0.286 63.376 63.100 -0.016 0.000 0.788 172 P CB -0.124 31.569 31.700 -0.012 0.000 1.072 173 T N -2.395 112.246 114.554 0.146 0.000 2.732 173 T HA 0.194 4.544 4.350 0.000 0.000 0.287 173 T C 1.194 175.989 174.700 0.158 0.000 0.993 173 T CA -0.393 61.786 62.100 0.132 0.000 0.966 173 T CB 0.864 69.788 68.868 0.093 0.000 1.047 173 T HN -0.176 nan 8.240 nan 0.000 0.527 174 K N 0.570 121.006 120.400 0.060 0.000 2.444 174 K HA 0.117 4.437 4.320 0.000 0.000 0.193 174 K C 1.073 177.656 176.600 -0.028 0.000 1.024 174 K CA 0.331 56.602 56.287 -0.026 0.000 1.077 174 K CB -0.189 32.294 32.500 -0.027 0.000 0.833 174 K HN 0.910 nan 8.250 nan 0.000 0.517 175 T N -0.654 113.921 114.554 0.036 0.000 2.906 175 T HA 0.535 4.885 4.350 0.000 0.000 0.295 175 T C -0.895 173.859 174.700 0.089 0.000 1.075 175 T CA -0.872 61.257 62.100 0.048 0.000 1.005 175 T CB 2.654 71.557 68.868 0.059 0.000 1.136 175 T HN 0.056 nan 8.240 nan 0.000 0.498 176 D N -0.517 119.940 120.400 0.095 0.000 2.838 176 D HA 0.290 4.930 4.640 0.000 0.000 0.334 176 D C 0.548 176.924 176.300 0.128 0.000 1.315 176 D CA -0.684 53.388 54.000 0.121 0.000 0.917 176 D CB 0.116 40.991 40.800 0.125 0.000 1.435 176 D HN 0.353 nan 8.370 nan 0.000 0.517 177 E N -0.560 119.722 120.200 0.138 0.000 2.268 177 E HA -0.041 4.309 4.350 0.000 0.000 0.195 177 E C 1.446 178.103 176.600 0.095 0.000 0.995 177 E CA 1.213 57.691 56.400 0.131 0.000 0.836 177 E CB -0.389 29.384 29.700 0.122 0.000 0.763 177 E HN 0.570 nan 8.360 nan 0.000 0.491 178 T N 0.532 115.137 114.554 0.085 0.000 2.896 178 T HA -0.098 4.252 4.350 0.000 0.000 0.263 178 T C 2.112 176.908 174.700 0.161 0.000 1.050 178 T CA 1.831 63.992 62.100 0.103 0.000 1.140 178 T CB -0.229 68.692 68.868 0.087 0.000 0.877 178 T HN 0.400 nan 8.240 nan 0.000 0.457 179 T N 0.520 115.152 114.554 0.130 0.000 2.896 179 T HA -0.081 4.269 4.350 0.000 0.000 0.263 179 T C 1.576 176.402 174.700 0.210 0.000 1.050 179 T CA 0.939 63.127 62.100 0.146 0.000 1.140 179 T CB -0.412 68.483 68.868 0.045 0.000 0.877 179 T HN 0.104 nan 8.240 nan 0.000 0.457 180 D N 2.183 122.681 120.400 0.163 0.000 2.123 180 D HA 0.006 4.646 4.640 0.000 0.000 0.196 180 D C 2.411 178.810 176.300 0.165 0.000 0.992 180 D CA 1.541 55.634 54.000 0.155 0.000 0.833 180 D CB -0.605 40.277 40.800 0.137 0.000 0.954 180 D HN 0.584 nan 8.370 nan 0.000 0.455 181 A N -0.360 122.560 122.820 0.167 0.000 1.969 181 A HA -0.124 4.196 4.320 0.000 0.000 0.218 181 A C 2.131 179.812 177.584 0.162 0.000 1.169 181 A CA 0.936 53.054 52.037 0.135 0.000 0.635 181 A CB -0.986 18.083 19.000 0.114 0.000 0.810 181 A HN 0.356 nan 8.150 nan 0.000 0.445 182 W N 1.133 122.483 121.300 0.082 0.000 2.378 182 W HA -0.144 4.516 4.660 0.000 0.000 0.313 182 W C 1.476 178.071 176.519 0.127 0.000 1.197 182 W CA 1.866 59.292 57.345 0.135 0.000 1.304 182 W CB 0.039 29.577 29.460 0.130 0.000 1.148 182 W HN 0.358 nan 8.180 nan 0.000 0.494 183 D N -0.782 119.925 120.400 0.512 0.000 2.144 183 D HA -0.170 4.470 4.640 0.000 0.000 0.199 183 D C 2.107 178.517 176.300 0.182 0.000 0.984 183 D CA 2.107 56.336 54.000 0.382 0.000 0.834 183 D CB -0.884 40.093 40.800 0.296 0.000 0.955 183 D HN 0.147 nan 8.370 nan 0.000 0.465 184 T N 0.565 115.186 114.554 0.112 0.000 2.674 184 T HA -0.088 4.262 4.350 0.000 0.000 0.265 184 T C 2.262 176.968 174.700 0.008 0.000 1.039 184 T CA 0.810 62.945 62.100 0.057 0.000 1.150 184 T CB -0.359 68.525 68.868 0.028 0.000 0.864 184 T HN -0.027 nan 8.240 nan 0.000 0.427 185 V N 1.759 121.589 119.914 -0.140 0.000 2.490 185 V HA -0.175 3.945 4.120 0.000 0.000 0.250 185 V C 2.336 178.101 176.094 -0.548 0.000 1.061 185 V CA 1.854 63.949 62.300 -0.341 0.000 1.064 185 V CB -0.609 30.942 31.823 -0.453 0.000 0.670 185 V HN 0.463 nan 8.190 nan 0.000 0.461 186 D N -1.302 118.754 120.400 -0.574 0.000 2.097 186 D HA -0.232 4.408 4.640 0.000 0.000 0.197 186 D C 1.859 178.180 176.300 0.035 0.000 0.984 186 D CA 1.411 55.187 54.000 -0.373 0.000 0.826 186 D CB -0.207 40.532 40.800 -0.102 0.000 0.973 186 D HN 0.537 nan 8.370 nan 0.000 0.460 187 W N 0.748 122.008 121.300 -0.067 0.000 2.358 187 W HA -0.114 4.546 4.660 0.000 0.000 0.303 187 W C 1.988 178.495 176.519 -0.020 0.000 1.208 187 W CA 1.258 58.600 57.345 -0.005 0.000 1.274 187 W CB -0.287 29.168 29.460 -0.007 0.000 1.138 187 W HN 0.005 nan 8.180 nan 0.000 0.515 188 L N 0.197 121.576 121.223 0.260 0.000 1.989 188 L HA -0.265 4.075 4.340 0.000 0.000 0.211 188 L C 2.534 179.332 176.870 -0.120 0.000 1.071 188 L CA 1.851 56.761 54.840 0.115 0.000 0.749 188 L CB -1.590 40.516 42.059 0.079 0.000 0.890 188 L HN 0.074 nan 8.230 nan 0.000 0.431 189 V N -3.772 116.037 119.914 -0.174 0.000 2.913 189 V HA -0.226 3.894 4.120 0.000 0.000 0.260 189 V C 1.617 177.482 176.094 -0.382 0.000 1.098 189 V CA 1.612 63.752 62.300 -0.268 0.000 1.121 189 V CB -1.005 30.637 31.823 -0.302 0.000 0.714 189 V HN 0.477 nan 8.190 nan 0.000 0.487 190 H N 0.230 119.136 119.070 -0.272 0.000 2.622 190 H HA 0.368 4.924 4.556 0.000 0.000 0.269 190 H C 1.063 176.133 175.328 -0.429 0.000 0.977 190 H CA 0.756 56.628 56.048 -0.295 0.000 1.179 190 H CB 0.234 29.841 29.762 -0.258 0.000 1.458 190 H HN 0.541 nan 8.280 nan 0.000 0.531 191 N N -0.433 117.953 118.700 -0.523 0.000 2.240 191 N HA 0.161 4.901 4.740 0.000 0.000 0.240 191 N C -1.195 174.067 175.510 -0.413 0.000 1.277 191 N CA 0.082 52.720 53.050 -0.686 0.000 0.873 191 N CB 2.245 39.704 38.487 -1.713 0.000 1.222 191 N HN -0.108 nan 8.380 nan 0.000 0.507 192 V N 1.921 121.689 119.914 -0.244 0.000 2.380 192 V HA 0.273 4.393 4.120 0.000 0.000 0.268 192 V C -1.856 174.178 176.094 -0.100 0.000 1.008 192 V CA -1.186 61.047 62.300 -0.110 0.000 0.823 192 V CB 1.560 33.356 31.823 -0.045 0.000 1.053 192 V HN -0.028 nan 8.190 nan 0.000 0.446 193 P HA -0.093 nan 4.420 nan 0.000 0.221 193 P C 1.088 178.351 177.300 -0.061 0.000 1.145 193 P CA 0.963 64.017 63.100 -0.076 0.000 0.795 193 P CB 0.464 32.128 31.700 -0.060 0.000 0.775 194 E N -0.490 119.682 120.200 -0.046 0.000 2.358 194 E HA -0.023 4.327 4.350 0.000 0.000 0.195 194 E C 0.951 177.519 176.600 -0.053 0.000 1.010 194 E CA 0.280 56.656 56.400 -0.039 0.000 0.856 194 E CB -0.430 29.259 29.700 -0.017 0.000 0.795 194 E HN 0.337 nan 8.360 nan 0.000 0.504 195 S N 0.886 116.546 115.700 -0.067 0.000 2.693 195 S HA 0.168 4.638 4.470 0.000 0.000 0.276 195 S C 0.781 175.322 174.600 -0.098 0.000 1.192 195 S CA -0.640 57.509 58.200 -0.084 0.000 0.994 195 S CB 0.857 64.007 63.200 -0.084 0.000 1.012 195 S HN 0.171 nan 8.310 nan 0.000 0.550 196 N N -0.376 118.258 118.700 -0.111 0.000 2.270 196 N HA 0.203 4.943 4.740 0.000 0.000 0.198 196 N C 1.132 176.572 175.510 -0.116 0.000 1.117 196 N CA 0.362 53.346 53.050 -0.110 0.000 0.845 196 N CB -0.361 38.059 38.487 -0.112 0.000 0.980 196 N HN 1.335 nan 8.380 nan 0.000 0.486 197 G N 0.380 109.104 108.800 -0.127 0.000 2.162 197 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 197 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 197 G C -0.390 174.435 174.900 -0.125 0.000 0.976 197 G CA -0.062 44.952 45.100 -0.143 0.000 0.655 197 G HN 0.427 nan 8.290 nan 0.000 0.533 198 R N -0.127 120.304 120.500 -0.114 0.000 2.393 198 R HA 0.661 5.001 4.340 0.000 0.000 0.310 198 R C -0.511 175.728 176.300 -0.102 0.000 0.968 198 R CA -0.609 55.429 56.100 -0.103 0.000 0.867 198 R CB 2.260 32.501 30.300 -0.099 0.000 1.124 198 R HN 0.157 nan 8.270 nan 0.000 0.450 199 V N 0.940 120.791 119.914 -0.104 0.000 2.680 199 V HA 0.688 4.808 4.120 0.000 0.000 0.309 199 V C 0.369 176.392 176.094 -0.119 0.000 1.052 199 V CA -0.873 61.369 62.300 -0.096 0.000 0.908 199 V CB 2.225 33.984 31.823 -0.107 0.000 1.001 199 V HN 0.939 nan 8.190 nan 0.000 0.431 200 G N 3.271 112.017 108.800 -0.090 0.000 2.513 200 G HA2 0.723 4.683 3.960 0.000 0.000 0.317 200 G HA3 0.723 4.683 3.960 0.000 0.000 0.317 200 G C -1.083 173.832 174.900 0.025 0.000 1.277 200 G CA -0.683 44.326 45.100 -0.151 0.000 0.955 200 G HN 0.515 nan 8.290 nan 0.000 0.484 201 M N 1.406 121.042 119.600 0.061 0.000 2.364 201 M HA 0.562 5.042 4.480 0.000 0.000 0.334 201 M C -0.124 176.287 176.300 0.185 0.000 1.107 201 M CA -0.529 54.817 55.300 0.078 0.000 0.988 201 M CB 2.631 35.243 32.600 0.020 0.000 1.673 201 M HN 0.585 nan 8.290 nan 0.000 0.441 202 T N 1.168 115.781 114.554 0.098 0.000 2.754 202 T HA 0.928 5.278 4.350 0.000 0.000 0.296 202 T C -1.217 173.517 174.700 0.057 0.000 1.205 202 T CA -0.062 62.096 62.100 0.097 0.000 1.009 202 T CB 2.151 71.103 68.868 0.139 0.000 1.368 202 T HN 0.997 nan 8.240 nan 0.000 0.509 203 G N 0.792 109.637 108.800 0.075 0.000 2.329 203 G HA2 0.415 4.375 3.960 0.000 0.000 0.308 203 G HA3 0.415 4.375 3.960 0.000 0.000 0.308 203 G C -1.243 173.736 174.900 0.132 0.000 1.587 203 G CA 0.027 45.200 45.100 0.122 0.000 0.978 203 G HN 0.776 nan 8.290 nan 0.000 0.685 204 S N 0.026 115.824 115.700 0.162 0.000 2.578 204 S HA 0.863 5.333 4.470 0.000 0.000 0.301 204 S C 1.013 175.772 174.600 0.264 0.000 1.091 204 S CA 1.282 59.567 58.200 0.141 0.000 1.032 204 S CB 1.492 64.708 63.200 0.027 0.000 1.064 204 S HN 2.454 nan 8.310 nan 0.000 0.508 205 S N 1.971 117.851 115.700 0.300 0.000 4.140 205 S HA -0.325 4.145 4.470 0.000 0.000 0.618 205 S C 0.869 175.747 174.600 0.464 0.000 1.896 205 S CA 1.543 60.023 58.200 0.466 0.000 4.240 205 S CB -1.930 61.639 63.200 0.615 0.000 0.208 205 S HN 0.993 nan 8.310 nan 0.000 0.487 206 Y N 2.211 122.767 120.300 0.426 0.000 2.293 206 Y HA 0.016 4.566 4.550 0.000 0.000 0.291 206 Y C 2.464 178.601 175.900 0.395 0.000 1.137 206 Y CA 2.013 60.337 58.100 0.375 0.000 1.202 206 Y CB -0.165 38.470 38.460 0.292 0.000 0.990 206 Y HN 0.603 nan 8.280 nan 0.000 0.537 207 E N -0.789 119.762 120.200 0.585 0.000 2.204 207 E HA -0.163 4.187 4.350 0.000 0.000 0.195 207 E C 2.227 179.023 176.600 0.327 0.000 0.990 207 E CA 0.801 57.454 56.400 0.421 0.000 0.821 207 E CB -0.244 29.674 29.700 0.364 0.000 0.750 207 E HN 0.621 nan 8.360 nan 0.000 0.477 208 G N 0.617 109.614 108.800 0.329 0.000 2.453 208 G HA2 -0.214 3.746 3.960 0.000 0.000 0.215 208 G HA3 -0.214 3.746 3.960 0.000 0.000 0.215 208 G C 1.298 176.360 174.900 0.269 0.000 1.147 208 G CA -0.010 45.238 45.100 0.246 0.000 0.802 208 G HN 0.268 nan 8.290 nan 0.000 0.535 209 F N 3.118 123.172 119.950 0.174 0.000 2.171 209 F HA -0.140 4.387 4.527 0.000 0.000 0.300 209 F C 2.839 178.726 175.800 0.146 0.000 1.090 209 F CA 2.264 60.339 58.000 0.124 0.000 1.293 209 F CB -0.506 38.477 39.000 -0.029 0.000 1.013 209 F HN 0.177 nan 8.300 nan 0.000 0.486 210 T N -2.062 112.579 114.554 0.145 0.000 2.915 210 T HA -0.113 4.237 4.350 0.000 0.000 0.269 210 T C 1.959 176.652 174.700 -0.012 0.000 1.071 210 T CA 1.343 63.465 62.100 0.036 0.000 1.132 210 T CB -1.204 67.811 68.868 0.244 0.000 0.878 210 T HN 0.179 nan 8.240 nan 0.000 0.479 211 V N 1.362 121.295 119.914 0.032 0.000 2.270 211 V HA -0.116 4.004 4.120 0.000 0.000 0.245 211 V C 2.932 179.012 176.094 -0.023 0.000 1.043 211 V CA 1.335 63.637 62.300 0.004 0.000 1.014 211 V CB -0.777 31.043 31.823 -0.005 0.000 0.645 211 V HN 0.371 nan 8.190 nan 0.000 0.447 212 V N -0.280 119.630 119.914 -0.007 0.000 2.324 212 V HA -0.338 3.782 4.120 0.000 0.000 0.250 212 V C 2.571 178.659 176.094 -0.010 0.000 1.060 212 V CA 2.076 64.412 62.300 0.059 0.000 1.042 212 V CB -0.672 31.256 31.823 0.176 0.000 0.650 212 V HN 0.415 nan 8.190 nan 0.000 0.450 213 M N -0.193 119.302 119.600 -0.174 0.000 2.080 213 M HA -0.158 4.322 4.480 0.000 0.000 0.260 213 M C 2.447 178.732 176.300 -0.026 0.000 1.068 213 M CA 2.313 57.512 55.300 -0.168 0.000 1.109 213 M CB -1.453 30.937 32.600 -0.350 0.000 1.342 213 M HN 0.429 nan 8.290 nan 0.000 0.405 214 A N 0.130 122.948 122.820 -0.004 0.000 1.972 214 A HA -0.115 4.205 4.320 0.000 0.000 0.219 214 A C 2.201 179.829 177.584 0.073 0.000 1.169 214 A CA 1.190 53.260 52.037 0.055 0.000 0.635 214 A CB -0.937 18.089 19.000 0.044 0.000 0.810 214 A HN 0.502 nan 8.150 nan 0.000 0.446 215 L N -0.393 120.866 121.223 0.059 0.000 2.551 215 L HA -0.059 4.281 4.340 0.000 0.000 0.228 215 L C 2.020 178.951 176.870 0.102 0.000 1.153 215 L CA 0.176 55.066 54.840 0.083 0.000 0.851 215 L CB -0.342 41.779 42.059 0.102 0.000 0.959 215 L HN 0.398 nan 8.230 nan 0.000 0.451 216 L N -0.767 120.512 121.223 0.094 0.000 2.156 216 L HA -0.046 4.294 4.340 0.000 0.000 0.208 216 L C 0.379 177.306 176.870 0.095 0.000 1.095 216 L CA 0.838 55.733 54.840 0.092 0.000 0.770 216 L CB -0.045 42.061 42.059 0.078 0.000 0.914 216 L HN 0.209 nan 8.230 nan 0.000 0.439 217 D N -0.541 119.929 120.400 0.118 0.000 2.826 217 D HA 0.158 4.798 4.640 0.000 0.000 0.239 217 D C -2.598 173.854 176.300 0.253 0.000 1.329 217 D CA -1.274 52.814 54.000 0.146 0.000 0.854 217 D CB 1.016 41.877 40.800 0.101 0.000 1.494 217 D HN -0.143 nan 8.370 nan 0.000 0.540 218 P HA 0.124 nan 4.420 nan 0.000 0.275 218 P C -0.051 177.365 177.300 0.194 0.000 1.228 218 P CA -0.251 62.959 63.100 0.183 0.000 0.786 218 P CB 0.672 32.424 31.700 0.086 0.000 0.927 219 H N 4.502 123.517 119.070 -0.092 0.000 2.732 219 H HA 0.066 4.622 4.556 0.000 0.000 0.351 219 H C -1.231 173.986 175.328 -0.184 0.000 1.090 219 H CA -1.254 54.546 56.048 -0.414 0.000 1.431 219 H CB 0.865 30.164 29.762 -0.771 0.000 1.447 219 H HN 0.241 nan 8.280 nan 0.000 0.582 220 P HA -0.105 nan 4.420 nan 0.000 0.223 220 P C 0.735 178.029 177.300 -0.011 0.000 1.144 220 P CA 1.237 64.251 63.100 -0.144 0.000 0.783 220 P CB 0.042 31.626 31.700 -0.194 0.000 0.771 221 A N -0.819 122.119 122.820 0.196 0.000 2.208 221 A HA 0.065 4.385 4.320 0.000 0.000 0.209 221 A C 1.074 178.645 177.584 -0.021 0.000 1.161 221 A CA -0.030 52.054 52.037 0.079 0.000 0.782 221 A CB -0.827 18.193 19.000 0.033 0.000 0.816 221 A HN 0.179 nan 8.150 nan 0.000 0.477 222 L N 0.627 121.839 121.223 -0.018 0.000 2.385 222 L HA 0.289 4.629 4.340 0.000 0.000 0.285 222 L C 0.599 177.405 176.870 -0.106 0.000 1.125 222 L CA 0.058 54.855 54.840 -0.072 0.000 0.890 222 L CB 0.266 42.296 42.059 -0.047 0.000 1.251 222 L HN -0.013 nan 8.230 nan 0.000 0.445 223 K N 3.622 123.932 120.400 -0.149 0.000 2.379 223 K HA 0.312 4.632 4.320 0.000 0.000 0.194 223 K C -0.212 176.184 176.600 -0.341 0.000 1.031 223 K CA 0.279 56.452 56.287 -0.190 0.000 1.037 223 K CB 0.477 32.904 32.500 -0.123 0.000 0.824 223 K HN 0.397 nan 8.250 nan 0.000 0.516 224 V N -0.769 118.920 119.914 -0.375 0.000 3.177 224 V HA 0.644 4.764 4.120 0.000 0.000 0.287 224 V C -2.125 173.749 176.094 -0.368 0.000 1.465 224 V CA -0.733 61.267 62.300 -0.501 0.000 1.020 224 V CB 2.146 33.489 31.823 -0.799 0.000 1.152 224 V HN 0.130 nan 8.190 nan 0.000 0.448 225 A N 3.765 126.512 122.820 -0.122 0.000 2.515 225 A HA 1.034 5.354 4.320 0.000 0.000 0.298 225 A C -0.526 177.172 177.584 0.190 0.000 1.059 225 A CA -0.122 51.947 52.037 0.054 0.000 0.698 225 A CB 2.086 21.046 19.000 -0.067 0.000 1.289 225 A HN 2.353 nan 8.150 nan 0.000 0.404 226 A N 2.524 125.449 122.820 0.174 0.000 3.127 226 A HA 0.704 5.024 4.320 0.000 0.000 0.319 226 A C -3.123 174.366 177.584 -0.158 0.000 1.104 226 A CA -1.274 50.741 52.037 -0.037 0.000 0.802 226 A CB 0.377 19.315 19.000 -0.103 0.000 1.193 226 A HN 0.411 nan 8.150 nan 0.000 0.479 227 P HA 0.309 nan 4.420 nan 0.000 0.276 227 P C -0.470 176.794 177.300 -0.060 0.000 1.243 227 P CA 0.447 63.435 63.100 -0.186 0.000 0.768 227 P CB 0.725 32.203 31.700 -0.369 0.000 0.856 228 E N 1.482 121.693 120.200 0.019 0.000 2.151 228 E HA 0.269 4.619 4.350 0.000 0.000 0.275 228 E C -0.082 176.591 176.600 0.123 0.000 0.936 228 E CA -0.696 55.724 56.400 0.033 0.000 0.777 228 E CB 0.627 30.311 29.700 -0.026 0.000 1.108 228 E HN 0.243 nan 8.360 nan 0.000 0.401 229 S N 2.580 118.376 115.700 0.160 0.000 3.378 229 S HA -0.138 4.332 4.470 0.000 0.000 0.365 229 S C -2.163 172.623 174.600 0.310 0.000 0.951 229 S CA 0.209 58.556 58.200 0.244 0.000 1.274 229 S CB -1.456 61.880 63.200 0.228 0.000 0.915 229 S HN 0.469 nan 8.310 nan 0.000 0.513 230 P HA 0.257 nan 4.420 nan 0.000 0.276 230 P C -0.138 177.345 177.300 0.305 0.000 1.244 230 P CA -0.646 62.654 63.100 0.334 0.000 0.801 230 P CB 0.557 32.485 31.700 0.379 0.000 1.006 231 M N 2.207 121.972 119.600 0.275 0.000 2.193 231 M HA 0.098 4.578 4.480 0.000 0.000 0.342 231 M C 0.799 177.269 176.300 0.283 0.000 1.413 231 M CA -0.163 55.230 55.300 0.155 0.000 1.191 231 M CB 0.477 33.050 32.600 -0.046 0.000 1.633 231 M HN 0.116 nan 8.290 nan 0.000 0.458 232 V N 0.452 120.523 119.914 0.261 0.000 2.911 232 V HA 0.133 4.253 4.120 0.000 0.000 0.237 232 V C 0.194 176.451 176.094 0.271 0.000 1.156 232 V CA 0.854 63.343 62.300 0.315 0.000 1.180 232 V CB 0.521 32.549 31.823 0.342 0.000 0.932 232 V HN 0.751 nan 8.190 nan 0.000 0.483 233 D N -0.026 120.485 120.400 0.184 0.000 2.330 233 D HA 0.298 4.938 4.640 0.000 0.000 0.249 233 D C 0.942 177.209 176.300 -0.055 0.000 1.306 233 D CA 0.348 54.400 54.000 0.087 0.000 0.956 233 D CB 1.421 42.192 40.800 -0.047 0.000 1.261 233 D HN 0.186 nan 8.370 nan 0.000 0.544 234 G N 1.552 110.404 108.800 0.086 0.000 2.625 234 G HA2 -0.213 3.747 3.960 0.000 0.000 0.214 234 G HA3 -0.213 3.747 3.960 0.000 0.000 0.214 234 G C 1.030 175.919 174.900 -0.018 0.000 1.132 234 G CA 0.130 45.203 45.100 -0.046 0.000 0.782 234 G HN 0.525 nan 8.290 nan 0.000 0.538 235 W N -0.138 120.993 121.300 -0.282 0.000 2.630 235 W HA 0.258 4.918 4.660 0.000 0.000 0.275 235 W C 2.364 178.493 176.519 -0.649 0.000 1.192 235 W CA 0.221 57.294 57.345 -0.453 0.000 1.410 235 W CB 0.263 29.340 29.460 -0.639 0.000 1.075 235 W HN -0.025 nan 8.180 nan 0.000 0.581 236 M N -0.459 118.772 119.600 -0.615 0.000 2.156 236 M HA 0.160 4.640 4.480 0.000 0.000 0.264 236 M C 1.497 176.871 176.300 -1.544 0.000 1.067 236 M CA 1.875 56.383 55.300 -1.320 0.000 1.131 236 M CB -1.292 30.119 32.600 -1.982 0.000 1.368 236 M HN 0.248 nan 8.290 nan 0.000 0.416 237 G N -1.147 106.916 108.800 -1.228 0.000 5.371 237 G HA2 0.102 4.062 3.960 0.000 0.000 0.208 237 G HA3 0.102 4.062 3.960 0.000 0.000 0.208 237 G C -0.134 174.487 174.900 -0.466 0.000 0.815 237 G CA -0.370 44.151 45.100 -0.966 0.000 0.735 237 G HN 0.186 nan 8.290 nan 0.000 0.284 238 D N 0.185 120.418 120.400 -0.277 0.000 3.009 238 D HA 0.150 4.790 4.640 0.000 0.000 0.243 238 D C 0.991 177.191 176.300 -0.166 0.000 1.204 238 D CA -0.115 53.809 54.000 -0.127 0.000 1.171 238 D CB 0.609 41.337 40.800 -0.121 0.000 0.954 238 D HN -0.094 nan 8.370 nan 0.000 0.241 239 D N -0.575 119.538 120.400 -0.479 0.000 2.162 239 D HA -0.013 4.627 4.640 0.000 0.000 0.205 239 D C 2.237 178.205 176.300 -0.554 0.000 0.964 239 D CA 0.647 54.228 54.000 -0.698 0.000 0.847 239 D CB 0.115 40.151 40.800 -1.274 0.000 0.988 239 D HN 0.378 nan 8.370 nan 0.000 0.480 240 W N -0.038 121.176 121.300 -0.144 0.000 2.480 240 W HA 0.103 4.763 4.660 0.000 0.000 0.299 240 W C 0.577 176.706 176.519 -0.651 0.000 1.187 240 W CA -0.403 56.755 57.345 -0.312 0.000 1.347 240 W CB 0.015 29.452 29.460 -0.038 0.000 1.121 240 W HN -0.220 nan 8.180 nan 0.000 0.533 241 F N -1.481 118.426 119.950 -0.071 0.000 2.629 241 F HA 0.427 4.954 4.527 0.000 0.000 0.316 241 F C -0.319 175.347 175.800 -0.225 0.000 1.081 241 F CA -1.306 56.536 58.000 -0.264 0.000 0.954 241 F CB 1.270 39.757 39.000 -0.855 0.000 1.337 241 F HN -0.298 nan 8.300 nan 0.000 0.474 242 H N 1.365 120.310 119.070 -0.208 0.000 2.970 242 H HA 0.212 4.768 4.556 0.000 0.000 0.315 242 H C -1.147 173.903 175.328 -0.464 0.000 0.992 242 H CA -0.891 54.954 56.048 -0.339 0.000 1.363 242 H CB 0.823 30.551 29.762 -0.058 0.000 1.532 242 H HN 0.676 nan 8.280 nan 0.000 0.514 243 Y N 1.695 121.622 120.300 -0.622 0.000 3.305 243 Y HA -0.301 4.249 4.550 0.000 0.000 0.212 243 Y C 1.560 176.895 175.900 -0.940 0.000 1.248 243 Y CA 1.412 59.057 58.100 -0.758 0.000 1.359 243 Y CB -1.820 36.353 38.460 -0.478 0.000 1.407 243 Y HN 1.135 nan 8.280 nan 0.000 0.572 244 G N -2.082 105.819 108.800 -1.499 0.000 2.176 244 G HA2 -0.042 3.918 3.960 0.000 0.000 0.253 244 G HA3 -0.042 3.918 3.960 0.000 0.000 0.253 244 G C 0.320 175.121 174.900 -0.164 0.000 0.979 244 G CA -0.083 44.308 45.100 -1.181 0.000 0.641 244 G HN 1.581 nan 8.290 nan 0.000 0.530 245 A N 0.241 123.018 122.820 -0.072 0.000 2.276 245 A HA 0.676 4.996 4.320 0.000 0.000 0.300 245 A C -0.142 177.644 177.584 0.337 0.000 1.235 245 A CA -0.450 51.663 52.037 0.127 0.000 0.867 245 A CB 0.338 19.280 19.000 -0.097 0.000 1.137 245 A HN 1.237 nan 8.150 nan 0.000 0.527 246 F N 2.806 122.869 119.950 0.190 0.000 2.484 246 F HA 0.392 4.919 4.527 0.000 0.000 0.360 246 F C 0.725 176.437 175.800 -0.147 0.000 1.101 246 F CA -0.151 57.787 58.000 -0.103 0.000 1.251 246 F CB 0.682 39.667 39.000 -0.025 0.000 1.132 246 F HN 0.568 nan 8.300 nan 0.000 0.570 247 R N 5.606 125.368 120.500 -1.231 0.000 2.198 247 R HA 0.150 4.490 4.340 0.000 0.000 0.339 247 R C 0.842 176.091 176.300 -1.753 0.000 1.020 247 R CA -0.303 55.008 56.100 -1.315 0.000 0.864 247 R CB 0.861 30.565 30.300 -0.994 0.000 1.105 247 R HN 0.765 nan 8.270 nan 0.000 0.463 248 Q N 1.365 120.320 119.800 -1.408 0.000 2.488 248 Q HA -0.052 4.288 4.340 0.000 0.000 0.211 248 Q C 1.605 176.681 176.000 -1.541 0.000 0.967 248 Q CA 0.944 55.944 55.803 -1.339 0.000 0.926 248 Q CB 0.350 28.397 28.738 -1.151 0.000 0.992 248 Q HN 0.869 nan 8.270 nan 0.000 0.506 249 G N 0.606 108.316 108.800 -1.816 0.000 2.744 249 G HA2 -0.032 3.928 3.960 0.000 0.000 0.211 249 G HA3 -0.032 3.928 3.960 0.000 0.000 0.211 249 G C 1.378 175.648 174.900 -1.051 0.000 1.143 249 G CA 0.566 44.522 45.100 -1.908 0.000 0.788 249 G HN 0.370 nan 8.290 nan 0.000 0.534 250 A N 0.576 122.787 122.820 -1.015 0.000 2.019 250 A HA 0.139 4.459 4.320 0.000 0.000 0.219 250 A C 1.958 178.905 177.584 -1.061 0.000 1.164 250 A CA 0.903 52.425 52.037 -0.858 0.000 0.644 250 A CB -0.419 18.131 19.000 -0.750 0.000 0.805 250 A HN 0.256 nan 8.150 nan 0.000 0.449 251 F N 0.843 120.411 119.950 -0.636 0.000 2.102 251 F HA -0.129 4.398 4.527 0.000 0.000 0.298 251 F C 2.093 177.734 175.800 -0.264 0.000 1.105 251 F CA 1.183 58.948 58.000 -0.392 0.000 1.239 251 F CB -0.782 38.158 39.000 -0.100 0.000 0.991 251 F HN 0.226 nan 8.300 nan 0.000 0.474 252 D N -1.184 119.185 120.400 -0.052 0.000 2.149 252 D HA -0.247 4.393 4.640 0.000 0.000 0.198 252 D C 2.117 178.415 176.300 -0.005 0.000 0.990 252 D CA 1.250 55.233 54.000 -0.027 0.000 0.839 252 D CB -0.718 40.043 40.800 -0.066 0.000 0.948 252 D HN 0.352 nan 8.370 nan 0.000 0.460 253 Y N 0.418 120.617 120.300 -0.169 0.000 2.242 253 Y HA -0.176 4.374 4.550 0.000 0.000 0.291 253 Y C 2.127 178.127 175.900 0.167 0.000 1.137 253 Y CA 1.360 59.451 58.100 -0.014 0.000 1.181 253 Y CB -0.409 38.045 38.460 -0.010 0.000 0.989 253 Y HN -0.089 nan 8.280 nan 0.000 0.527 254 F N -1.461 118.588 119.950 0.165 0.000 2.075 254 F HA -0.260 4.267 4.527 0.000 0.000 0.297 254 F C 2.292 178.070 175.800 -0.037 0.000 1.113 254 F CA 0.956 59.003 58.000 0.079 0.000 1.218 254 F CB -0.655 38.389 39.000 0.074 0.000 0.984 254 F HN -0.167 nan 8.300 nan 0.000 0.472 255 V N -0.887 119.069 119.914 0.070 0.000 2.490 255 V HA -0.279 3.841 4.120 0.000 0.000 0.250 255 V C 2.367 178.506 176.094 0.074 0.000 1.061 255 V CA 1.998 64.308 62.300 0.017 0.000 1.064 255 V CB -0.622 31.173 31.823 -0.047 0.000 0.670 255 V HN 0.354 nan 8.190 nan 0.000 0.461 256 S N -1.024 114.684 115.700 0.013 0.000 2.387 256 S HA -0.162 4.308 4.470 0.000 0.000 0.226 256 S C 1.931 176.495 174.600 -0.059 0.000 1.026 256 S CA 1.172 59.359 58.200 -0.022 0.000 0.972 256 S CB -0.059 63.115 63.200 -0.043 0.000 0.814 256 S HN 0.598 nan 8.310 nan 0.000 0.477 257 Q N -0.484 119.243 119.800 -0.121 0.000 2.392 257 Q HA 0.318 4.658 4.340 0.000 0.000 0.219 257 Q C 0.974 176.947 176.000 -0.045 0.000 0.895 257 Q CA 0.440 56.149 55.803 -0.157 0.000 0.929 257 Q CB 0.242 28.776 28.738 -0.340 0.000 1.077 257 Q HN 0.565 nan 8.270 nan 0.000 0.532 258 M N -0.436 119.243 119.600 0.133 0.000 2.496 258 M HA 0.136 4.616 4.480 0.000 0.000 0.330 258 M C 0.835 177.280 176.300 0.242 0.000 1.133 258 M CA 0.084 55.527 55.300 0.238 0.000 0.964 258 M CB 0.808 33.638 32.600 0.382 0.000 1.401 258 M HN -0.125 nan 8.290 nan 0.000 0.520 259 T N 0.742 115.409 114.554 0.188 0.000 2.978 259 T HA 0.269 4.619 4.350 0.000 0.000 0.262 259 T C 0.720 175.411 174.700 -0.015 0.000 1.063 259 T CA 0.825 62.997 62.100 0.120 0.000 1.140 259 T CB 0.241 69.198 68.868 0.148 0.000 0.886 259 T HN 0.463 nan 8.240 nan 0.000 0.470 260 A N -0.071 122.715 122.820 -0.056 0.000 2.593 260 A HA 0.698 5.018 4.320 0.000 0.000 0.290 260 A C 0.850 178.317 177.584 -0.196 0.000 1.126 260 A CA -0.694 51.276 52.037 -0.111 0.000 0.695 260 A CB 0.961 19.893 19.000 -0.114 0.000 1.290 260 A HN 0.062 nan 8.150 nan 0.000 0.414 261 R N 0.060 120.441 120.500 -0.198 0.000 2.080 261 R HA -0.096 4.244 4.340 0.000 0.000 0.236 261 R C 1.282 177.264 176.300 -0.529 0.000 1.137 261 R CA 2.338 58.279 56.100 -0.265 0.000 0.943 261 R CB -0.484 29.711 30.300 -0.175 0.000 0.846 261 R HN 0.883 nan 8.270 nan 0.000 0.431 262 G N -1.015 107.465 108.800 -0.532 0.000 2.783 262 G HA2 0.354 4.314 3.960 0.000 0.000 0.182 262 G HA3 0.354 4.314 3.960 0.000 0.000 0.182 262 G C -0.349 174.115 174.900 -0.726 0.000 1.516 262 G CA -0.207 44.351 45.100 -0.903 0.000 1.079 262 G HN 0.455 nan 8.290 nan 0.000 0.573 263 G N -1.347 107.285 108.800 -0.279 0.000 2.544 263 G HA2 0.505 4.465 3.960 0.000 0.000 0.242 263 G HA3 0.505 4.465 3.960 0.000 0.000 0.242 263 G C 0.180 175.044 174.900 -0.060 0.000 1.247 263 G CA 0.590 45.666 45.100 -0.039 0.000 0.840 263 G HN 0.881 nan 8.290 nan 0.000 0.578 264 G N -0.098 108.691 108.800 -0.019 0.000 3.211 264 G HA2 0.606 4.566 3.960 0.000 0.000 0.262 264 G HA3 0.606 4.566 3.960 0.000 0.000 0.262 264 G C -0.748 174.160 174.900 0.013 0.000 1.352 264 G CA -0.789 44.309 45.100 -0.005 0.000 1.004 264 G HN 0.604 nan 8.290 nan 0.000 0.559 265 N N -0.770 117.942 118.700 0.019 0.000 2.545 265 N HA 0.395 5.135 4.740 0.000 0.000 0.289 265 N C -1.231 174.287 175.510 0.014 0.000 1.279 265 N CA -0.487 52.572 53.050 0.015 0.000 0.824 265 N CB 2.255 40.748 38.487 0.010 0.000 1.395 265 N HN 0.360 nan 8.380 nan 0.000 0.526 266 D N 0.283 120.688 120.400 0.009 0.000 2.451 266 D HA 0.403 5.043 4.640 0.000 0.000 0.259 266 D C 0.049 176.350 176.300 0.002 0.000 1.201 266 D CA -0.083 53.922 54.000 0.008 0.000 1.028 266 D CB 0.937 41.743 40.800 0.009 0.000 1.095 266 D HN 0.290 nan 8.370 nan 0.000 0.539 267 I N 1.824 122.399 120.570 0.007 0.000 2.325 267 I HA 0.191 4.361 4.170 0.000 0.000 0.291 267 I C -1.956 174.148 176.117 -0.020 0.000 1.019 267 I CA -1.753 59.536 61.300 -0.019 0.000 1.302 267 I CB 1.019 39.015 38.000 -0.006 0.000 1.401 267 I HN 0.051 nan 8.210 nan 0.000 0.485 268 P HA 0.096 nan 4.420 nan 0.000 0.264 268 P C -0.768 176.499 177.300 -0.055 0.000 1.193 268 P CA -0.054 63.018 63.100 -0.047 0.000 0.763 268 P CB 0.389 32.053 31.700 -0.059 0.000 0.810 269 R N 2.640 123.123 120.500 -0.028 0.000 2.604 269 R HA 0.328 4.668 4.340 0.000 0.000 0.287 269 R C 1.089 177.375 176.300 -0.024 0.000 0.970 269 R CA -0.887 55.204 56.100 -0.016 0.000 0.946 269 R CB 1.443 31.751 30.300 0.014 0.000 1.127 269 R HN 0.336 nan 8.270 nan 0.000 0.473 270 R N 0.602 121.088 120.500 -0.023 0.000 2.062 270 R HA 0.052 4.392 4.340 0.000 0.000 0.226 270 R C 0.095 176.394 176.300 -0.002 0.000 1.125 270 R CA 1.532 57.621 56.100 -0.019 0.000 0.966 270 R CB 0.079 30.366 30.300 -0.022 0.000 0.861 270 R HN 0.619 nan 8.270 nan 0.000 0.433 271 D N -1.678 118.730 120.400 0.013 0.000 2.299 271 D HA 0.291 4.931 4.640 0.000 0.000 0.243 271 D C -0.017 176.291 176.300 0.014 0.000 0.982 271 D CA 0.194 54.206 54.000 0.021 0.000 0.924 271 D CB 2.188 43.015 40.800 0.045 0.000 1.238 271 D HN 0.224 nan 8.370 nan 0.000 0.484 272 A N 2.071 124.895 122.820 0.006 0.000 2.066 272 A HA -0.061 4.259 4.320 0.000 0.000 0.218 272 A C 0.774 178.344 177.584 -0.024 0.000 1.157 272 A CA 0.904 52.933 52.037 -0.013 0.000 0.670 272 A CB 0.057 19.049 19.000 -0.014 0.000 0.804 272 A HN 0.490 nan 8.150 nan 0.000 0.453 273 D N -0.668 119.741 120.400 0.014 0.000 2.280 273 D HA 0.297 4.937 4.640 0.000 0.000 0.236 273 D C -0.126 176.225 176.300 0.085 0.000 1.082 273 D CA -0.505 53.517 54.000 0.036 0.000 0.834 273 D CB 0.945 41.794 40.800 0.082 0.000 1.100 273 D HN -0.006 nan 8.370 nan 0.000 0.486 274 D N 2.300 122.723 120.400 0.038 0.000 2.219 274 D HA -0.168 4.472 4.640 0.000 0.000 0.205 274 D C 1.350 177.805 176.300 0.259 0.000 0.970 274 D CA 0.652 54.731 54.000 0.132 0.000 0.851 274 D CB -0.056 40.725 40.800 -0.033 0.000 0.943 274 D HN 0.567 nan 8.370 nan 0.000 0.488 275 Y N 1.576 121.948 120.300 0.121 0.000 2.128 275 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 275 Y C 2.295 178.393 175.900 0.330 0.000 1.154 275 Y CA 1.906 60.157 58.100 0.252 0.000 1.149 275 Y CB -0.382 38.215 38.460 0.229 0.000 0.976 275 Y HN -0.109 nan 8.280 nan 0.000 0.505 276 T N 0.767 115.577 114.554 0.427 0.000 2.701 276 T HA -0.177 4.173 4.350 0.000 0.000 0.263 276 T C 1.636 176.459 174.700 0.205 0.000 1.040 276 T CA 1.453 63.723 62.100 0.284 0.000 1.147 276 T CB -0.379 68.612 68.868 0.205 0.000 0.865 276 T HN 0.376 nan 8.240 nan 0.000 0.426 277 N N 0.934 119.744 118.700 0.185 0.000 2.061 277 N HA -0.064 4.676 4.740 0.000 0.000 0.193 277 N C 1.586 177.167 175.510 0.118 0.000 1.030 277 N CA 1.310 54.434 53.050 0.123 0.000 0.856 277 N CB -0.579 37.963 38.487 0.092 0.000 1.023 277 N HN 0.367 nan 8.380 nan 0.000 0.424 278 F N 0.373 120.402 119.950 0.133 0.000 2.293 278 F HA 0.037 4.564 4.527 0.000 0.000 0.297 278 F C 2.096 178.053 175.800 0.262 0.000 1.089 278 F CA 0.114 58.202 58.000 0.146 0.000 1.377 278 F CB -0.261 38.695 39.000 -0.072 0.000 1.051 278 F HN -0.021 nan 8.300 nan 0.000 0.511 279 L N 0.409 121.863 121.223 0.387 0.000 2.156 279 L HA -0.097 4.243 4.340 0.000 0.000 0.208 279 L C 2.014 178.905 176.870 0.034 0.000 1.095 279 L CA 1.784 56.682 54.840 0.097 0.000 0.770 279 L CB -0.632 41.374 42.059 -0.088 0.000 0.914 279 L HN -0.045 nan 8.230 nan 0.000 0.439 280 K N -0.888 119.558 120.400 0.077 0.000 2.155 280 K HA 0.030 4.350 4.320 0.000 0.000 0.203 280 K C 1.986 178.611 176.600 0.043 0.000 1.052 280 K CA 0.959 57.270 56.287 0.040 0.000 0.948 280 K CB -0.158 32.367 32.500 0.042 0.000 0.728 280 K HN 0.405 nan 8.250 nan 0.000 0.448 281 A N 0.838 123.712 122.820 0.091 0.000 2.014 281 A HA 0.125 4.445 4.320 0.000 0.000 0.218 281 A C 1.454 179.106 177.584 0.113 0.000 1.163 281 A CA 1.625 53.722 52.037 0.100 0.000 0.652 281 A CB -0.396 18.717 19.000 0.188 0.000 0.808 281 A HN 0.437 nan 8.150 nan 0.000 0.449 282 G N -0.934 107.931 108.800 0.107 0.000 3.299 282 G HA2 -0.184 3.776 3.960 0.000 0.000 0.251 282 G HA3 -0.184 3.776 3.960 0.000 0.000 0.251 282 G C 0.688 175.687 174.900 0.165 0.000 1.741 282 G CA 0.708 45.837 45.100 0.049 0.000 1.151 282 G HN 1.667 nan 8.290 nan 0.000 0.561 283 S N 1.226 117.099 115.700 0.289 0.000 2.681 283 S HA 0.739 5.209 4.470 0.000 0.000 0.270 283 S C 1.644 176.536 174.600 0.486 0.000 1.209 283 S CA 0.618 59.073 58.200 0.425 0.000 0.988 283 S CB 1.566 65.018 63.200 0.420 0.000 1.006 283 S HN 2.126 nan 8.310 nan 0.000 0.558 284 A N 0.863 124.043 122.820 0.601 0.000 1.930 284 A HA 0.207 4.527 4.320 0.000 0.000 0.217 284 A C 2.129 180.102 177.584 0.649 0.000 1.175 284 A CA 1.379 53.878 52.037 0.771 0.000 0.627 284 A CB -1.709 17.848 19.000 0.929 0.000 0.815 284 A HN 1.092 nan 8.150 nan 0.000 0.443 285 G N -0.936 108.239 108.800 0.625 0.000 2.422 285 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 285 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 285 G C 1.867 176.917 174.900 0.250 0.000 1.140 285 G CA 1.391 46.797 45.100 0.511 0.000 0.775 285 G HN 0.559 nan 8.290 nan 0.000 0.545 286 S N -0.401 115.450 115.700 0.253 0.000 2.383 286 S HA -0.074 4.396 4.470 0.000 0.000 0.227 286 S C 2.025 176.647 174.600 0.036 0.000 1.026 286 S CA 1.166 59.447 58.200 0.136 0.000 0.981 286 S CB -0.376 62.923 63.200 0.165 0.000 0.818 286 S HN 0.366 nan 8.310 nan 0.000 0.472 287 F N 2.048 121.950 119.950 -0.081 0.000 2.186 287 F HA 0.133 4.660 4.527 0.000 0.000 0.299 287 F C 2.245 177.744 175.800 -0.501 0.000 1.090 287 F CA 1.052 58.889 58.000 -0.272 0.000 1.307 287 F CB -0.635 38.210 39.000 -0.258 0.000 1.019 287 F HN 0.282 nan 8.300 nan 0.000 0.489 288 A N -0.380 122.149 122.820 -0.484 0.000 1.877 288 A HA -0.159 4.161 4.320 0.000 0.000 0.216 288 A C 2.181 179.472 177.584 -0.488 0.000 1.186 288 A CA 2.253 53.772 52.037 -0.864 0.000 0.620 288 A CB -1.411 16.925 19.000 -1.106 0.000 0.822 288 A HN 0.407 nan 8.150 nan 0.000 0.443 289 T N 0.097 114.500 114.554 -0.251 0.000 2.708 289 T HA -0.187 4.163 4.350 0.000 0.000 0.266 289 T C 2.035 176.608 174.700 -0.212 0.000 1.037 289 T CA 1.774 63.781 62.100 -0.155 0.000 1.146 289 T CB -0.302 68.528 68.868 -0.064 0.000 0.865 289 T HN 0.608 nan 8.240 nan 0.000 0.435 290 Q N 0.360 119.991 119.800 -0.283 0.000 2.226 290 Q HA 0.045 4.385 4.340 0.000 0.000 0.204 290 Q C 2.278 178.044 176.000 -0.390 0.000 0.975 290 Q CA 1.187 56.800 55.803 -0.316 0.000 0.866 290 Q CB -0.154 28.364 28.738 -0.365 0.000 0.915 290 Q HN 0.526 nan 8.270 nan 0.000 0.440 291 A N -0.492 122.019 122.820 -0.516 0.000 2.275 291 A HA 0.342 4.662 4.320 0.000 0.000 0.212 291 A C 1.402 178.824 177.584 -0.270 0.000 1.201 291 A CA 0.657 52.415 52.037 -0.465 0.000 0.843 291 A CB -0.049 18.570 19.000 -0.636 0.000 0.873 291 A HN 0.419 nan 8.150 nan 0.000 0.492 292 G N -0.943 107.736 108.800 -0.202 0.000 2.143 292 G HA2 -0.259 3.701 3.960 0.000 0.000 0.249 292 G HA3 -0.259 3.701 3.960 0.000 0.000 0.249 292 G C 0.742 175.665 174.900 0.039 0.000 0.981 292 G CA 0.448 45.512 45.100 -0.059 0.000 0.665 292 G HN 0.436 nan 8.290 nan 0.000 0.528 293 L N 0.250 121.398 121.223 -0.124 0.000 2.456 293 L HA 0.054 4.394 4.340 0.000 0.000 0.224 293 L C 2.143 179.147 176.870 0.223 0.000 1.148 293 L CA 1.033 55.811 54.840 -0.105 0.000 0.825 293 L CB -0.170 41.559 42.059 -0.550 0.000 0.937 293 L HN 0.106 nan 8.230 nan 0.000 0.450 294 D N 0.086 120.589 120.400 0.172 0.000 2.309 294 D HA -0.202 4.438 4.640 0.000 0.000 0.212 294 D C 1.960 178.363 176.300 0.173 0.000 0.968 294 D CA 0.892 55.018 54.000 0.211 0.000 0.882 294 D CB 0.025 40.869 40.800 0.073 0.000 0.918 294 D HN 0.588 nan 8.370 nan 0.000 0.503 295 Q N -0.511 119.406 119.800 0.195 0.000 2.360 295 Q HA -0.038 4.302 4.340 0.000 0.000 0.202 295 Q C -0.305 175.733 176.000 0.063 0.000 0.915 295 Q CA -0.055 55.800 55.803 0.088 0.000 0.943 295 Q CB -0.118 28.626 28.738 0.011 0.000 1.064 295 Q HN 0.259 nan 8.270 nan 0.000 0.511 296 Y N 1.433 121.781 120.300 0.080 0.000 2.367 296 Y HA 0.251 4.801 4.550 0.000 0.000 0.342 296 Y C -1.588 174.361 175.900 0.082 0.000 0.979 296 Y CA -2.593 55.564 58.100 0.094 0.000 1.161 296 Y CB 1.521 40.062 38.460 0.134 0.000 1.155 296 Y HN 0.045 nan 8.280 nan 0.000 0.503 297 P HA -0.265 nan 4.420 nan 0.000 0.216 297 P C 1.525 178.864 177.300 0.066 0.000 1.150 297 P CA 1.467 64.607 63.100 0.067 0.000 0.843 297 P CB 0.062 31.790 31.700 0.047 0.000 0.787 298 F N -1.077 118.857 119.950 -0.028 0.000 2.186 298 F HA -0.109 4.418 4.527 0.000 0.000 0.299 298 F C 2.242 177.946 175.800 -0.160 0.000 1.090 298 F CA 1.119 59.045 58.000 -0.122 0.000 1.307 298 F CB -0.711 38.164 39.000 -0.208 0.000 1.019 298 F HN -0.008 nan 8.300 nan 0.000 0.489 299 W N 1.292 122.443 121.300 -0.248 0.000 2.402 299 W HA -0.195 4.465 4.660 0.000 0.000 0.286 299 W C 1.896 178.283 176.519 -0.219 0.000 1.221 299 W CA 1.420 58.606 57.345 -0.266 0.000 1.257 299 W CB -0.371 29.048 29.460 -0.068 0.000 1.120 299 W HN 0.165 nan 8.180 nan 0.000 0.551 300 Q N 0.296 119.891 119.800 -0.342 0.000 2.061 300 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 300 Q C 2.399 178.102 176.000 -0.495 0.000 0.984 300 Q CA 2.040 57.580 55.803 -0.439 0.000 0.846 300 Q CB -0.298 28.311 28.738 -0.214 0.000 0.902 300 Q HN 0.291 nan 8.270 nan 0.000 0.421 301 R N 0.101 120.314 120.500 -0.477 0.000 2.066 301 R HA -0.096 4.244 4.340 0.000 0.000 0.232 301 R C 2.314 178.242 176.300 -0.620 0.000 1.131 301 R CA 1.464 57.212 56.100 -0.588 0.000 0.955 301 R CB -0.389 29.523 30.300 -0.647 0.000 0.851 301 R HN 0.330 nan 8.270 nan 0.000 0.432 302 M N 0.348 119.579 119.600 -0.616 0.000 2.108 302 M HA -0.217 4.263 4.480 0.000 0.000 0.261 302 M C 2.413 178.539 176.300 -0.291 0.000 1.066 302 M CA 1.741 56.897 55.300 -0.240 0.000 1.107 302 M CB -0.335 32.180 32.600 -0.143 0.000 1.356 302 M HN 0.221 nan 8.290 nan 0.000 0.406 303 H N 0.022 118.489 119.070 -1.006 0.000 2.421 303 H HA -0.074 4.482 4.556 0.000 0.000 0.298 303 H C 1.560 176.634 175.328 -0.422 0.000 1.087 303 H CA 1.783 57.191 56.048 -1.066 0.000 1.330 303 H CB 0.101 28.980 29.762 -1.472 0.000 1.388 303 H HN 0.544 nan 8.280 nan 0.000 0.526 304 A N 0.202 122.766 122.820 -0.427 0.000 2.169 304 A HA -0.028 4.292 4.320 0.000 0.000 0.212 304 A C 0.382 177.592 177.584 -0.624 0.000 1.153 304 A CA 0.311 52.038 52.037 -0.517 0.000 0.756 304 A CB -0.041 18.571 19.000 -0.647 0.000 0.813 304 A HN 0.462 nan 8.150 nan 0.000 0.471 305 H N -0.573 118.439 119.070 -0.097 0.000 2.336 305 H HA 0.189 4.745 4.556 0.000 0.000 0.230 305 H C -2.100 173.473 175.328 0.409 0.000 1.426 305 H CA -1.439 54.653 56.048 0.074 0.000 1.359 305 H CB 0.579 30.268 29.762 -0.122 0.000 1.555 305 H HN 0.339 nan 8.280 nan 0.000 0.512 306 P HA -0.025 nan 4.420 nan 0.000 0.221 306 P C 0.748 178.269 177.300 0.369 0.000 1.150 306 P CA 0.545 63.886 63.100 0.403 0.000 0.800 306 P CB 0.682 32.509 31.700 0.212 0.000 0.787 307 A N -0.634 122.368 122.820 0.302 0.000 2.269 307 A HA 0.305 4.625 4.320 0.000 0.000 0.319 307 A C -0.617 176.766 177.584 -0.335 0.000 1.110 307 A CA -0.566 51.527 52.037 0.093 0.000 0.847 307 A CB -0.117 19.022 19.000 0.232 0.000 1.161 307 A HN -0.007 nan 8.150 nan 0.000 0.497 308 Y N 2.330 121.950 120.300 -1.133 0.000 2.734 308 Y HA 0.139 4.689 4.550 0.000 0.000 0.353 308 Y C 0.296 175.974 175.900 -0.369 0.000 1.244 308 Y CA -0.888 56.512 58.100 -1.166 0.000 1.950 308 Y CB -0.985 36.574 38.460 -1.501 0.000 2.028 308 Y HN 0.768 nan 8.280 nan 0.000 0.421 309 D N -0.156 120.122 120.400 -0.203 0.000 2.496 309 D HA 0.246 4.886 4.640 0.000 0.000 0.283 309 D C 1.518 177.675 176.300 -0.238 0.000 1.214 309 D CA 0.055 53.970 54.000 -0.142 0.000 1.089 309 D CB -0.012 40.795 40.800 0.012 0.000 1.141 309 D HN 0.195 nan 8.370 nan 0.000 0.580 310 A N -0.890 121.829 122.820 -0.169 0.000 1.978 310 A HA -0.140 4.180 4.320 0.000 0.000 0.220 310 A C 1.997 179.435 177.584 -0.243 0.000 1.170 310 A CA 1.394 53.319 52.037 -0.185 0.000 0.636 310 A CB -1.225 17.705 19.000 -0.116 0.000 0.810 310 A HN 0.526 nan 8.150 nan 0.000 0.448 311 F N -0.958 118.679 119.950 -0.522 0.000 2.102 311 F HA -0.174 4.353 4.527 0.000 0.000 0.298 311 F C 1.903 177.338 175.800 -0.609 0.000 1.105 311 F CA 1.809 59.371 58.000 -0.729 0.000 1.239 311 F CB -0.426 37.763 39.000 -1.351 0.000 0.991 311 F HN 0.410 nan 8.300 nan 0.000 0.474 312 W N 0.253 121.358 121.300 -0.325 0.000 2.523 312 W HA 0.004 4.664 4.660 0.000 0.000 0.278 312 W C 2.454 178.708 176.519 -0.441 0.000 1.236 312 W CA 0.547 57.693 57.345 -0.332 0.000 1.306 312 W CB -0.568 28.772 29.460 -0.201 0.000 1.101 312 W HN -0.014 nan 8.180 nan 0.000 0.577 313 Q N -0.129 119.397 119.800 -0.457 0.000 2.170 313 Q HA -0.093 4.247 4.340 0.000 0.000 0.203 313 Q C 2.362 178.259 176.000 -0.171 0.000 0.976 313 Q CA 1.365 56.914 55.803 -0.425 0.000 0.858 313 Q CB -0.677 27.797 28.738 -0.441 0.000 0.907 313 Q HN 0.383 nan 8.270 nan 0.000 0.433 314 G N 0.241 108.926 108.800 -0.190 0.000 2.776 314 G HA2 -0.166 3.794 3.960 0.000 0.000 0.209 314 G HA3 -0.166 3.794 3.960 0.000 0.000 0.209 314 G C 0.857 175.708 174.900 -0.083 0.000 1.145 314 G CA 0.101 45.121 45.100 -0.133 0.000 0.791 314 G HN 0.290 nan 8.290 nan 0.000 0.530 315 Q N -0.543 119.229 119.800 -0.047 0.000 2.149 315 Q HA 0.350 4.690 4.340 0.000 0.000 0.221 315 Q C 0.654 176.765 176.000 0.184 0.000 0.807 315 Q CA -0.352 55.494 55.803 0.072 0.000 1.000 315 Q CB 1.368 30.140 28.738 0.058 0.000 1.157 315 Q HN 0.291 nan 8.270 nan 0.000 0.487 316 A N 1.516 124.432 122.820 0.161 0.000 2.666 316 A HA 0.194 4.514 4.320 0.000 0.000 0.301 316 A C 0.944 178.645 177.584 0.196 0.000 1.470 316 A CA -0.080 52.085 52.037 0.214 0.000 1.159 316 A CB -0.352 18.786 19.000 0.230 0.000 1.116 316 A HN 0.403 nan 8.150 nan 0.000 0.548 317 L N 1.106 122.463 121.223 0.224 0.000 2.275 317 L HA -0.131 4.209 4.340 0.000 0.000 0.215 317 L C 2.038 179.020 176.870 0.187 0.000 1.119 317 L CA 1.085 56.048 54.840 0.205 0.000 0.790 317 L CB -0.440 41.763 42.059 0.240 0.000 0.919 317 L HN 0.783 nan 8.230 nan 0.000 0.443 318 D N 0.069 120.589 120.400 0.198 0.000 2.117 318 D HA -0.192 4.448 4.640 0.000 0.000 0.198 318 D C 1.792 178.166 176.300 0.123 0.000 0.982 318 D CA 1.064 55.154 54.000 0.149 0.000 0.828 318 D CB -0.223 40.688 40.800 0.185 0.000 0.967 318 D HN 0.169 nan 8.370 nan 0.000 0.464 319 K N 0.438 120.925 120.400 0.146 0.000 2.001 319 K HA -0.011 4.309 4.320 0.000 0.000 0.208 319 K C 2.353 179.010 176.600 0.096 0.000 1.048 319 K CA 0.361 56.719 56.287 0.118 0.000 0.932 319 K CB -0.381 32.196 32.500 0.128 0.000 0.715 319 K HN 0.251 nan 8.250 nan 0.000 0.437 320 I N 1.258 121.889 120.570 0.102 0.000 2.226 320 I HA -0.225 3.945 4.170 0.000 0.000 0.245 320 I C 2.417 178.590 176.117 0.093 0.000 1.100 320 I CA 0.839 62.193 61.300 0.089 0.000 1.374 320 I CB -0.941 37.114 38.000 0.092 0.000 1.057 320 I HN 0.058 nan 8.210 nan 0.000 0.413 321 L N 1.473 122.763 121.223 0.112 0.000 2.141 321 L HA -0.039 4.301 4.340 0.000 0.000 0.209 321 L C 2.551 179.479 176.870 0.098 0.000 1.094 321 L CA 1.859 56.773 54.840 0.124 0.000 0.763 321 L CB -0.773 41.391 42.059 0.176 0.000 0.908 321 L HN 0.163 nan 8.230 nan 0.000 0.437 322 A N -1.162 121.702 122.820 0.074 0.000 1.933 322 A HA -0.235 4.085 4.320 0.000 0.000 0.218 322 A C 2.167 179.779 177.584 0.047 0.000 1.175 322 A CA 1.690 53.755 52.037 0.047 0.000 0.628 322 A CB -0.488 18.530 19.000 0.029 0.000 0.814 322 A HN 0.647 nan 8.150 nan 0.000 0.444 323 Q N -1.133 118.700 119.800 0.054 0.000 2.297 323 Q HA -0.031 4.309 4.340 0.000 0.000 0.204 323 Q C 1.870 177.900 176.000 0.050 0.000 0.962 323 Q CA 0.632 56.464 55.803 0.048 0.000 0.879 323 Q CB 0.024 28.791 28.738 0.048 0.000 0.947 323 Q HN 0.407 nan 8.270 nan 0.000 0.462 324 R N 0.816 121.353 120.500 0.061 0.000 2.246 324 R HA 0.080 4.420 4.340 0.000 0.000 0.199 324 R C -0.023 176.315 176.300 0.063 0.000 0.984 324 R CA 0.218 56.356 56.100 0.063 0.000 1.015 324 R CB 0.071 30.416 30.300 0.076 0.000 0.930 324 R HN 0.130 nan 8.270 nan 0.000 0.475 325 K N 1.691 122.131 120.400 0.066 0.000 4.838 325 K HA -0.133 4.187 4.320 0.000 0.000 0.300 325 K C -2.317 174.326 176.600 0.070 0.000 0.861 325 K CA 0.080 56.405 56.287 0.063 0.000 0.929 325 K CB -0.945 31.583 32.500 0.045 0.000 1.772 325 K HN 0.234 nan 8.250 nan 0.000 0.422 326 P HA -0.001 nan 4.420 nan 0.000 0.272 326 P C 0.508 177.851 177.300 0.072 0.000 1.230 326 P CA -0.046 63.105 63.100 0.085 0.000 0.788 326 P CB 0.824 32.590 31.700 0.110 0.000 0.949 327 T N -3.012 111.572 114.554 0.049 0.000 3.174 327 T HA 0.233 4.583 4.350 0.000 0.000 0.269 327 T C 0.348 175.046 174.700 -0.003 0.000 1.017 327 T CA -0.310 61.809 62.100 0.032 0.000 0.899 327 T CB -0.494 68.389 68.868 0.025 0.000 1.077 327 T HN 0.072 nan 8.240 nan 0.000 0.552 328 V N 3.561 123.471 119.914 -0.007 0.000 2.498 328 V HA 0.359 4.479 4.120 0.000 0.000 0.279 328 V C -2.264 173.787 176.094 -0.072 0.000 1.048 328 V CA -2.206 60.049 62.300 -0.076 0.000 0.967 328 V CB 1.134 32.920 31.823 -0.062 0.000 0.988 328 V HN 0.247 nan 8.190 nan 0.000 0.473 329 P HA 0.150 nan 4.420 nan 0.000 0.262 329 P C -0.595 176.773 177.300 0.113 0.000 1.182 329 P CA 0.516 63.556 63.100 -0.100 0.000 0.761 329 P CB 0.266 31.576 31.700 -0.650 0.000 0.795 330 M N 3.209 122.967 119.600 0.263 0.000 2.464 330 M HA 0.445 4.925 4.480 0.000 0.000 0.308 330 M C -0.891 175.475 176.300 0.111 0.000 1.127 330 M CA -0.861 54.524 55.300 0.142 0.000 0.913 330 M CB 2.199 34.862 32.600 0.105 0.000 1.689 330 M HN 0.081 nan 8.290 nan 0.000 0.445 331 L N 3.006 124.191 121.223 -0.063 0.000 2.377 331 L HA 0.550 4.890 4.340 0.000 0.000 0.270 331 L C -2.090 174.656 176.870 -0.207 0.000 0.991 331 L CA 0.029 54.785 54.840 -0.140 0.000 0.851 331 L CB 0.817 42.777 42.059 -0.165 0.000 1.218 331 L HN 0.629 nan 8.230 nan 0.000 0.420 332 W N 4.645 125.923 121.300 -0.036 0.000 2.361 332 W HA 0.586 5.246 4.660 0.000 0.000 0.309 332 W C 0.368 176.798 176.519 -0.148 0.000 1.122 332 W CA -0.221 57.102 57.345 -0.036 0.000 1.208 332 W CB 1.104 30.591 29.460 0.045 0.000 1.246 332 W HN 0.404 nan 8.180 nan 0.000 0.490 333 E N 3.822 124.068 120.200 0.077 0.000 2.288 333 E HA 0.436 4.786 4.350 0.000 0.000 0.268 333 E C -1.135 175.496 176.600 0.052 0.000 0.885 333 E CA -0.677 55.702 56.400 -0.034 0.000 0.767 333 E CB 2.254 31.850 29.700 -0.172 0.000 1.220 333 E HN 0.686 nan 8.360 nan 0.000 0.427 334 Q N 1.167 120.993 119.800 0.043 0.000 2.578 334 Q HA 0.603 4.943 4.340 0.000 0.000 0.284 334 Q C -0.771 175.288 176.000 0.099 0.000 0.960 334 Q CA -1.120 54.741 55.803 0.098 0.000 0.809 334 Q CB 0.731 29.521 28.738 0.086 0.000 1.462 334 Q HN 0.480 nan 8.270 nan 0.000 0.392 335 G N 0.921 109.817 108.800 0.160 0.000 2.503 335 G HA2 0.368 4.328 3.960 0.000 0.000 0.257 335 G HA3 0.368 4.328 3.960 0.000 0.000 0.257 335 G C 0.331 175.167 174.900 -0.106 0.000 1.214 335 G CA -0.795 44.366 45.100 0.101 0.000 0.839 335 G HN 0.634 nan 8.290 nan 0.000 0.559 336 L N 0.379 121.404 121.223 -0.331 0.000 2.201 336 L HA 0.026 4.366 4.340 0.000 0.000 0.212 336 L C 1.108 177.665 176.870 -0.522 0.000 1.105 336 L CA 0.711 55.225 54.840 -0.544 0.000 0.775 336 L CB 0.032 41.543 42.059 -0.913 0.000 0.913 336 L HN 0.554 nan 8.230 nan 0.000 0.440 337 W N 0.089 121.320 121.300 -0.115 0.000 2.159 337 W HA 0.200 4.860 4.660 0.000 0.000 0.375 337 W C 0.041 176.497 176.519 -0.105 0.000 0.794 337 W CA -0.992 56.276 57.345 -0.128 0.000 2.716 337 W CB -0.038 29.337 29.460 -0.142 0.000 1.583 337 W HN -0.054 nan 8.180 nan 0.000 0.702 338 D N 2.467 122.937 120.400 0.116 0.000 2.349 338 D HA -0.058 4.582 4.640 0.000 0.000 0.266 338 D C 1.540 177.877 176.300 0.063 0.000 1.293 338 D CA 0.588 54.675 54.000 0.146 0.000 0.926 338 D CB 1.096 42.005 40.800 0.182 0.000 1.090 338 D HN 0.135 nan 8.370 nan 0.000 0.502 339 Q N 2.860 122.641 119.800 -0.032 0.000 2.444 339 Q HA -0.028 4.312 4.340 0.000 0.000 0.206 339 Q C 0.154 176.154 176.000 0.000 0.000 0.948 339 Q CA 0.822 56.528 55.803 -0.162 0.000 0.946 339 Q CB 0.259 28.669 28.738 -0.546 0.000 1.027 339 Q HN 0.611 nan 8.270 nan 0.000 0.513 340 E N -0.064 120.122 120.200 -0.023 0.000 2.441 340 E HA 0.129 4.479 4.350 0.000 0.000 0.207 340 E C -0.350 176.182 176.600 -0.114 0.000 0.803 340 E CA 0.097 56.419 56.400 -0.130 0.000 1.240 340 E CB 0.771 30.168 29.700 -0.505 0.000 1.233 340 E HN 0.255 nan 8.360 nan 0.000 0.590 341 D N 0.834 121.222 120.400 -0.020 0.000 2.656 341 D HA 0.111 4.751 4.640 0.000 0.000 0.303 341 D C 0.221 176.631 176.300 0.183 0.000 1.199 341 D CA -0.003 54.053 54.000 0.093 0.000 0.797 341 D CB 1.197 42.085 40.800 0.147 0.000 1.170 341 D HN 0.019 nan 8.370 nan 0.000 0.509 342 M N 0.159 119.869 119.600 0.184 0.000 2.419 342 M HA 0.044 4.524 4.480 0.000 0.000 0.264 342 M C 1.489 177.914 176.300 0.210 0.000 1.082 342 M CA 1.069 56.476 55.300 0.178 0.000 1.119 342 M CB 0.153 32.867 32.600 0.190 0.000 1.398 342 M HN 0.399 nan 8.290 nan 0.000 0.453 343 W N 0.154 121.463 121.300 0.015 0.000 2.480 343 W HA 0.096 4.756 4.660 0.000 0.000 0.299 343 W C 1.718 178.343 176.519 0.177 0.000 1.187 343 W CA 1.474 58.854 57.345 0.058 0.000 1.347 343 W CB -0.899 28.445 29.460 -0.193 0.000 1.121 343 W HN 0.301 nan 8.180 nan 0.000 0.533 344 G N 1.579 110.606 108.800 0.378 0.000 2.839 344 G HA2 -0.422 3.538 3.960 0.000 0.000 0.221 344 G HA3 -0.422 3.538 3.960 0.000 0.000 0.221 344 G C 1.660 176.691 174.900 0.218 0.000 1.271 344 G CA 2.748 48.039 45.100 0.318 0.000 0.789 344 G HN 0.381 nan 8.290 nan 0.000 0.659 345 A N 0.180 123.136 122.820 0.228 0.000 1.883 345 A HA 0.004 4.324 4.320 0.000 0.000 0.217 345 A C 2.502 180.096 177.584 0.016 0.000 1.186 345 A CA 1.792 53.961 52.037 0.220 0.000 0.624 345 A CB -0.458 18.703 19.000 0.267 0.000 0.822 345 A HN 0.563 nan 8.150 nan 0.000 0.444 346 I N -1.562 118.997 120.570 -0.017 0.000 2.315 346 I HA -0.241 3.929 4.170 0.000 0.000 0.248 346 I C 2.258 178.300 176.117 -0.125 0.000 1.117 346 I CA 1.680 62.935 61.300 -0.075 0.000 1.404 346 I CB -0.111 37.804 38.000 -0.143 0.000 1.071 346 I HN 0.476 nan 8.210 nan 0.000 0.419 347 H N 0.231 119.167 119.070 -0.223 0.000 2.395 347 H HA 0.043 4.599 4.556 0.000 0.000 0.299 347 H C 2.236 177.449 175.328 -0.191 0.000 1.070 347 H CA 1.400 57.286 56.048 -0.270 0.000 1.356 347 H CB -0.148 29.303 29.762 -0.519 0.000 1.401 347 H HN 0.424 nan 8.280 nan 0.000 0.524 348 A N 0.323 123.044 122.820 -0.164 0.000 1.873 348 A HA -0.186 4.134 4.320 0.000 0.000 0.215 348 A C 2.131 179.348 177.584 -0.610 0.000 1.186 348 A CA 1.412 53.196 52.037 -0.422 0.000 0.616 348 A CB -1.151 17.371 19.000 -0.797 0.000 0.823 348 A HN 0.685 nan 8.150 nan 0.000 0.442 349 W N 0.678 121.418 121.300 -0.934 0.000 2.358 349 W HA -0.232 4.428 4.660 0.000 0.000 0.303 349 W C 2.198 178.526 176.519 -0.318 0.000 1.208 349 W CA 2.201 59.107 57.345 -0.732 0.000 1.274 349 W CB -0.251 28.892 29.460 -0.529 0.000 1.138 349 W HN 0.396 nan 8.180 nan 0.000 0.515 350 Q N 0.955 120.607 119.800 -0.246 0.000 2.084 350 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 350 Q C 2.246 178.031 176.000 -0.359 0.000 0.978 350 Q CA 2.690 58.230 55.803 -0.438 0.000 0.844 350 Q CB -0.907 27.732 28.738 -0.166 0.000 0.898 350 Q HN 0.303 nan 8.270 nan 0.000 0.426 351 A N 0.036 122.721 122.820 -0.225 0.000 1.902 351 A HA -0.126 4.194 4.320 0.000 0.000 0.217 351 A C 2.088 179.578 177.584 -0.155 0.000 1.181 351 A CA 1.437 53.394 52.037 -0.133 0.000 0.623 351 A CB -0.728 18.240 19.000 -0.053 0.000 0.818 351 A HN 0.455 nan 8.150 nan 0.000 0.443 352 L N -0.852 120.245 121.223 -0.210 0.000 2.156 352 L HA -0.134 4.206 4.340 0.000 0.000 0.208 352 L C 2.602 179.346 176.870 -0.211 0.000 1.095 352 L CA 1.651 56.399 54.840 -0.154 0.000 0.770 352 L CB -0.326 41.673 42.059 -0.099 0.000 0.914 352 L HN 0.461 nan 8.230 nan 0.000 0.439 353 K N 0.119 120.280 120.400 -0.399 0.000 2.062 353 K HA -0.169 4.151 4.320 0.000 0.000 0.205 353 K C 1.550 178.003 176.600 -0.245 0.000 1.051 353 K CA 1.475 57.520 56.287 -0.404 0.000 0.941 353 K CB 0.081 32.133 32.500 -0.746 0.000 0.719 353 K HN 0.202 nan 8.250 nan 0.000 0.440 354 D N 0.478 120.741 120.400 -0.227 0.000 2.178 354 D HA -0.112 4.528 4.640 0.000 0.000 0.202 354 D C 1.349 177.599 176.300 -0.084 0.000 0.974 354 D CA 1.137 55.056 54.000 -0.136 0.000 0.841 354 D CB -0.002 40.732 40.800 -0.111 0.000 0.953 354 D HN 0.326 nan 8.370 nan 0.000 0.478 355 A N 0.279 123.053 122.820 -0.076 0.000 2.259 355 A HA -0.035 4.285 4.320 0.000 0.000 0.208 355 A C 0.383 177.949 177.584 -0.029 0.000 1.201 355 A CA 0.110 52.125 52.037 -0.037 0.000 0.824 355 A CB -0.090 18.898 19.000 -0.020 0.000 0.838 355 A HN 0.087 nan 8.150 nan 0.000 0.485 356 D N -0.258 120.113 120.400 -0.047 0.000 2.812 356 D HA -0.143 4.497 4.640 0.000 0.000 0.237 356 D C -0.036 176.259 176.300 -0.007 0.000 1.162 356 D CA 0.831 54.813 54.000 -0.030 0.000 0.740 356 D CB -1.153 39.638 40.800 -0.015 0.000 1.000 356 D HN 0.345 nan 8.370 nan 0.000 0.416 357 V N 2.122 122.030 119.914 -0.009 0.000 2.763 357 V HA -0.035 4.085 4.120 0.000 0.000 0.306 357 V C 0.727 176.846 176.094 0.042 0.000 1.059 357 V CA 0.426 62.741 62.300 0.025 0.000 1.138 357 V CB 1.050 32.899 31.823 0.044 0.000 0.940 357 V HN 0.131 nan 8.190 nan 0.000 0.489 358 K N 6.112 126.542 120.400 0.049 0.000 2.363 358 K HA 0.672 4.992 4.320 0.000 0.000 0.240 358 K C -0.298 176.341 176.600 0.065 0.000 1.169 358 K CA 0.335 56.655 56.287 0.054 0.000 1.131 358 K CB 0.381 32.908 32.500 0.045 0.000 1.771 358 K HN 0.872 nan 8.250 nan 0.000 0.380 359 A N 1.592 124.463 122.820 0.086 0.000 2.569 359 A HA 0.460 4.780 4.320 0.000 0.000 0.292 359 A C -2.995 174.678 177.584 0.149 0.000 1.032 359 A CA -1.191 50.904 52.037 0.097 0.000 0.669 359 A CB 0.678 19.721 19.000 0.072 0.000 1.290 359 A HN 0.129 nan 8.150 nan 0.000 0.422 360 P HA 0.303 nan 4.420 nan 0.000 0.264 360 P C -0.675 176.799 177.300 0.289 0.000 1.183 360 P CA 0.599 63.864 63.100 0.275 0.000 0.763 360 P CB 0.256 32.205 31.700 0.416 0.000 0.807 361 N N 1.215 120.097 118.700 0.304 0.000 2.732 361 N HA 0.196 4.936 4.740 0.000 0.000 0.247 361 N C -1.605 174.231 175.510 0.545 0.000 1.305 361 N CA -0.285 53.015 53.050 0.416 0.000 0.762 361 N CB 0.611 39.275 38.487 0.296 0.000 1.361 361 N HN 0.063 nan 8.380 nan 0.000 0.545 362 T N 2.204 117.000 114.554 0.404 0.000 2.823 362 T HA 0.469 4.819 4.350 0.000 0.000 0.279 362 T C -0.769 173.945 174.700 0.024 0.000 0.998 362 T CA -0.417 61.822 62.100 0.233 0.000 0.994 362 T CB 1.177 70.042 68.868 -0.006 0.000 0.960 362 T HN 0.344 nan 8.240 nan 0.000 0.448 363 L N 4.441 125.415 121.223 -0.416 0.000 2.309 363 L HA 0.752 5.092 4.340 0.000 0.000 0.282 363 L C -1.141 175.430 176.870 -0.499 0.000 1.036 363 L CA -0.350 54.069 54.840 -0.701 0.000 0.806 363 L CB 1.160 42.267 42.059 -1.587 0.000 1.220 363 L HN 0.427 nan 8.230 nan 0.000 0.429 364 V N 6.346 126.037 119.914 -0.371 0.000 2.531 364 V HA 0.535 4.655 4.120 0.000 0.000 0.301 364 V C -0.272 175.633 176.094 -0.314 0.000 1.034 364 V CA -0.470 61.618 62.300 -0.354 0.000 0.865 364 V CB 1.653 33.246 31.823 -0.383 0.000 0.995 364 V HN 0.778 nan 8.190 nan 0.000 0.424 365 M N 3.932 123.327 119.600 -0.342 0.000 2.204 365 M HA 0.649 5.129 4.480 0.000 0.000 0.293 365 M C 0.236 176.170 176.300 -0.611 0.000 0.994 365 M CA -0.217 54.838 55.300 -0.408 0.000 0.925 365 M CB 2.178 34.517 32.600 -0.435 0.000 1.577 365 M HN 0.773 nan 8.290 nan 0.000 0.439 366 G N 2.268 110.368 108.800 -1.166 0.000 2.597 366 G HA2 0.767 4.727 3.960 0.000 0.000 0.317 366 G HA3 0.767 4.727 3.960 0.000 0.000 0.317 366 G C -2.859 171.020 174.900 -1.703 0.000 1.230 366 G CA -1.363 42.517 45.100 -2.033 0.000 0.996 366 G HN 0.413 nan 8.290 nan 0.000 0.490 367 P HA 0.204 nan 4.420 nan 0.000 0.219 367 P C -1.080 175.843 177.300 -0.628 0.000 1.832 367 P CA -0.133 62.269 63.100 -1.165 0.000 1.014 367 P CB -0.094 30.445 31.700 -1.935 0.000 1.939 368 W N 2.350 123.604 121.300 -0.078 0.000 2.882 368 W HA 0.413 5.073 4.660 0.000 0.000 0.345 368 W C 0.605 177.199 176.519 0.124 0.000 1.125 368 W CA -0.829 56.538 57.345 0.037 0.000 1.167 368 W CB 0.909 30.360 29.460 -0.015 0.000 1.431 368 W HN 0.076 nan 8.180 nan 0.000 0.543 369 R N -0.201 120.512 120.500 0.355 0.000 2.517 369 R HA 0.333 4.673 4.340 0.000 0.000 0.250 369 R C -0.091 176.360 176.300 0.252 0.000 1.213 369 R CA -0.660 55.577 56.100 0.228 0.000 1.146 369 R CB -0.389 29.982 30.300 0.117 0.000 1.279 369 R HN 0.367 nan 8.270 nan 0.000 0.597 370 H N 0.002 119.141 119.070 0.116 0.000 3.107 370 H HA 0.047 4.603 4.556 0.000 0.000 0.301 370 H C -0.241 175.184 175.328 0.162 0.000 0.981 370 H CA 1.570 57.701 56.048 0.138 0.000 1.443 370 H CB 0.050 29.890 29.762 0.130 0.000 1.479 370 H HN 0.707 nan 8.280 nan 0.000 0.564 371 S N 1.791 117.322 115.700 -0.281 0.000 3.127 371 S HA -0.238 4.232 4.470 0.000 0.000 0.281 371 S C 1.873 176.473 174.600 0.000 0.000 1.293 371 S CA 0.920 59.003 58.200 -0.195 0.000 1.156 371 S CB -1.688 61.408 63.200 -0.173 0.000 1.389 371 S HN 1.016 nan 8.310 nan 0.000 0.672 372 G N 0.498 109.324 108.800 0.043 0.000 2.479 372 G HA2 -0.110 3.850 3.960 0.000 0.000 0.220 372 G HA3 -0.110 3.850 3.960 0.000 0.000 0.220 372 G C 1.203 175.875 174.900 -0.381 0.000 1.115 372 G CA 1.007 46.127 45.100 0.035 0.000 0.757 372 G HN 0.713 nan 8.290 nan 0.000 0.560 373 V N 0.940 120.446 119.914 -0.680 0.000 2.867 373 V HA -0.061 4.059 4.120 0.000 0.000 0.260 373 V C 1.608 177.395 176.094 -0.511 0.000 1.099 373 V CA 1.578 63.244 62.300 -1.056 0.000 1.122 373 V CB -0.322 30.963 31.823 -0.896 0.000 0.708 373 V HN 0.332 nan 8.190 nan 0.000 0.490 374 N N -1.201 117.244 118.700 -0.425 0.000 2.268 374 N HA 0.154 4.894 4.740 0.000 0.000 0.204 374 N C -0.223 174.798 175.510 -0.815 0.000 1.124 374 N CA 0.266 52.984 53.050 -0.553 0.000 0.838 374 N CB 0.346 38.454 38.487 -0.633 0.000 0.994 374 N HN 0.621 nan 8.380 nan 0.000 0.489 375 Y N -0.679 119.555 120.300 -0.110 0.000 3.326 375 Y HA 0.301 4.851 4.550 0.000 0.000 0.269 375 Y C 0.434 176.310 175.900 -0.041 0.000 2.118 375 Y CA -1.162 56.905 58.100 -0.055 0.000 0.942 375 Y CB 0.239 38.677 38.460 -0.037 0.000 1.585 375 Y HN -0.238 nan 8.280 nan 0.000 0.542 376 N N 0.486 119.302 118.700 0.194 0.000 2.419 376 N HA 0.239 4.979 4.740 0.000 0.000 0.277 376 N C -0.222 175.389 175.510 0.169 0.000 1.006 376 N CA 0.077 53.209 53.050 0.137 0.000 0.923 376 N CB 1.617 40.169 38.487 0.109 0.000 1.140 376 N HN 0.865 nan 8.380 nan 0.000 0.488 377 G N 1.638 110.569 108.800 0.218 0.000 3.707 377 G HA2 0.049 4.009 3.960 0.000 0.000 0.286 377 G HA3 0.049 4.009 3.960 0.000 0.000 0.286 377 G C 0.701 175.834 174.900 0.389 0.000 1.112 377 G CA -0.259 45.063 45.100 0.371 0.000 0.861 377 G HN 0.548 nan 8.290 nan 0.000 0.534 378 S N -0.003 115.864 115.700 0.278 0.000 2.436 378 S HA 0.072 4.542 4.470 0.000 0.000 0.228 378 S C 1.366 176.066 174.600 0.167 0.000 1.014 378 S CA 1.035 59.371 58.200 0.227 0.000 0.950 378 S CB 0.172 63.446 63.200 0.123 0.000 0.784 378 S HN 0.703 nan 8.310 nan 0.000 0.504 379 T N -0.812 113.832 114.554 0.151 0.000 2.843 379 T HA 0.695 5.045 4.350 0.000 0.000 0.302 379 T C -1.615 173.131 174.700 0.076 0.000 1.232 379 T CA -0.828 61.223 62.100 -0.082 0.000 1.009 379 T CB 1.882 70.689 68.868 -0.101 0.000 1.254 379 T HN -0.046 nan 8.240 nan 0.000 0.504 380 L N 1.558 122.723 121.223 -0.097 0.000 2.596 380 L HA 0.653 4.993 4.340 0.000 0.000 0.265 380 L C 0.645 177.405 176.870 -0.184 0.000 0.962 380 L CA 1.449 56.279 54.840 -0.016 0.000 0.891 380 L CB 0.875 43.027 42.059 0.155 0.000 1.248 380 L HN 1.572 nan 8.230 nan 0.000 0.410 381 G N 5.747 114.467 108.800 -0.134 0.000 2.611 381 G HA2 -0.275 3.685 3.960 0.000 0.000 0.301 381 G HA3 -0.275 3.685 3.960 0.000 0.000 0.301 381 G C -1.719 173.078 174.900 -0.172 0.000 1.233 381 G CA 0.249 45.263 45.100 -0.142 0.000 0.993 381 G HN 0.600 nan 8.290 nan 0.000 0.553 382 P HA 0.262 nan 4.420 nan 0.000 0.251 382 P C 0.924 178.031 177.300 -0.322 0.000 1.223 382 P CA 0.238 63.204 63.100 -0.222 0.000 0.796 382 P CB 0.038 31.616 31.700 -0.203 0.000 1.068 383 L N 0.466 121.439 121.223 -0.416 0.000 2.452 383 L HA 0.228 4.568 4.340 0.000 0.000 0.267 383 L C 0.593 177.042 176.870 -0.701 0.000 1.188 383 L CA 0.124 54.629 54.840 -0.558 0.000 0.821 383 L CB 0.186 41.857 42.059 -0.647 0.000 1.102 383 L HN -0.100 nan 8.230 nan 0.000 0.470 384 E N 1.537 121.313 120.200 -0.708 0.000 2.246 384 E HA 0.493 4.843 4.350 0.000 0.000 0.266 384 E C -1.423 174.844 176.600 -0.554 0.000 0.880 384 E CA -0.523 55.530 56.400 -0.578 0.000 0.762 384 E CB 2.029 31.573 29.700 -0.261 0.000 1.180 384 E HN 0.190 nan 8.360 nan 0.000 0.416 385 F N 0.492 120.439 119.950 -0.004 0.000 2.518 385 F HA 0.300 4.827 4.527 0.000 0.000 0.338 385 F C 0.951 176.782 175.800 0.053 0.000 1.065 385 F CA -1.099 56.909 58.000 0.013 0.000 1.012 385 F CB 0.736 39.650 39.000 -0.143 0.000 1.297 385 F HN 0.211 nan 8.300 nan 0.000 0.489 386 E N 1.725 122.124 120.200 0.332 0.000 1.856 386 E HA 0.397 4.747 4.350 0.000 0.000 0.263 386 E C 0.515 177.249 176.600 0.225 0.000 1.137 386 E CA 0.124 56.665 56.400 0.235 0.000 1.007 386 E CB -0.111 29.726 29.700 0.229 0.000 1.117 386 E HN 0.781 nan 8.360 nan 0.000 0.438 387 G N 2.951 111.864 108.800 0.187 0.000 2.796 387 G HA2 -0.256 3.704 3.960 0.000 0.000 0.571 387 G HA3 -0.256 3.704 3.960 0.000 0.000 0.571 387 G C -0.360 174.671 174.900 0.217 0.000 1.370 387 G CA -0.569 44.641 45.100 0.183 0.000 0.856 387 G HN 0.480 nan 8.290 nan 0.000 0.538 388 D N 0.855 121.384 120.400 0.215 0.000 2.441 388 D HA 0.294 4.934 4.640 0.000 0.000 0.243 388 D C 2.196 178.695 176.300 0.331 0.000 1.257 388 D CA 0.855 55.001 54.000 0.244 0.000 1.027 388 D CB -0.166 40.755 40.800 0.201 0.000 1.084 388 D HN 0.788 nan 8.370 nan 0.000 0.514 389 T N 0.604 115.377 114.554 0.365 0.000 2.849 389 T HA -0.163 4.187 4.350 0.000 0.000 0.270 389 T C 1.792 176.939 174.700 0.745 0.000 1.066 389 T CA 1.003 63.417 62.100 0.524 0.000 1.130 389 T CB -0.057 68.899 68.868 0.146 0.000 0.864 389 T HN 0.263 nan 8.240 nan 0.000 0.481 390 A N 1.298 124.440 122.820 0.537 0.000 1.872 390 A HA -0.027 4.293 4.320 0.000 0.000 0.214 390 A C 2.214 179.923 177.584 0.209 0.000 1.187 390 A CA 1.756 53.904 52.037 0.185 0.000 0.614 390 A CB -1.159 17.715 19.000 -0.210 0.000 0.826 390 A HN 0.693 nan 8.150 nan 0.000 0.442 391 H N -0.154 118.984 119.070 0.113 0.000 2.353 391 H HA -0.093 4.463 4.556 0.000 0.000 0.300 391 H C 2.116 177.482 175.328 0.064 0.000 1.090 391 H CA 2.159 58.236 56.048 0.049 0.000 1.327 391 H CB -0.212 29.573 29.762 0.039 0.000 1.383 391 H HN 0.581 nan 8.280 nan 0.000 0.508 392 Q N -0.958 118.919 119.800 0.128 0.000 2.045 392 Q HA -0.255 4.085 4.340 0.000 0.000 0.206 392 Q C 2.080 178.040 176.000 -0.066 0.000 0.991 392 Q CA 2.022 57.856 55.803 0.052 0.000 0.851 392 Q CB -0.439 28.467 28.738 0.280 0.000 0.911 392 Q HN 0.666 nan 8.270 nan 0.000 0.418 393 Y N 1.198 121.465 120.300 -0.056 0.000 2.097 393 Y HA -0.246 4.304 4.550 0.000 0.000 0.282 393 Y C 2.209 178.033 175.900 -0.127 0.000 1.152 393 Y CA 1.588 59.591 58.100 -0.162 0.000 1.136 393 Y CB -0.011 38.461 38.460 0.020 0.000 0.975 393 Y HN -0.075 nan 8.280 nan 0.000 0.498 394 R N -0.006 120.266 120.500 -0.379 0.000 2.091 394 R HA -0.207 4.133 4.340 0.000 0.000 0.238 394 R C 2.544 178.525 176.300 -0.533 0.000 1.136 394 R CA 1.884 57.709 56.100 -0.459 0.000 0.959 394 R CB -0.421 29.738 30.300 -0.235 0.000 0.856 394 R HN 0.396 nan 8.270 nan 0.000 0.437 395 R N 0.478 120.663 120.500 -0.525 0.000 2.075 395 R HA -0.088 4.252 4.340 0.000 0.000 0.226 395 R C 0.890 176.996 176.300 -0.323 0.000 1.114 395 R CA 1.538 57.357 56.100 -0.470 0.000 0.972 395 R CB 0.196 30.161 30.300 -0.559 0.000 0.869 395 R HN 0.123 nan 8.270 nan 0.000 0.437 396 D N -0.751 119.479 120.400 -0.283 0.000 2.327 396 D HA 0.014 4.654 4.640 0.000 0.000 0.205 396 D C 1.451 177.660 176.300 -0.151 0.000 0.989 396 D CA 0.567 54.457 54.000 -0.183 0.000 0.873 396 D CB 0.827 41.540 40.800 -0.145 0.000 0.955 396 D HN 0.100 nan 8.370 nan 0.000 0.515 397 V N 0.029 119.798 119.914 -0.240 0.000 3.054 397 V HA 0.002 4.122 4.120 0.000 0.000 0.227 397 V C 1.754 177.786 176.094 -0.103 0.000 1.252 397 V CA -0.121 62.086 62.300 -0.156 0.000 1.279 397 V CB -0.113 31.626 31.823 -0.140 0.000 1.118 397 V HN -0.040 nan 8.190 nan 0.000 0.504 398 F N 2.437 122.004 119.950 -0.639 0.000 2.025 398 F HA -0.218 4.309 4.527 0.000 0.000 0.297 398 F C 2.624 178.304 175.800 -0.199 0.000 1.132 398 F CA 2.676 60.382 58.000 -0.491 0.000 1.191 398 F CB -0.635 37.862 39.000 -0.839 0.000 0.963 398 F HN 0.103 nan 8.300 nan 0.000 0.481 399 R N 0.695 121.018 120.500 -0.295 0.000 2.080 399 R HA -0.125 4.215 4.340 0.000 0.000 0.236 399 R C -0.830 175.454 176.300 -0.027 0.000 1.137 399 R CA 2.083 57.937 56.100 -0.411 0.000 0.943 399 R CB -1.910 28.020 30.300 -0.616 0.000 0.846 399 R HN 0.205 nan 8.270 nan 0.000 0.431 400 P HA -0.099 nan 4.420 nan 0.000 0.217 400 P C 1.059 178.471 177.300 0.187 0.000 1.150 400 P CA 1.154 64.294 63.100 0.067 0.000 0.832 400 P CB -0.232 31.488 31.700 0.034 0.000 0.787 401 F N -1.092 118.955 119.950 0.162 0.000 2.102 401 F HA -0.197 4.330 4.527 0.000 0.000 0.298 401 F C 1.966 178.043 175.800 0.461 0.000 1.105 401 F CA 1.375 59.549 58.000 0.290 0.000 1.239 401 F CB -0.501 38.708 39.000 0.348 0.000 0.991 401 F HN -0.236 nan 8.300 nan 0.000 0.474 402 F N 1.108 121.221 119.950 0.272 0.000 2.186 402 F HA -0.164 4.363 4.527 0.000 0.000 0.299 402 F C 2.220 178.127 175.800 0.179 0.000 1.090 402 F CA 1.490 59.629 58.000 0.231 0.000 1.307 402 F CB -0.984 38.235 39.000 0.365 0.000 1.019 402 F HN -0.017 nan 8.300 nan 0.000 0.489 403 D N -0.260 120.328 120.400 0.312 0.000 2.178 403 D HA -0.180 4.460 4.640 0.000 0.000 0.202 403 D C 2.191 178.470 176.300 -0.036 0.000 0.974 403 D CA 1.025 55.126 54.000 0.168 0.000 0.841 403 D CB -0.345 40.526 40.800 0.118 0.000 0.953 403 D HN 0.396 nan 8.370 nan 0.000 0.478 404 E N -0.618 119.481 120.200 -0.169 0.000 2.085 404 E HA -0.212 4.138 4.350 0.000 0.000 0.194 404 E C 1.170 177.422 176.600 -0.579 0.000 0.994 404 E CA 1.085 57.218 56.400 -0.446 0.000 0.801 404 E CB -0.038 29.227 29.700 -0.724 0.000 0.743 404 E HN 0.430 nan 8.360 nan 0.000 0.453 405 Y N -0.857 119.325 120.300 -0.197 0.000 2.478 405 Y HA 0.196 4.746 4.550 0.000 0.000 0.261 405 Y C 1.659 177.457 175.900 -0.171 0.000 1.127 405 Y CA -0.018 57.956 58.100 -0.210 0.000 1.288 405 Y CB 0.577 38.846 38.460 -0.317 0.000 1.084 405 Y HN 0.015 nan 8.280 nan 0.000 0.530 406 L N -0.785 120.424 121.223 -0.023 0.000 2.642 406 L HA 0.181 4.521 4.340 0.000 0.000 0.233 406 L C 0.219 177.031 176.870 -0.096 0.000 1.077 406 L CA 0.428 55.238 54.840 -0.050 0.000 0.879 406 L CB 0.377 42.443 42.059 0.012 0.000 1.151 406 L HN -0.160 nan 8.230 nan 0.000 0.495 407 K N 1.387 121.737 120.400 -0.084 0.000 2.484 407 K HA 0.312 4.632 4.320 0.000 0.000 0.226 407 K C -2.447 174.099 176.600 -0.091 0.000 1.031 407 K CA -1.838 54.389 56.287 -0.100 0.000 1.026 407 K CB 1.157 33.607 32.500 -0.084 0.000 1.412 407 K HN -0.207 nan 8.250 nan 0.000 0.492 408 P HA -0.121 nan 4.420 nan 0.000 0.260 408 P C 0.770 178.028 177.300 -0.071 0.000 1.172 408 P CA 1.215 64.269 63.100 -0.078 0.000 0.760 408 P CB 0.591 32.251 31.700 -0.067 0.000 0.773 409 G N 1.607 110.364 108.800 -0.072 0.000 2.195 409 G HA2 -0.217 3.743 3.960 0.000 0.000 0.224 409 G HA3 -0.217 3.743 3.960 0.000 0.000 0.224 409 G C 0.479 175.341 174.900 -0.063 0.000 0.990 409 G CA -0.108 44.957 45.100 -0.059 0.000 0.639 409 G HN 0.574 nan 8.290 nan 0.000 0.514 410 S N 0.781 116.434 115.700 -0.078 0.000 2.593 410 S HA 0.619 5.089 4.470 0.000 0.000 0.269 410 S C 0.979 175.527 174.600 -0.086 0.000 1.334 410 S CA 0.233 58.388 58.200 -0.075 0.000 1.015 410 S CB 1.231 64.384 63.200 -0.078 0.000 0.912 410 S HN 1.594 nan 8.310 nan 0.000 0.541 411 A N 2.420 125.201 122.820 -0.065 0.000 2.483 411 A HA 0.389 4.709 4.320 0.000 0.000 0.238 411 A C 0.573 178.098 177.584 -0.099 0.000 1.070 411 A CA -0.210 51.791 52.037 -0.059 0.000 0.770 411 A CB 0.008 18.988 19.000 -0.033 0.000 1.008 411 A HN 0.671 nan 8.150 nan 0.000 0.497 412 S N -0.532 115.105 115.700 -0.106 0.000 2.601 412 S HA 0.506 4.976 4.470 0.000 0.000 0.271 412 S C 0.131 174.623 174.600 -0.181 0.000 1.305 412 S CA -0.109 57.973 58.200 -0.196 0.000 1.022 412 S CB 1.129 64.209 63.200 -0.200 0.000 0.940 412 S HN 1.364 nan 8.310 nan 0.000 0.525 413 V N 0.617 120.393 119.914 -0.231 0.000 2.769 413 V HA 0.591 4.711 4.120 0.000 0.000 0.312 413 V C -0.977 174.975 176.094 -0.238 0.000 1.061 413 V CA -0.721 61.520 62.300 -0.097 0.000 0.931 413 V CB 1.663 33.545 31.823 0.098 0.000 1.010 413 V HN 0.912 nan 8.190 nan 0.000 0.433 414 H N 4.788 123.942 119.070 0.140 0.000 2.645 414 H HA 0.487 5.043 4.556 0.000 0.000 0.257 414 H C -0.628 174.796 175.328 0.160 0.000 1.269 414 H CA -0.305 55.832 56.048 0.149 0.000 1.409 414 H CB 1.356 31.180 29.762 0.104 0.000 1.434 414 H HN 0.574 nan 8.280 nan 0.000 0.505 415 L N 4.325 125.696 121.223 0.247 0.000 2.395 415 L HA 0.248 4.588 4.340 0.000 0.000 0.269 415 L C -1.410 175.583 176.870 0.205 0.000 1.133 415 L CA -1.611 53.349 54.840 0.200 0.000 0.812 415 L CB 0.563 42.677 42.059 0.093 0.000 1.125 415 L HN 0.330 nan 8.230 nan 0.000 0.452 416 P HA 0.145 nan 4.420 nan 0.000 0.297 416 P C -0.190 177.233 177.300 0.204 0.000 1.303 416 P CA -0.426 62.796 63.100 0.204 0.000 0.753 416 P CB 0.904 32.733 31.700 0.215 0.000 1.281 417 D N -1.018 119.542 120.400 0.266 0.000 2.117 417 D HA 0.075 4.715 4.640 0.000 0.000 0.197 417 D C 0.517 176.979 176.300 0.269 0.000 0.987 417 D CA 1.456 55.692 54.000 0.393 0.000 0.829 417 D CB -0.201 40.902 40.800 0.506 0.000 0.961 417 D HN 0.522 nan 8.370 nan 0.000 0.460 418 A N -0.622 122.248 122.820 0.084 0.000 2.574 418 A HA 0.637 4.957 4.320 0.000 0.000 0.297 418 A C -1.354 176.051 177.584 -0.297 0.000 1.062 418 A CA -0.610 51.285 52.037 -0.237 0.000 0.686 418 A CB 1.224 19.920 19.000 -0.506 0.000 1.285 418 A HN 0.025 nan 8.150 nan 0.000 0.403 419 I N 2.499 122.816 120.570 -0.422 0.000 2.411 419 I HA 0.460 4.630 4.170 0.000 0.000 0.284 419 I C -1.004 174.922 176.117 -0.318 0.000 1.012 419 I CA -0.119 60.877 61.300 -0.507 0.000 1.119 419 I CB 1.217 38.816 38.000 -0.668 0.000 1.261 419 I HN 0.467 nan 8.210 nan 0.000 0.448 420 I N 5.877 126.284 120.570 -0.272 0.000 2.499 420 I HA 0.264 4.434 4.170 0.000 0.000 0.288 420 I C -0.759 175.196 176.117 -0.271 0.000 1.048 420 I CA -0.921 60.215 61.300 -0.275 0.000 1.062 420 I CB 2.147 39.887 38.000 -0.434 0.000 1.238 420 I HN 0.412 nan 8.210 nan 0.000 0.426 421 Y N 6.195 126.086 120.300 -0.683 0.000 2.497 421 Y HA 0.094 4.644 4.550 0.000 0.000 0.334 421 Y C 0.499 176.037 175.900 -0.603 0.000 1.199 421 Y CA 0.359 57.861 58.100 -0.997 0.000 1.425 421 Y CB 0.572 38.108 38.460 -1.540 0.000 1.291 421 Y HN 0.507 nan 8.280 nan 0.000 0.562 422 N N 3.622 121.738 118.700 -0.972 0.000 2.462 422 N HA 0.018 4.758 4.740 0.000 0.000 0.242 422 N C 0.392 175.597 175.510 -0.508 0.000 1.010 422 N CA 0.295 52.998 53.050 -0.578 0.000 0.939 422 N CB 1.083 39.297 38.487 -0.454 0.000 1.127 422 N HN 0.879 nan 8.380 nan 0.000 0.509 423 T N -0.189 114.261 114.554 -0.174 0.000 3.163 423 T HA 0.065 4.415 4.350 0.000 0.000 0.260 423 T C 1.326 176.070 174.700 0.074 0.000 1.156 423 T CA 0.631 62.800 62.100 0.114 0.000 1.072 423 T CB 0.156 69.153 68.868 0.215 0.000 0.937 423 T HN 0.431 nan 8.240 nan 0.000 0.528 424 G N 0.834 109.484 108.800 -0.250 0.000 2.853 424 G HA2 0.098 4.058 3.960 0.000 0.000 0.202 424 G HA3 0.098 4.058 3.960 0.000 0.000 0.202 424 G C 1.114 175.858 174.900 -0.260 0.000 1.118 424 G CA 0.009 44.850 45.100 -0.432 0.000 0.831 424 G HN 0.383 nan 8.290 nan 0.000 0.613 425 D N 0.685 120.927 120.400 -0.264 0.000 2.317 425 D HA 0.061 4.701 4.640 0.000 0.000 0.211 425 D C 0.459 176.631 176.300 -0.213 0.000 0.966 425 D CA 0.379 54.253 54.000 -0.209 0.000 0.876 425 D CB 0.138 40.815 40.800 -0.204 0.000 0.927 425 D HN 0.091 nan 8.370 nan 0.000 0.519 426 Q N -0.287 119.336 119.800 -0.296 0.000 2.457 426 Q HA -0.218 4.122 4.340 0.000 0.000 0.333 426 Q C -0.482 175.284 176.000 -0.390 0.000 1.448 426 Q CA 0.871 56.514 55.803 -0.267 0.000 0.891 426 Q CB -1.925 26.823 28.738 0.017 0.000 1.142 426 Q HN 0.602 nan 8.270 nan 0.000 0.375 427 K N -2.479 117.433 120.400 -0.814 0.000 2.625 427 K HA 0.558 4.878 4.320 0.000 0.000 0.284 427 K C -1.340 174.850 176.600 -0.683 0.000 0.984 427 K CA -0.997 54.980 56.287 -0.518 0.000 0.865 427 K CB 0.619 32.992 32.500 -0.211 0.000 1.468 427 K HN -0.018 nan 8.250 nan 0.000 0.407 428 W N 1.863 123.026 121.300 -0.229 0.000 2.266 428 W HA 0.267 4.927 4.660 0.000 0.000 0.317 428 W C -0.484 175.928 176.519 -0.179 0.000 1.310 428 W CA 0.345 57.585 57.345 -0.175 0.000 1.207 428 W CB 0.870 30.336 29.460 0.009 0.000 1.199 428 W HN 0.382 nan 8.180 nan 0.000 0.544 429 D N 2.579 122.922 120.400 -0.096 0.000 2.256 429 D HA 0.177 4.817 4.640 0.000 0.000 0.240 429 D C -1.206 174.812 176.300 -0.470 0.000 1.062 429 D CA -0.618 53.178 54.000 -0.340 0.000 0.832 429 D CB 0.953 41.357 40.800 -0.659 0.000 1.135 429 D HN 0.235 nan 8.370 nan 0.000 0.484 430 Y N 1.632 121.676 120.300 -0.427 0.000 2.385 430 Y HA 0.250 4.800 4.550 0.000 0.000 0.341 430 Y C -0.268 175.444 175.900 -0.312 0.000 0.965 430 Y CA -0.701 57.228 58.100 -0.285 0.000 1.180 430 Y CB 0.744 39.129 38.460 -0.125 0.000 1.139 430 Y HN 0.282 nan 8.280 nan 0.000 0.502 431 Y N 3.502 123.845 120.300 0.070 0.000 2.402 431 Y HA 0.278 4.828 4.550 0.000 0.000 0.332 431 Y C 1.394 177.394 175.900 0.166 0.000 0.960 431 Y CA -0.823 57.351 58.100 0.124 0.000 1.228 431 Y CB 1.132 39.679 38.460 0.145 0.000 1.120 431 Y HN 0.630 nan 8.280 nan 0.000 0.491 432 R N 1.236 121.925 120.500 0.316 0.000 2.096 432 R HA -0.090 4.250 4.340 0.000 0.000 0.240 432 R C -0.207 176.248 176.300 0.259 0.000 1.139 432 R CA 1.338 57.584 56.100 0.244 0.000 0.952 432 R CB 0.119 30.532 30.300 0.188 0.000 0.854 432 R HN 0.480 nan 8.270 nan 0.000 0.436 433 S N -1.224 114.641 115.700 0.276 0.000 2.532 433 S HA 0.401 4.871 4.470 0.000 0.000 0.299 433 S C -1.811 172.984 174.600 0.324 0.000 1.105 433 S CA -0.616 57.734 58.200 0.250 0.000 1.018 433 S CB 1.866 65.151 63.200 0.143 0.000 1.021 433 S HN 0.368 nan 8.310 nan 0.000 0.483 434 W N 4.455 125.834 121.300 0.132 0.000 3.372 434 W HA 0.527 5.187 4.660 0.000 0.000 0.315 434 W C -3.009 173.611 176.519 0.168 0.000 1.223 434 W CA -1.512 55.871 57.345 0.064 0.000 1.202 434 W CB 1.200 30.692 29.460 0.053 0.000 1.367 434 W HN 0.409 nan 8.180 nan 0.000 0.531 435 P HA 0.225 nan 4.420 nan 0.000 0.279 435 P C 0.263 177.244 177.300 -0.532 0.000 1.276 435 P CA -0.089 62.248 63.100 -1.272 0.000 0.801 435 P CB 1.442 32.300 31.700 -1.404 0.000 1.127 436 S N -1.342 114.081 115.700 -0.462 0.000 2.517 436 S HA 0.218 4.688 4.470 0.000 0.000 0.214 436 S C 0.478 174.957 174.600 -0.202 0.000 0.991 436 S CA 0.037 58.099 58.200 -0.229 0.000 0.906 436 S CB -0.718 62.391 63.200 -0.151 0.000 0.789 436 S HN 0.381 nan 8.310 nan 0.000 0.513 437 V N -0.471 119.286 119.914 -0.262 0.000 2.841 437 V HA 0.913 5.033 4.120 0.000 0.000 0.310 437 V C -0.311 175.654 176.094 -0.215 0.000 1.090 437 V CA -0.791 61.395 62.300 -0.189 0.000 0.930 437 V CB 0.497 32.232 31.823 -0.146 0.000 1.014 437 V HN 0.898 nan 8.190 nan 0.000 0.425 438 C N 1.474 120.684 119.300 -0.150 0.000 3.253 438 C HA 0.554 5.014 4.460 0.000 0.000 0.361 438 C C 1.007 175.952 174.990 -0.075 0.000 1.498 438 C CA 0.084 59.022 59.018 -0.134 0.000 1.163 438 C CB 1.119 28.761 27.740 -0.163 0.000 1.687 438 C HN 0.975 nan 8.230 nan 0.000 0.430 439 E N 1.185 121.358 120.200 -0.046 0.000 2.106 439 E HA 0.058 4.408 4.350 0.000 0.000 0.192 439 E C 0.720 177.313 176.600 -0.012 0.000 0.984 439 E CA 1.819 58.215 56.400 -0.006 0.000 0.806 439 E CB 0.087 29.813 29.700 0.043 0.000 0.750 439 E HN 0.862 nan 8.360 nan 0.000 0.458 440 S N -1.181 114.504 115.700 -0.025 0.000 2.550 440 S HA 0.302 4.772 4.470 0.000 0.000 0.270 440 S C -0.422 174.155 174.600 -0.038 0.000 1.145 440 S CA -0.800 57.386 58.200 -0.024 0.000 0.852 440 S CB 1.376 64.570 63.200 -0.010 0.000 1.119 440 S HN 0.304 nan 8.310 nan 0.000 0.465 441 N N -0.637 118.042 118.700 -0.034 0.000 2.754 441 N HA -0.154 4.586 4.740 0.000 0.000 0.248 441 N C -0.618 174.860 175.510 -0.054 0.000 1.093 441 N CA 0.690 53.716 53.050 -0.039 0.000 0.699 441 N CB -1.720 36.744 38.487 -0.038 0.000 1.016 441 N HN 0.678 nan 8.380 nan 0.000 0.552 442 C N -1.581 117.684 119.300 -0.059 0.000 2.771 442 C HA 0.352 4.812 4.460 0.000 0.000 0.333 442 C C 2.261 177.217 174.990 -0.057 0.000 1.267 442 C CA -0.470 58.504 59.018 -0.074 0.000 1.721 442 C CB 1.612 29.287 27.740 -0.108 0.000 2.222 442 C HN 0.410 nan 8.230 nan 0.000 0.485 443 T N 0.682 115.201 114.554 -0.058 0.000 2.788 443 T HA 0.095 4.445 4.350 0.000 0.000 0.268 443 T C 0.712 175.386 174.700 -0.043 0.000 1.044 443 T CA 1.739 63.814 62.100 -0.042 0.000 1.139 443 T CB -0.178 68.668 68.868 -0.037 0.000 0.867 443 T HN 0.929 nan 8.240 nan 0.000 0.454 444 G N -1.015 107.750 108.800 -0.058 0.000 2.798 444 G HA2 0.628 4.588 3.960 0.000 0.000 0.286 444 G HA3 0.628 4.588 3.960 0.000 0.000 0.286 444 G C -0.663 174.202 174.900 -0.059 0.000 1.389 444 G CA -0.310 44.758 45.100 -0.053 0.000 0.894 444 G HN 0.357 nan 8.290 nan 0.000 0.488 445 G N -1.400 107.372 108.800 -0.047 0.000 2.667 445 G HA2 0.568 4.528 3.960 0.000 0.000 0.310 445 G HA3 0.568 4.528 3.960 0.000 0.000 0.310 445 G C -1.053 173.820 174.900 -0.045 0.000 1.259 445 G CA -0.661 44.414 45.100 -0.042 0.000 1.019 445 G HN 0.465 nan 8.290 nan 0.000 0.496 446 L N -0.016 121.185 121.223 -0.038 0.000 2.418 446 L HA 0.447 4.787 4.340 0.000 0.000 0.265 446 L C 0.828 177.687 176.870 -0.020 0.000 1.143 446 L CA -0.030 54.788 54.840 -0.037 0.000 0.809 446 L CB 1.422 43.456 42.059 -0.041 0.000 1.124 446 L HN 0.351 nan 8.230 nan 0.000 0.456 447 T N 3.835 118.384 114.554 -0.008 0.000 2.788 447 T HA 0.407 4.757 4.350 0.000 0.000 0.296 447 T C -2.491 172.224 174.700 0.025 0.000 1.009 447 T CA -1.167 60.947 62.100 0.024 0.000 0.949 447 T CB 1.297 70.181 68.868 0.026 0.000 0.946 447 T HN 0.290 nan 8.240 nan 0.000 0.453 448 P HA 0.245 nan 4.420 nan 0.000 0.271 448 P C -0.802 176.265 177.300 -0.388 0.000 1.220 448 P CA -0.721 62.171 63.100 -0.347 0.000 0.768 448 P CB 0.481 31.773 31.700 -0.680 0.000 0.848 449 L N 5.887 126.850 121.223 -0.433 0.000 2.283 449 L HA 0.393 4.733 4.340 0.000 0.000 0.281 449 L C -1.190 175.409 176.870 -0.452 0.000 1.033 449 L CA -0.797 53.725 54.840 -0.530 0.000 0.848 449 L CB -0.517 41.213 42.059 -0.549 0.000 1.226 449 L HN 0.201 nan 8.230 nan 0.000 0.429 450 Y N 4.178 124.327 120.300 -0.252 0.000 2.309 450 Y HA 0.388 4.938 4.550 0.000 0.000 0.327 450 Y C 0.209 175.956 175.900 -0.254 0.000 1.172 450 Y CA -0.460 57.503 58.100 -0.228 0.000 1.280 450 Y CB 0.765 39.095 38.460 -0.216 0.000 1.234 450 Y HN 0.377 nan 8.280 nan 0.000 0.512 451 L N 2.563 123.717 121.223 -0.115 0.000 2.439 451 L HA 0.515 4.855 4.340 0.000 0.000 0.269 451 L C 0.286 177.025 176.870 -0.219 0.000 1.179 451 L CA 0.249 54.901 54.840 -0.312 0.000 0.828 451 L CB 0.238 41.951 42.059 -0.577 0.000 1.106 451 L HN 0.842 nan 8.230 nan 0.000 0.467 452 A N 1.564 124.210 122.820 -0.290 0.000 2.583 452 A HA 0.450 4.770 4.320 0.000 0.000 0.289 452 A C -0.871 176.413 177.584 -0.499 0.000 1.151 452 A CA -0.754 51.076 52.037 -0.345 0.000 0.695 452 A CB 0.671 19.590 19.000 -0.135 0.000 1.290 452 A HN 0.604 nan 8.150 nan 0.000 0.419 453 D N -0.376 119.803 120.400 -0.370 0.000 2.406 453 D HA 0.329 4.969 4.640 0.000 0.000 0.234 453 D C 1.346 177.576 176.300 -0.117 0.000 1.196 453 D CA 2.237 56.105 54.000 -0.220 0.000 0.881 453 D CB 0.468 41.247 40.800 -0.035 0.000 1.205 453 D HN 1.541 nan 8.370 nan 0.000 0.453 454 G N 1.803 110.570 108.800 -0.056 0.000 2.179 454 G HA2 -0.338 3.622 3.960 0.000 0.000 0.257 454 G HA3 -0.338 3.622 3.960 0.000 0.000 0.257 454 G C 0.288 175.249 174.900 0.103 0.000 1.010 454 G CA 0.904 46.031 45.100 0.045 0.000 0.736 454 G HN 0.842 nan 8.290 nan 0.000 0.513 455 H N -2.079 116.935 119.070 -0.093 0.000 2.677 455 H HA -0.038 4.518 4.556 0.000 0.000 0.321 455 H C 1.341 176.660 175.328 -0.016 0.000 1.171 455 H CA 1.997 57.946 56.048 -0.164 0.000 1.139 455 H CB -1.305 28.267 29.762 -0.317 0.000 1.515 455 H HN 1.355 nan 8.280 nan 0.000 0.423 456 G N -0.614 108.253 108.800 0.112 0.000 2.597 456 G HA2 0.729 4.689 3.960 0.000 0.000 0.317 456 G HA3 0.729 4.689 3.960 0.000 0.000 0.317 456 G C -0.790 174.143 174.900 0.055 0.000 1.230 456 G CA -0.972 44.167 45.100 0.066 0.000 0.996 456 G HN 0.176 nan 8.290 nan 0.000 0.490 457 L N 0.128 121.338 121.223 -0.021 0.000 2.401 457 L HA 0.705 5.045 4.340 0.000 0.000 0.266 457 L C -0.349 176.435 176.870 -0.143 0.000 0.991 457 L CA -0.773 54.002 54.840 -0.108 0.000 0.818 457 L CB 2.436 44.402 42.059 -0.154 0.000 1.321 457 L HN 0.612 nan 8.230 nan 0.000 0.413 458 S N 0.677 116.283 115.700 -0.157 0.000 2.533 458 S HA 0.476 4.946 4.470 0.000 0.000 0.271 458 S C -0.007 174.552 174.600 -0.068 0.000 1.143 458 S CA -0.509 57.629 58.200 -0.103 0.000 0.891 458 S CB 0.990 64.192 63.200 0.002 0.000 1.105 458 S HN 0.457 nan 8.310 nan 0.000 0.468 459 F N 1.933 121.934 119.950 0.086 0.000 2.699 459 F HA 0.127 4.654 4.527 0.000 0.000 0.298 459 F C 1.475 177.413 175.800 0.229 0.000 1.154 459 F CA 0.409 58.479 58.000 0.117 0.000 1.457 459 F CB 0.250 39.279 39.000 0.049 0.000 1.106 459 F HN 0.388 nan 8.300 nan 0.000 0.585 460 T N -0.882 113.851 114.554 0.298 0.000 2.771 460 T HA 0.056 4.406 4.350 0.000 0.000 0.291 460 T C -0.498 174.217 174.700 0.025 0.000 0.954 460 T CA -0.411 61.801 62.100 0.186 0.000 1.045 460 T CB 0.236 69.166 68.868 0.103 0.000 0.917 460 T HN 0.132 nan 8.240 nan 0.000 0.484 461 H N 5.077 123.987 119.070 -0.266 0.000 3.138 461 H HA 0.196 4.753 4.556 0.000 0.000 0.275 461 H C -2.153 172.919 175.328 -0.428 0.000 0.997 461 H CA -1.565 53.988 56.048 -0.826 0.000 1.460 461 H CB 0.328 29.724 29.762 -0.609 0.000 1.524 461 H HN 0.275 nan 8.280 nan 0.000 0.532 462 P HA 0.060 nan 4.420 nan 0.000 0.276 462 P C -0.028 177.317 177.300 0.075 0.000 1.253 462 P CA -0.085 62.995 63.100 -0.034 0.000 0.766 462 P CB 1.359 33.029 31.700 -0.050 0.000 0.845 463 A N 3.936 126.764 122.820 0.013 0.000 1.902 463 A HA 0.115 4.435 4.320 0.000 0.000 0.217 463 A C 1.223 178.798 177.584 -0.015 0.000 1.181 463 A CA 1.358 53.378 52.037 -0.027 0.000 0.623 463 A CB -1.000 17.968 19.000 -0.054 0.000 0.818 463 A HN 0.601 nan 8.150 nan 0.000 0.443 464 A N 0.680 123.495 122.820 -0.008 0.000 2.354 464 A HA 0.444 4.764 4.320 0.000 0.000 0.269 464 A C -0.400 177.165 177.584 -0.031 0.000 1.109 464 A CA -0.522 51.506 52.037 -0.015 0.000 0.800 464 A CB 0.129 19.123 19.000 -0.010 0.000 1.045 464 A HN 0.469 nan 8.150 nan 0.000 0.489 465 D N 0.483 120.853 120.400 -0.049 0.000 2.339 465 D HA 0.506 5.146 4.640 0.000 0.000 0.245 465 D C 0.403 176.517 176.300 -0.311 0.000 1.115 465 D CA 1.027 54.957 54.000 -0.118 0.000 0.917 465 D CB 1.650 42.479 40.800 0.047 0.000 1.192 465 D HN 0.769 nan 8.370 nan 0.000 0.428 466 G N -1.071 107.256 108.800 -0.788 0.000 2.550 466 G HA2 0.629 4.589 3.960 0.000 0.000 0.293 466 G HA3 0.629 4.589 3.960 0.000 0.000 0.293 466 G C -2.016 172.174 174.900 -1.182 0.000 1.402 466 G CA -0.369 44.219 45.100 -0.853 0.000 0.784 466 G HN 0.623 nan 8.290 nan 0.000 0.482 467 A N 0.092 122.552 122.820 -0.599 0.000 2.582 467 A HA 0.691 5.011 4.320 0.000 0.000 0.297 467 A C -2.165 175.440 177.584 0.035 0.000 1.059 467 A CA -0.652 51.230 52.037 -0.259 0.000 0.705 467 A CB 1.865 20.793 19.000 -0.120 0.000 1.279 467 A HN 0.484 nan 8.150 nan 0.000 0.404 468 D N 1.317 121.814 120.400 0.162 0.000 2.362 468 D HA 0.666 5.306 4.640 0.000 0.000 0.247 468 D C -0.441 175.997 176.300 0.230 0.000 1.050 468 D CA 0.062 54.177 54.000 0.193 0.000 0.839 468 D CB 2.058 42.972 40.800 0.190 0.000 1.283 468 D HN 0.381 nan 8.370 nan 0.000 0.477 469 S N 1.060 116.879 115.700 0.200 0.000 2.578 469 S HA 0.722 5.192 4.470 0.000 0.000 0.301 469 S C -0.792 173.959 174.600 0.252 0.000 1.091 469 S CA -0.856 57.445 58.200 0.168 0.000 1.032 469 S CB 1.186 64.442 63.200 0.094 0.000 1.064 469 S HN 0.474 nan 8.310 nan 0.000 0.508 470 Y N -1.699 118.684 120.300 0.137 0.000 2.544 470 Y HA 0.769 5.319 4.550 0.000 0.000 0.342 470 Y C -1.381 174.579 175.900 0.100 0.000 1.062 470 Y CA -1.431 56.736 58.100 0.113 0.000 1.023 470 Y CB 0.406 38.938 38.460 0.120 0.000 1.308 470 Y HN 0.318 nan 8.280 nan 0.000 0.457 471 V N 2.783 122.809 119.914 0.188 0.000 2.407 471 V HA 0.426 4.546 4.120 0.000 0.000 0.278 471 V C -0.098 176.101 176.094 0.174 0.000 1.037 471 V CA -0.381 61.978 62.300 0.099 0.000 0.900 471 V CB 1.314 33.188 31.823 0.085 0.000 0.983 471 V HN 0.835 nan 8.190 nan 0.000 0.459 472 S N 3.477 119.237 115.700 0.101 0.000 2.461 472 S HA 0.332 4.802 4.470 0.000 0.000 0.322 472 S C -0.757 173.897 174.600 0.089 0.000 1.063 472 S CA -0.642 57.635 58.200 0.128 0.000 1.120 472 S CB 0.483 63.728 63.200 0.075 0.000 0.968 472 S HN 0.821 nan 8.310 nan 0.000 0.467 473 D N 5.456 125.925 120.400 0.116 0.000 2.414 473 D HA 0.452 5.092 4.640 0.000 0.000 0.232 473 D C -1.826 174.524 176.300 0.083 0.000 1.070 473 D CA -2.275 51.794 54.000 0.115 0.000 0.839 473 D CB 1.938 42.845 40.800 0.178 0.000 1.079 473 D HN 0.214 nan 8.370 nan 0.000 0.521 474 P HA -0.052 nan 4.420 nan 0.000 0.223 474 P C 0.783 177.983 177.300 -0.166 0.000 1.144 474 P CA 0.730 63.814 63.100 -0.026 0.000 0.783 474 P CB 0.272 32.032 31.700 0.100 0.000 0.771 475 A N -1.627 121.109 122.820 -0.140 0.000 2.167 475 A HA -0.073 4.247 4.320 0.000 0.000 0.214 475 A C 0.336 177.596 177.584 -0.539 0.000 1.151 475 A CA 0.931 52.772 52.037 -0.326 0.000 0.735 475 A CB -1.002 17.824 19.000 -0.291 0.000 0.802 475 A HN 0.280 nan 8.150 nan 0.000 0.467 476 H N -0.536 118.522 119.070 -0.020 0.000 2.514 476 H HA 0.254 4.810 4.556 0.000 0.000 0.226 476 H C -2.831 172.547 175.328 0.083 0.000 1.421 476 H CA -1.508 54.580 56.048 0.065 0.000 1.394 476 H CB 0.682 30.490 29.762 0.078 0.000 1.701 476 H HN 0.260 nan 8.280 nan 0.000 0.515 477 P HA 0.014 nan 4.420 nan 0.000 0.272 477 P C 0.145 177.640 177.300 0.325 0.000 1.230 477 P CA -0.339 62.821 63.100 0.099 0.000 0.788 477 P CB 1.596 33.166 31.700 -0.216 0.000 0.949 478 V N 3.694 123.793 119.914 0.308 0.000 2.470 478 V HA 0.121 4.241 4.120 0.000 0.000 0.276 478 V C -1.929 174.442 176.094 0.462 0.000 1.040 478 V CA -1.342 61.155 62.300 0.328 0.000 1.008 478 V CB 0.078 32.059 31.823 0.265 0.000 0.990 478 V HN 0.554 nan 8.190 nan 0.000 0.477 479 P HA 0.102 nan 4.420 nan 0.000 0.271 479 P C 0.472 177.944 177.300 0.285 0.000 1.220 479 P CA -0.284 63.037 63.100 0.368 0.000 0.768 479 P CB 0.371 32.126 31.700 0.092 0.000 0.848 480 F N 4.867 124.833 119.950 0.027 0.000 2.234 480 F HA 0.072 4.599 4.527 0.000 0.000 0.299 480 F C 0.594 176.287 175.800 -0.178 0.000 1.087 480 F CA 0.449 58.334 58.000 -0.192 0.000 1.340 480 F CB -0.668 37.806 39.000 -0.876 0.000 1.031 480 F HN 0.146 nan 8.300 nan 0.000 0.500 481 I N -2.858 117.131 120.570 -0.968 0.000 3.095 481 I HA 0.503 4.673 4.170 0.000 0.000 0.310 481 I C -0.274 175.578 176.117 -0.443 0.000 1.196 481 I CA -1.444 59.428 61.300 -0.714 0.000 0.985 481 I CB 1.744 39.161 38.000 -0.971 0.000 1.250 481 I HN -0.267 nan 8.210 nan 0.000 0.446 482 S N 2.215 117.756 115.700 -0.266 0.000 2.558 482 S HA 0.139 4.609 4.470 0.000 0.000 0.293 482 S C 0.230 174.743 174.600 -0.144 0.000 1.292 482 S CA -0.338 57.762 58.200 -0.167 0.000 1.063 482 S CB -0.030 63.099 63.200 -0.118 0.000 0.831 482 S HN 0.463 nan 8.310 nan 0.000 0.499 483 R N 2.777 123.197 120.500 -0.134 0.000 2.641 483 R HA 0.293 4.633 4.340 0.000 0.000 0.269 483 R C -2.000 174.265 176.300 -0.058 0.000 1.074 483 R CA -1.114 54.925 56.100 -0.103 0.000 1.133 483 R CB -0.203 29.985 30.300 -0.187 0.000 1.029 483 R HN 0.455 nan 8.270 nan 0.000 0.488 484 P HA 0.283 nan 4.420 nan 0.000 0.287 484 P C -1.389 175.950 177.300 0.066 0.000 1.270 484 P CA -0.371 62.733 63.100 0.008 0.000 0.844 484 P CB 0.863 32.563 31.700 -0.000 0.000 1.068 485 F N 0.768 120.656 119.950 -0.103 0.000 2.581 485 F HA 0.648 5.175 4.527 0.000 0.000 0.311 485 F C -1.746 173.952 175.800 -0.171 0.000 1.113 485 F CA -0.636 57.272 58.000 -0.154 0.000 0.935 485 F CB 1.797 40.650 39.000 -0.245 0.000 1.232 485 F HN 0.545 nan 8.300 nan 0.000 0.445 486 A N 5.102 127.227 122.820 -1.159 0.000 2.365 486 A HA 0.556 4.876 4.320 0.000 0.000 0.318 486 A C -0.333 176.358 177.584 -1.489 0.000 1.091 486 A CA -0.626 50.809 52.037 -1.003 0.000 0.763 486 A CB 0.501 19.245 19.000 -0.427 0.000 1.248 486 A HN 0.858 nan 8.150 nan 0.000 0.442 487 F N 1.415 120.851 119.950 -0.856 0.000 2.373 487 F HA -0.137 4.390 4.527 0.000 0.000 0.300 487 F C 2.462 178.031 175.800 -0.386 0.000 1.080 487 F CA 1.761 59.403 58.000 -0.596 0.000 1.417 487 F CB 0.085 38.833 39.000 -0.421 0.000 1.070 487 F HN 0.647 nan 8.300 nan 0.000 0.546 488 A N -0.751 121.969 122.820 -0.167 0.000 2.119 488 A HA -0.084 4.236 4.320 0.000 0.000 0.216 488 A C 1.282 178.829 177.584 -0.062 0.000 1.152 488 A CA 0.307 52.294 52.037 -0.083 0.000 0.708 488 A CB -0.488 18.471 19.000 -0.067 0.000 0.805 488 A HN 0.343 nan 8.150 nan 0.000 0.460 489 Q N 0.826 120.554 119.800 -0.120 0.000 2.837 489 Q HA 0.201 4.541 4.340 0.000 0.000 0.235 489 Q C 0.711 176.813 176.000 0.169 0.000 1.348 489 Q CA -0.287 55.516 55.803 -0.000 0.000 0.990 489 Q CB 0.174 28.892 28.738 -0.033 0.000 1.570 489 Q HN 0.544 nan 8.270 nan 0.000 0.575 490 S N 0.451 116.243 115.700 0.154 0.000 2.374 490 S HA -0.229 4.241 4.470 0.000 0.000 0.227 490 S C 2.046 176.788 174.600 0.237 0.000 1.037 490 S CA 1.723 60.066 58.200 0.238 0.000 1.024 490 S CB -0.105 63.184 63.200 0.148 0.000 0.861 490 S HN 0.767 nan 8.310 nan 0.000 0.456 491 S N 1.753 117.542 115.700 0.147 0.000 2.419 491 S HA -0.062 4.408 4.470 0.000 0.000 0.235 491 S C 1.686 176.364 174.600 0.131 0.000 1.019 491 S CA 0.736 58.999 58.200 0.106 0.000 0.982 491 S CB -0.273 62.963 63.200 0.060 0.000 0.789 491 S HN 0.484 nan 8.310 nan 0.000 0.490 492 R N -0.967 119.657 120.500 0.207 0.000 2.206 492 R HA 0.171 4.511 4.340 0.000 0.000 0.198 492 R C 2.075 178.538 176.300 0.272 0.000 0.986 492 R CA 0.541 56.763 56.100 0.203 0.000 1.029 492 R CB -0.269 30.172 30.300 0.234 0.000 0.966 492 R HN 0.668 nan 8.270 nan 0.000 0.487 493 W N 2.828 124.267 121.300 0.233 0.000 2.407 493 W HA -0.127 4.533 4.660 0.000 0.000 0.305 493 W C 1.112 177.806 176.519 0.293 0.000 1.196 493 W CA 1.174 58.681 57.345 0.270 0.000 1.311 493 W CB 0.012 29.675 29.460 0.338 0.000 1.135 493 W HN -0.080 nan 8.180 nan 0.000 0.514 494 K N 0.109 120.566 120.400 0.094 0.000 2.034 494 K HA -0.194 4.126 4.320 0.000 0.000 0.214 494 K C -1.100 175.424 176.600 -0.127 0.000 1.051 494 K CA 2.057 58.307 56.287 -0.060 0.000 0.931 494 K CB -1.573 30.965 32.500 0.063 0.000 0.715 494 K HN 0.153 nan 8.250 nan 0.000 0.446 495 P HA -0.031 nan 4.420 nan 0.000 0.248 495 P C 0.213 177.421 177.300 -0.153 0.000 1.708 495 P CA -0.134 62.886 63.100 -0.133 0.000 1.062 495 P CB -0.637 31.007 31.700 -0.093 0.000 1.562 496 W N 0.040 121.160 121.300 -0.300 0.000 2.425 496 W HA -0.038 4.622 4.660 0.000 0.000 0.277 496 W C 0.483 176.871 176.519 -0.218 0.000 1.231 496 W CA 0.115 57.284 57.345 -0.294 0.000 1.248 496 W CB -1.301 27.948 29.460 -0.352 0.000 1.117 496 W HN -0.140 nan 8.180 nan 0.000 0.568 497 L N 2.094 122.759 121.223 -0.931 0.000 2.465 497 L HA -0.124 4.216 4.340 0.000 0.000 0.224 497 L C 2.163 178.760 176.870 -0.455 0.000 1.145 497 L CA 0.974 55.309 54.840 -0.842 0.000 0.834 497 L CB -0.446 41.223 42.059 -0.650 0.000 0.944 497 L HN -0.005 nan 8.230 nan 0.000 0.451 498 V N -4.779 114.846 119.914 -0.482 0.000 3.483 498 V HA 0.196 4.316 4.120 0.000 0.000 0.301 498 V C 0.802 176.833 176.094 -0.106 0.000 1.389 498 V CA -0.454 61.570 62.300 -0.460 0.000 1.101 498 V CB -0.151 31.214 31.823 -0.764 0.000 0.971 498 V HN 0.127 nan 8.190 nan 0.000 0.434 499 Q N 1.830 121.595 119.800 -0.058 0.000 2.373 499 Q HA 0.242 4.582 4.340 0.000 0.000 0.255 499 Q C -0.261 175.697 176.000 -0.071 0.000 0.980 499 Q CA 0.125 55.934 55.803 0.011 0.000 0.882 499 Q CB 1.055 29.784 28.738 -0.015 0.000 1.249 499 Q HN 0.543 nan 8.270 nan 0.000 0.438 500 D N 1.599 121.792 120.400 -0.345 0.000 2.493 500 D HA -0.085 4.555 4.640 0.000 0.000 0.240 500 D C 0.182 176.310 176.300 -0.286 0.000 1.142 500 D CA 0.362 53.921 54.000 -0.736 0.000 0.872 500 D CB 0.746 40.982 40.800 -0.940 0.000 1.173 500 D HN 0.193 nan 8.370 nan 0.000 0.467 501 Q N 3.320 123.007 119.800 -0.189 0.000 2.222 501 Q HA 0.101 4.441 4.340 0.000 0.000 0.206 501 Q C 1.295 177.257 176.000 -0.062 0.000 0.877 501 Q CA -0.033 55.741 55.803 -0.048 0.000 0.958 501 Q CB 0.240 28.998 28.738 0.032 0.000 1.075 501 Q HN 0.491 nan 8.270 nan 0.000 0.483 502 R N 0.503 120.930 120.500 -0.122 0.000 2.148 502 R HA -0.101 4.239 4.340 0.000 0.000 0.223 502 R C 1.936 178.198 176.300 -0.064 0.000 1.088 502 R CA 0.860 56.905 56.100 -0.092 0.000 0.985 502 R CB 0.209 30.441 30.300 -0.114 0.000 0.880 502 R HN 0.370 nan 8.270 nan 0.000 0.451 503 E N 0.712 120.877 120.200 -0.060 0.000 2.051 503 E HA -0.207 4.143 4.350 0.000 0.000 0.192 503 E C 1.854 178.444 176.600 -0.017 0.000 0.991 503 E CA 1.275 57.651 56.400 -0.039 0.000 0.799 503 E CB -0.011 29.665 29.700 -0.041 0.000 0.748 503 E HN 0.339 nan 8.360 nan 0.000 0.449 504 A N 1.368 124.191 122.820 0.004 0.000 1.877 504 A HA -0.255 4.065 4.320 0.000 0.000 0.216 504 A C 2.093 179.669 177.584 -0.012 0.000 1.186 504 A CA 1.747 53.797 52.037 0.022 0.000 0.620 504 A CB -0.730 18.304 19.000 0.058 0.000 0.822 504 A HN 0.485 nan 8.150 nan 0.000 0.443 505 E N 0.511 120.697 120.200 -0.024 0.000 2.130 505 E HA -0.215 4.135 4.350 0.000 0.000 0.196 505 E C 1.933 178.499 176.600 -0.056 0.000 0.998 505 E CA 1.656 58.029 56.400 -0.045 0.000 0.806 505 E CB -0.145 29.526 29.700 -0.048 0.000 0.738 505 E HN 0.729 nan 8.360 nan 0.000 0.459 506 S N -0.252 115.421 115.700 -0.045 0.000 2.603 506 S HA 0.008 4.478 4.470 0.000 0.000 0.229 506 S C 0.703 175.280 174.600 -0.038 0.000 0.972 506 S CA -0.128 58.044 58.200 -0.045 0.000 0.935 506 S CB -0.087 63.089 63.200 -0.040 0.000 0.769 506 S HN 0.106 nan 8.310 nan 0.000 0.536 507 R N 1.652 122.134 120.500 -0.030 0.000 2.486 507 R HA 0.381 4.721 4.340 0.000 0.000 0.286 507 R C -2.005 174.285 176.300 -0.018 0.000 0.999 507 R CA -2.173 53.917 56.100 -0.016 0.000 0.993 507 R CB 0.545 30.848 30.300 0.004 0.000 1.084 507 R HN 0.089 nan 8.270 nan 0.000 0.487 508 P HA -0.032 nan 4.420 nan 0.000 0.249 508 P C -0.470 176.878 177.300 0.081 0.000 1.229 508 P CA 0.699 63.817 63.100 0.030 0.000 0.788 508 P CB 0.247 31.968 31.700 0.035 0.000 1.072 509 D N -0.745 119.694 120.400 0.065 0.000 2.427 509 D HA 0.128 4.768 4.640 0.000 0.000 0.224 509 D C -0.025 176.198 176.300 -0.129 0.000 1.157 509 D CA -0.734 53.341 54.000 0.124 0.000 0.828 509 D CB -0.200 40.697 40.800 0.161 0.000 0.974 509 D HN -0.057 nan 8.370 nan 0.000 0.498 510 V N 0.645 120.430 119.914 -0.213 0.000 2.733 510 V HA 0.377 4.497 4.120 0.000 0.000 0.306 510 V C -0.318 175.621 176.094 -0.258 0.000 1.084 510 V CA -1.243 60.867 62.300 -0.316 0.000 0.905 510 V CB 2.302 34.047 31.823 -0.130 0.000 1.010 510 V HN 0.164 nan 8.190 nan 0.000 0.424 511 V N 1.375 121.119 119.914 -0.283 0.000 2.398 511 V HA 0.839 4.959 4.120 0.000 0.000 0.286 511 V C -0.126 175.947 176.094 -0.035 0.000 1.026 511 V CA -0.117 62.137 62.300 -0.077 0.000 0.868 511 V CB 1.398 33.298 31.823 0.128 0.000 0.982 511 V HN 0.822 nan 8.190 nan 0.000 0.443 512 T N 5.323 119.796 114.554 -0.136 0.000 2.841 512 T HA 0.727 5.077 4.350 0.000 0.000 0.283 512 T C -1.236 173.327 174.700 -0.227 0.000 1.000 512 T CA -0.116 61.934 62.100 -0.082 0.000 0.977 512 T CB 1.149 69.969 68.868 -0.080 0.000 0.979 512 T HN 0.666 nan 8.240 nan 0.000 0.446 513 Y N 1.548 121.881 120.300 0.054 0.000 2.462 513 Y HA 0.565 5.115 4.550 0.000 0.000 0.346 513 Y C 0.317 176.210 175.900 -0.011 0.000 0.976 513 Y CA -1.133 56.986 58.100 0.031 0.000 1.044 513 Y CB 1.811 40.258 38.460 -0.021 0.000 1.230 513 Y HN 0.695 nan 8.280 nan 0.000 0.455 514 E N -0.352 119.917 120.200 0.115 0.000 2.366 514 E HA 0.509 4.859 4.350 0.000 0.000 0.278 514 E C -1.104 175.502 176.600 0.009 0.000 0.923 514 E CA -1.175 55.249 56.400 0.041 0.000 0.761 514 E CB 1.886 31.603 29.700 0.028 0.000 1.231 514 E HN 0.543 nan 8.360 nan 0.000 0.443 515 T N 0.009 114.545 114.554 -0.029 0.000 2.726 515 T HA 0.183 4.533 4.350 0.000 0.000 0.294 515 T C 0.436 175.137 174.700 0.002 0.000 1.013 515 T CA -0.724 61.355 62.100 -0.036 0.000 0.996 515 T CB 0.709 69.535 68.868 -0.069 0.000 1.016 515 T HN 0.465 nan 8.240 nan 0.000 0.529 516 E N 0.090 120.298 120.200 0.013 0.000 2.369 516 E HA 0.227 4.577 4.350 0.000 0.000 0.255 516 E C 0.187 176.811 176.600 0.040 0.000 1.172 516 E CA -0.486 55.930 56.400 0.026 0.000 0.932 516 E CB 1.157 30.875 29.700 0.030 0.000 1.040 516 E HN 0.624 nan 8.360 nan 0.000 0.454 517 V N 2.129 122.070 119.914 0.045 0.000 2.599 517 V HA 0.026 4.146 4.120 0.000 0.000 0.300 517 V C 0.124 176.263 176.094 0.075 0.000 1.034 517 V CA -0.178 62.160 62.300 0.063 0.000 1.115 517 V CB -0.278 31.577 31.823 0.054 0.000 0.934 517 V HN 0.406 nan 8.190 nan 0.000 0.485 518 L N 6.130 127.415 121.223 0.104 0.000 2.455 518 L HA 0.261 4.601 4.340 0.000 0.000 0.272 518 L C 0.911 177.837 176.870 0.093 0.000 1.174 518 L CA -0.061 54.844 54.840 0.108 0.000 0.869 518 L CB 0.260 42.403 42.059 0.141 0.000 1.130 518 L HN 0.695 nan 8.230 nan 0.000 0.474 519 D N 0.681 121.127 120.400 0.076 0.000 2.366 519 D HA 0.073 4.713 4.640 0.000 0.000 0.205 519 D C 0.248 176.580 176.300 0.055 0.000 1.022 519 D CA 0.785 54.821 54.000 0.060 0.000 0.868 519 D CB 0.645 41.474 40.800 0.049 0.000 0.953 519 D HN 0.432 nan 8.370 nan 0.000 0.514 520 E N 0.622 120.858 120.200 0.060 0.000 2.331 520 E HA 0.304 4.654 4.350 0.000 0.000 0.275 520 E C -2.569 174.067 176.600 0.061 0.000 0.895 520 E CA -1.842 54.586 56.400 0.047 0.000 0.753 520 E CB 2.739 32.457 29.700 0.030 0.000 1.216 520 E HN -0.087 nan 8.360 nan 0.000 0.434 521 P HA 0.114 nan 4.420 nan 0.000 0.275 521 P C -0.260 177.083 177.300 0.072 0.000 1.227 521 P CA -0.402 62.732 63.100 0.056 0.000 0.781 521 P CB 0.773 32.477 31.700 0.007 0.000 0.906 522 V N 1.972 121.974 119.914 0.146 0.000 2.409 522 V HA 0.550 4.670 4.120 0.000 0.000 0.291 522 V C -0.250 175.965 176.094 0.201 0.000 1.020 522 V CA -0.926 61.468 62.300 0.156 0.000 0.848 522 V CB 1.452 33.393 31.823 0.196 0.000 0.990 522 V HN 0.364 nan 8.190 nan 0.000 0.430 523 R N 3.983 124.542 120.500 0.099 0.000 2.428 523 R HA 0.820 5.160 4.340 0.000 0.000 0.294 523 R C -0.726 175.634 176.300 0.101 0.000 1.000 523 R CA -0.547 55.591 56.100 0.063 0.000 0.960 523 R CB 2.012 32.324 30.300 0.019 0.000 1.076 523 R HN 0.949 nan 8.270 nan 0.000 0.475 524 V N -1.535 118.442 119.914 0.105 0.000 2.760 524 V HA 0.714 4.834 4.120 0.000 0.000 0.309 524 V C -0.654 175.488 176.094 0.080 0.000 1.077 524 V CA -0.671 61.698 62.300 0.116 0.000 0.910 524 V CB 2.098 34.054 31.823 0.221 0.000 1.008 524 V HN 0.713 nan 8.190 nan 0.000 0.424 525 S N 2.384 118.116 115.700 0.053 0.000 2.536 525 S HA 0.856 5.326 4.470 0.000 0.000 0.246 525 S C -0.153 174.448 174.600 0.002 0.000 1.077 525 S CA 0.704 58.965 58.200 0.102 0.000 1.091 525 S CB 0.416 63.675 63.200 0.098 0.000 1.148 525 S HN 2.533 nan 8.310 nan 0.000 0.447 526 G N 1.518 110.354 108.800 0.060 0.000 2.356 526 G HA2 0.312 4.272 3.960 0.000 0.000 0.266 526 G HA3 0.312 4.272 3.960 0.000 0.000 0.266 526 G C -1.088 173.755 174.900 -0.096 0.000 1.312 526 G CA 0.045 44.998 45.100 -0.245 0.000 0.922 526 G HN 1.722 nan 8.290 nan 0.000 0.480 527 V N 0.095 119.910 119.914 -0.166 0.000 2.347 527 V HA 0.794 4.914 4.120 0.000 0.000 0.280 527 V C -2.390 173.662 176.094 -0.070 0.000 1.021 527 V CA -1.790 60.461 62.300 -0.082 0.000 0.847 527 V CB 1.271 33.037 31.823 -0.094 0.000 0.990 527 V HN 0.623 nan 8.190 nan 0.000 0.444 528 P HA 0.436 nan 4.420 nan 0.000 0.272 528 P C -0.948 176.290 177.300 -0.103 0.000 1.240 528 P CA -0.262 62.804 63.100 -0.057 0.000 0.791 528 P CB 1.001 32.687 31.700 -0.023 0.000 0.978 529 V N 0.192 120.001 119.914 -0.176 0.000 2.569 529 V HA 0.541 4.661 4.120 0.000 0.000 0.301 529 V C -0.057 175.775 176.094 -0.436 0.000 1.044 529 V CA -1.069 61.041 62.300 -0.317 0.000 0.874 529 V CB 1.488 33.106 31.823 -0.342 0.000 1.002 529 V HN 0.687 nan 8.190 nan 0.000 0.424 530 A N 2.631 125.053 122.820 -0.665 0.000 2.409 530 A HA 0.534 4.854 4.320 0.000 0.000 0.267 530 A C -0.142 177.043 177.584 -0.664 0.000 1.127 530 A CA 0.084 51.688 52.037 -0.721 0.000 0.795 530 A CB 0.038 18.358 19.000 -1.133 0.000 1.061 530 A HN 0.878 nan 8.150 nan 0.000 0.502 531 D N 2.437 122.621 120.400 -0.360 0.000 2.458 531 D HA 0.419 5.059 4.640 0.000 0.000 0.258 531 D C -1.054 175.174 176.300 -0.119 0.000 1.134 531 D CA -0.134 53.772 54.000 -0.156 0.000 0.915 531 D CB 0.388 41.212 40.800 0.040 0.000 1.028 531 D HN 0.341 nan 8.370 nan 0.000 0.508 532 L N 3.401 124.502 121.223 -0.204 0.000 2.289 532 L HA 0.585 4.925 4.340 0.000 0.000 0.285 532 L C -1.460 175.290 176.870 -0.199 0.000 1.049 532 L CA -0.312 54.445 54.840 -0.139 0.000 0.804 532 L CB 0.625 42.589 42.059 -0.157 0.000 1.195 532 L HN 0.150 nan 8.230 nan 0.000 0.428 533 F N 5.291 125.264 119.950 0.039 0.000 2.430 533 F HA 0.745 5.272 4.527 0.000 0.000 0.362 533 F C 0.258 176.046 175.800 -0.020 0.000 1.103 533 F CA -0.253 57.762 58.000 0.026 0.000 1.045 533 F CB 1.360 40.352 39.000 -0.014 0.000 1.276 533 F HN 0.640 nan 8.300 nan 0.000 0.444 534 A N 2.046 124.892 122.820 0.042 0.000 2.498 534 A HA 0.972 5.292 4.320 0.000 0.000 0.298 534 A C -1.398 176.200 177.584 0.023 0.000 1.075 534 A CA -0.648 51.311 52.037 -0.130 0.000 0.714 534 A CB 1.429 19.945 19.000 -0.806 0.000 1.299 534 A HN 0.773 nan 8.150 nan 0.000 0.407 535 A N 0.161 123.047 122.820 0.110 0.000 2.413 535 A HA 0.927 5.247 4.320 0.000 0.000 0.307 535 A C -0.262 177.518 177.584 0.327 0.000 1.087 535 A CA -0.244 51.920 52.037 0.212 0.000 0.750 535 A CB 1.702 20.787 19.000 0.142 0.000 1.296 535 A HN 1.460 nan 8.150 nan 0.000 0.423 536 T N -0.793 113.945 114.554 0.308 0.000 2.906 536 T HA 0.477 4.827 4.350 0.000 0.000 0.295 536 T C 0.983 175.760 174.700 0.128 0.000 1.061 536 T CA 0.288 62.525 62.100 0.229 0.000 1.000 536 T CB 1.315 70.326 68.868 0.238 0.000 1.103 536 T HN 1.330 nan 8.240 nan 0.000 0.486 537 S N 1.494 117.239 115.700 0.076 0.000 2.593 537 S HA 0.326 4.796 4.470 0.000 0.000 0.217 537 S C 1.040 175.672 174.600 0.052 0.000 0.966 537 S CA 0.031 58.265 58.200 0.056 0.000 0.914 537 S CB -0.121 63.102 63.200 0.039 0.000 0.776 537 S HN 0.868 nan 8.310 nan 0.000 0.523 538 G N 0.999 109.833 108.800 0.057 0.000 2.671 538 G HA2 0.463 4.423 3.960 0.000 0.000 0.275 538 G HA3 0.463 4.423 3.960 0.000 0.000 0.275 538 G C 0.366 175.308 174.900 0.071 0.000 1.368 538 G CA 0.017 45.147 45.100 0.050 0.000 1.044 538 G HN 0.360 nan 8.290 nan 0.000 0.543 539 T N -2.748 111.851 114.554 0.075 0.000 3.129 539 T HA 0.351 4.701 4.350 0.000 0.000 0.267 539 T C -0.266 174.519 174.700 0.142 0.000 1.018 539 T CA -0.093 62.065 62.100 0.096 0.000 0.903 539 T CB 0.325 69.250 68.868 0.094 0.000 1.067 539 T HN 0.414 nan 8.240 nan 0.000 0.549 540 D N -0.398 120.069 120.400 0.112 0.000 2.648 540 D HA 0.617 5.257 4.640 0.000 0.000 0.244 540 D C -1.615 174.692 176.300 0.011 0.000 1.244 540 D CA -0.169 53.896 54.000 0.108 0.000 0.772 540 D CB 2.109 42.972 40.800 0.105 0.000 1.379 540 D HN 0.037 nan 8.370 nan 0.000 0.428 541 S N 0.429 116.098 115.700 -0.051 0.000 2.614 541 S HA 0.362 4.832 4.470 0.000 0.000 0.280 541 S C -2.005 172.315 174.600 -0.467 0.000 1.111 541 S CA -0.789 57.217 58.200 -0.324 0.000 0.847 541 S CB 1.405 64.263 63.200 -0.570 0.000 1.079 541 S HN 0.383 nan 8.310 nan 0.000 0.452 542 D N 0.429 120.477 120.400 -0.588 0.000 2.217 542 D HA 0.614 5.254 4.640 0.000 0.000 0.248 542 D C -1.202 174.623 176.300 -0.791 0.000 1.008 542 D CA -0.004 53.723 54.000 -0.455 0.000 0.914 542 D CB 0.869 41.550 40.800 -0.197 0.000 1.182 542 D HN 0.442 nan 8.370 nan 0.000 0.451 543 W N 0.790 122.056 121.300 -0.057 0.000 2.687 543 W HA 0.453 5.113 4.660 0.000 0.000 0.328 543 W C -1.047 175.435 176.519 -0.061 0.000 1.012 543 W CA -0.879 56.428 57.345 -0.063 0.000 1.262 543 W CB 1.259 30.621 29.460 -0.164 0.000 1.331 543 W HN -0.075 nan 8.180 nan 0.000 0.433 544 V N 4.562 124.527 119.914 0.084 0.000 2.370 544 V HA 0.528 4.648 4.120 0.000 0.000 0.283 544 V C -0.291 175.780 176.094 -0.039 0.000 1.023 544 V CA -0.906 61.291 62.300 -0.171 0.000 0.857 544 V CB 1.340 32.792 31.823 -0.618 0.000 0.985 544 V HN 0.297 nan 8.190 nan 0.000 0.443 545 V N 5.748 125.686 119.914 0.040 0.000 2.540 545 V HA 0.532 4.652 4.120 0.000 0.000 0.302 545 V C -0.295 175.835 176.094 0.060 0.000 1.035 545 V CA -0.934 61.412 62.300 0.077 0.000 0.873 545 V CB 1.958 33.859 31.823 0.131 0.000 0.992 545 V HN 0.861 nan 8.190 nan 0.000 0.428 546 K N 4.459 124.892 120.400 0.054 0.000 2.376 546 K HA 0.616 4.936 4.320 0.000 0.000 0.257 546 K C -1.295 175.365 176.600 0.099 0.000 0.939 546 K CA -0.820 55.529 56.287 0.104 0.000 0.809 546 K CB 2.566 35.138 32.500 0.119 0.000 1.121 546 K HN 0.448 nan 8.250 nan 0.000 0.425 547 L N 4.909 126.202 121.223 0.116 0.000 2.264 547 L HA 0.488 4.828 4.340 0.000 0.000 0.289 547 L C -1.146 175.826 176.870 0.170 0.000 1.044 547 L CA -0.118 54.791 54.840 0.115 0.000 0.807 547 L CB 0.387 42.514 42.059 0.113 0.000 1.192 547 L HN 0.585 nan 8.230 nan 0.000 0.425 548 I N 3.823 124.499 120.570 0.177 0.000 2.689 548 I HA 0.339 4.509 4.170 0.000 0.000 0.299 548 I C -1.008 175.317 176.117 0.347 0.000 1.059 548 I CA -0.755 60.681 61.300 0.226 0.000 1.055 548 I CB 2.145 40.243 38.000 0.163 0.000 1.243 548 I HN 0.498 nan 8.210 nan 0.000 0.425 549 D N 5.237 125.883 120.400 0.411 0.000 2.373 549 D HA 0.299 4.939 4.640 0.000 0.000 0.227 549 D C -0.906 175.640 176.300 0.409 0.000 1.091 549 D CA -0.254 54.088 54.000 0.570 0.000 0.840 549 D CB 1.418 42.527 40.800 0.515 0.000 1.060 549 D HN 0.068 nan 8.370 nan 0.000 0.502 550 V N 5.150 125.270 119.914 0.343 0.000 2.432 550 V HA 0.149 4.269 4.120 0.000 0.000 0.271 550 V C 0.695 176.885 176.094 0.161 0.000 1.046 550 V CA -0.779 61.651 62.300 0.216 0.000 0.945 550 V CB 1.014 32.915 31.823 0.131 0.000 0.992 550 V HN 0.489 nan 8.190 nan 0.000 0.471 551 Q N 5.362 125.212 119.800 0.082 0.000 2.454 551 Q HA 0.253 4.593 4.340 0.000 0.000 0.247 551 Q C -2.250 173.595 176.000 -0.260 0.000 1.028 551 Q CA -2.006 53.679 55.803 -0.197 0.000 0.910 551 Q CB -0.105 28.616 28.738 -0.029 0.000 1.276 551 Q HN 0.429 nan 8.270 nan 0.000 0.489 552 P HA -0.089 nan 4.420 nan 0.000 0.266 552 P C 0.072 177.322 177.300 -0.084 0.000 1.186 552 P CA 0.535 63.517 63.100 -0.196 0.000 0.767 552 P CB 0.408 32.015 31.700 -0.155 0.000 0.820 553 A N 3.530 126.325 122.820 -0.041 0.000 1.958 553 A HA -0.158 4.162 4.320 0.000 0.000 0.221 553 A C 0.983 178.558 177.584 -0.014 0.000 1.178 553 A CA 1.787 53.813 52.037 -0.018 0.000 0.642 553 A CB -0.611 18.384 19.000 -0.009 0.000 0.816 553 A HN 0.491 nan 8.150 nan 0.000 0.453 554 M N -0.499 119.090 119.600 -0.018 0.000 2.464 554 M HA 0.343 4.823 4.480 0.000 0.000 0.308 554 M C -0.871 175.417 176.300 -0.020 0.000 1.127 554 M CA -0.076 55.216 55.300 -0.013 0.000 0.913 554 M CB 1.806 34.402 32.600 -0.008 0.000 1.689 554 M HN 0.250 nan 8.290 nan 0.000 0.445 555 T N -1.121 113.423 114.554 -0.017 0.000 3.226 555 T HA 0.409 4.759 4.350 0.000 0.000 0.378 555 T C -2.159 172.533 174.700 -0.014 0.000 1.380 555 T CA -1.301 60.787 62.100 -0.019 0.000 1.396 555 T CB 0.654 69.505 68.868 -0.028 0.000 1.044 555 T HN 0.375 nan 8.240 nan 0.000 0.586 556 P HA -0.025 nan 4.420 nan 0.000 0.222 556 P C 0.439 177.733 177.300 -0.009 0.000 1.147 556 P CA 0.917 64.013 63.100 -0.008 0.000 0.790 556 P CB 0.271 31.968 31.700 -0.004 0.000 0.780 557 D N -0.647 119.747 120.400 -0.010 0.000 2.234 557 D HA -0.043 4.597 4.640 0.000 0.000 0.205 557 D C 0.457 176.745 176.300 -0.020 0.000 0.962 557 D CA 1.280 55.272 54.000 -0.012 0.000 0.855 557 D CB -0.268 40.526 40.800 -0.010 0.000 0.951 557 D HN 0.177 nan 8.370 nan 0.000 0.500 558 D N -1.319 119.065 120.400 -0.025 0.000 2.586 558 D HA 0.154 4.794 4.640 0.000 0.000 0.254 558 D C -2.110 174.172 176.300 -0.030 0.000 1.248 558 D CA -1.887 52.092 54.000 -0.035 0.000 0.843 558 D CB 1.278 42.045 40.800 -0.055 0.000 1.332 558 D HN -0.236 nan 8.370 nan 0.000 0.523 559 P HA -0.213 nan 4.420 nan 0.000 0.216 559 P C 1.236 178.535 177.300 -0.001 0.000 1.154 559 P CA 1.604 64.698 63.100 -0.010 0.000 0.865 559 P CB 0.072 31.767 31.700 -0.008 0.000 0.789 560 K N -1.152 119.247 120.400 -0.001 0.000 2.442 560 K HA -0.073 4.247 4.320 0.000 0.000 0.198 560 K C 1.316 177.951 176.600 0.059 0.000 1.044 560 K CA 1.240 57.541 56.287 0.022 0.000 0.948 560 K CB -0.549 31.959 32.500 0.013 0.000 0.762 560 K HN 0.085 nan 8.250 nan 0.000 0.472 561 M N 1.446 121.055 119.600 0.015 0.000 2.495 561 M HA 0.136 4.616 4.480 0.000 0.000 0.237 561 M C 0.579 176.919 176.300 0.066 0.000 1.131 561 M CA 0.075 55.385 55.300 0.016 0.000 1.032 561 M CB 0.089 32.622 32.600 -0.112 0.000 1.513 561 M HN 0.203 nan 8.290 nan 0.000 0.488 562 G N 0.342 109.169 108.800 0.045 0.000 2.346 562 G HA2 0.352 4.312 3.960 0.000 0.000 0.275 562 G HA3 0.352 4.312 3.960 0.000 0.000 0.275 562 G C 1.079 176.008 174.900 0.048 0.000 1.190 562 G CA 0.385 45.501 45.100 0.027 0.000 1.015 562 G HN 0.690 nan 8.290 nan 0.000 0.441 563 G N 1.635 110.458 108.800 0.038 0.000 2.148 563 G HA2 -0.311 3.649 3.960 0.000 0.000 0.254 563 G HA3 -0.311 3.649 3.960 0.000 0.000 0.254 563 G C 0.389 175.333 174.900 0.074 0.000 0.981 563 G CA 0.535 45.657 45.100 0.038 0.000 0.670 563 G HN 1.060 nan 8.290 nan 0.000 0.528 564 Y N 1.467 121.758 120.300 -0.015 0.000 2.620 564 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 564 Y C 0.753 176.668 175.900 0.024 0.000 1.186 564 Y CA 0.478 58.576 58.100 -0.003 0.000 1.467 564 Y CB 0.531 38.983 38.460 -0.012 0.000 1.262 564 Y HN 0.325 nan 8.280 nan 0.000 0.550 565 E N 6.816 126.965 120.200 -0.084 0.000 2.042 565 E HA 0.163 4.513 4.350 0.000 0.000 0.260 565 E C -1.370 175.276 176.600 0.078 0.000 0.975 565 E CA -0.635 55.782 56.400 0.029 0.000 0.799 565 E CB 0.593 30.276 29.700 -0.029 0.000 1.131 565 E HN 0.409 nan 8.360 nan 0.000 0.423 566 L N 5.276 126.688 121.223 0.314 0.000 2.283 566 L HA 0.338 4.678 4.340 0.000 0.000 0.287 566 L C -2.569 174.442 176.870 0.235 0.000 1.073 566 L CA -2.208 52.834 54.840 0.338 0.000 0.822 566 L CB 0.375 42.636 42.059 0.336 0.000 1.186 566 L HN 0.165 nan 8.230 nan 0.000 0.436 567 P HA 0.073 nan 4.420 nan 0.000 0.276 567 P C 0.605 178.085 177.300 0.301 0.000 1.253 567 P CA -0.177 63.053 63.100 0.218 0.000 0.766 567 P CB 0.981 32.798 31.700 0.196 0.000 0.845 568 V N 0.761 120.797 119.914 0.203 0.000 3.307 568 V HA 0.240 4.360 4.120 0.000 0.000 0.253 568 V C 0.576 176.696 176.094 0.043 0.000 1.149 568 V CA 0.614 62.971 62.300 0.096 0.000 1.112 568 V CB -0.091 31.612 31.823 -0.200 0.000 0.777 568 V HN 0.544 nan 8.190 nan 0.000 0.464 569 S N 1.068 116.838 115.700 0.117 0.000 2.605 569 S HA 0.745 5.215 4.470 0.000 0.000 0.279 569 S C -0.992 173.718 174.600 0.184 0.000 1.166 569 S CA -0.674 57.595 58.200 0.114 0.000 0.975 569 S CB 1.154 64.397 63.200 0.071 0.000 1.111 569 S HN 0.598 nan 8.310 nan 0.000 0.465 570 M N 2.829 122.583 119.600 0.256 0.000 2.470 570 M HA 0.785 5.265 4.480 0.000 0.000 0.285 570 M C -1.665 174.922 176.300 0.478 0.000 1.213 570 M CA -0.745 54.762 55.300 0.345 0.000 0.901 570 M CB 2.240 35.093 32.600 0.421 0.000 1.718 570 M HN 0.500 nan 8.290 nan 0.000 0.469 571 D N 0.675 121.352 120.400 0.462 0.000 2.692 571 D HA 0.653 5.293 4.640 0.000 0.000 0.290 571 D C -2.032 174.506 176.300 0.398 0.000 1.281 571 D CA -0.386 53.967 54.000 0.588 0.000 0.804 571 D CB 3.025 44.205 40.800 0.635 0.000 1.331 571 D HN 0.846 nan 8.370 nan 0.000 0.432 572 I N 0.935 121.730 120.570 0.376 0.000 2.689 572 I HA 0.650 4.820 4.170 0.000 0.000 0.299 572 I C -1.597 174.589 176.117 0.115 0.000 1.059 572 I CA -0.912 60.455 61.300 0.112 0.000 1.055 572 I CB 1.712 39.652 38.000 -0.099 0.000 1.243 572 I HN 0.300 nan 8.210 nan 0.000 0.425 573 F N 6.543 126.361 119.950 -0.220 0.000 2.539 573 F HA 0.512 5.039 4.527 0.000 0.000 0.318 573 F C -0.483 175.274 175.800 -0.071 0.000 1.135 573 F CA -0.743 57.073 58.000 -0.307 0.000 0.915 573 F CB 1.269 39.660 39.000 -1.015 0.000 1.176 573 F HN 0.405 nan 8.300 nan 0.000 0.440 574 R N 3.941 124.258 120.500 -0.306 0.000 2.220 574 R HA 0.311 4.651 4.340 0.000 0.000 0.340 574 R C 1.281 177.602 176.300 0.035 0.000 1.076 574 R CA 0.526 56.582 56.100 -0.074 0.000 0.920 574 R CB 0.733 31.058 30.300 0.043 0.000 1.062 574 R HN 0.977 nan 8.270 nan 0.000 0.469 575 G N 4.944 113.890 108.800 0.245 0.000 2.507 575 G HA2 -0.374 3.586 3.960 0.000 0.000 0.221 575 G HA3 -0.374 3.586 3.960 0.000 0.000 0.221 575 G C 1.251 176.368 174.900 0.361 0.000 1.119 575 G CA 0.986 46.403 45.100 0.527 0.000 0.751 575 G HN 0.789 nan 8.290 nan 0.000 0.574 576 R N -0.572 119.959 120.500 0.051 0.000 2.241 576 R HA -0.069 4.271 4.340 0.000 0.000 0.224 576 R C 1.104 177.324 176.300 -0.134 0.000 1.101 576 R CA 1.211 57.268 56.100 -0.073 0.000 0.995 576 R CB -0.590 29.600 30.300 -0.183 0.000 0.870 576 R HN 0.497 nan 8.270 nan 0.000 0.463 577 Y N 0.503 120.948 120.300 0.240 0.000 2.583 577 Y HA 0.298 4.848 4.550 0.000 0.000 0.294 577 Y C 2.156 178.197 175.900 0.235 0.000 1.170 577 Y CA -0.659 57.565 58.100 0.206 0.000 1.265 577 Y CB 0.124 38.752 38.460 0.279 0.000 1.119 577 Y HN -0.025 nan 8.280 nan 0.000 0.522 578 R N 1.110 121.866 120.500 0.426 0.000 2.105 578 R HA -0.181 4.159 4.340 0.000 0.000 0.239 578 R C 1.386 177.698 176.300 0.020 0.000 1.135 578 R CA 1.738 58.013 56.100 0.292 0.000 0.967 578 R CB 0.167 30.508 30.300 0.067 0.000 0.861 578 R HN 0.329 nan 8.270 nan 0.000 0.442 579 K N -1.568 118.833 120.400 0.001 0.000 2.313 579 K HA 0.051 4.371 4.320 0.000 0.000 0.197 579 K C -0.254 176.300 176.600 -0.076 0.000 1.061 579 K CA 0.285 56.538 56.287 -0.058 0.000 0.980 579 K CB 0.538 33.015 32.500 -0.038 0.000 0.888 579 K HN -0.007 nan 8.250 nan 0.000 0.502 580 D N -1.315 119.064 120.400 -0.034 0.000 2.977 580 D HA 0.123 4.763 4.640 0.000 0.000 0.220 580 D C -0.124 176.233 176.300 0.094 0.000 1.267 580 D CA -0.541 53.441 54.000 -0.030 0.000 0.884 580 D CB 0.940 41.767 40.800 0.046 0.000 1.667 580 D HN -0.229 nan 8.370 nan 0.000 0.536 581 F N 1.884 121.951 119.950 0.196 0.000 2.234 581 F HA 0.090 4.617 4.527 0.000 0.000 0.299 581 F C 2.387 178.169 175.800 -0.029 0.000 1.087 581 F CA 1.118 59.148 58.000 0.050 0.000 1.340 581 F CB -0.390 38.530 39.000 -0.133 0.000 1.031 581 F HN 0.496 nan 8.300 nan 0.000 0.500 582 A N -1.334 121.613 122.820 0.211 0.000 2.178 582 A HA 0.079 4.399 4.320 0.000 0.000 0.211 582 A C 0.839 178.517 177.584 0.157 0.000 1.157 582 A CA 0.459 52.564 52.037 0.115 0.000 0.780 582 A CB -0.084 18.960 19.000 0.073 0.000 0.828 582 A HN -0.051 nan 8.150 nan 0.000 0.476 583 K N 1.395 121.919 120.400 0.206 0.000 2.626 583 K HA 0.310 4.630 4.320 0.000 0.000 0.223 583 K C -3.237 173.495 176.600 0.219 0.000 0.992 583 K CA -1.888 54.508 56.287 0.181 0.000 1.024 583 K CB 1.668 34.231 32.500 0.106 0.000 1.225 583 K HN 0.144 nan 8.250 nan 0.000 0.498 584 P HA 0.177 nan 4.420 nan 0.000 0.271 584 P C -0.586 176.803 177.300 0.148 0.000 1.216 584 P CA 0.029 63.250 63.100 0.202 0.000 0.776 584 P CB 1.228 33.043 31.700 0.192 0.000 0.881 585 E N 0.399 120.594 120.200 -0.007 0.000 2.340 585 E HA 0.557 4.907 4.350 0.000 0.000 0.273 585 E C -0.669 175.606 176.600 -0.541 0.000 0.891 585 E CA -1.144 55.071 56.400 -0.308 0.000 0.757 585 E CB 2.432 32.031 29.700 -0.168 0.000 1.231 585 E HN 0.478 nan 8.360 nan 0.000 0.439 586 A N 2.613 124.824 122.820 -1.015 0.000 2.425 586 A HA 0.323 4.643 4.320 0.000 0.000 0.242 586 A C -0.232 177.216 177.584 -0.227 0.000 1.077 586 A CA -0.031 51.581 52.037 -0.708 0.000 0.781 586 A CB 0.163 18.767 19.000 -0.660 0.000 1.020 586 A HN 0.518 nan 8.150 nan 0.000 0.494 587 L N 0.672 121.867 121.223 -0.046 0.000 2.357 587 L HA 0.341 4.681 4.340 0.000 0.000 0.273 587 L C 0.391 177.276 176.870 0.025 0.000 1.080 587 L CA -0.689 54.177 54.840 0.043 0.000 0.803 587 L CB 1.078 43.238 42.059 0.169 0.000 1.174 587 L HN 0.787 nan 8.230 nan 0.000 0.443 588 Q N 3.766 123.583 119.800 0.030 0.000 2.307 588 Q HA 0.258 4.598 4.340 0.000 0.000 0.259 588 Q C -2.388 173.642 176.000 0.051 0.000 0.998 588 Q CA -1.582 54.233 55.803 0.021 0.000 0.923 588 Q CB 0.955 29.698 28.738 0.009 0.000 1.196 588 Q HN 0.149 nan 8.270 nan 0.000 0.416 589 P HA 0.019 nan 4.420 nan 0.000 0.268 589 P C -0.733 176.601 177.300 0.056 0.000 1.204 589 P CA 0.316 63.451 63.100 0.058 0.000 0.768 589 P CB 0.590 32.316 31.700 0.043 0.000 0.842 590 D N -1.083 119.360 120.400 0.072 0.000 2.978 590 D HA -0.189 4.451 4.640 0.000 0.000 0.205 590 D C 0.160 176.495 176.300 0.058 0.000 1.093 590 D CA 1.600 55.639 54.000 0.064 0.000 1.006 590 D CB -1.481 39.346 40.800 0.045 0.000 1.116 590 D HN 0.535 nan 8.370 nan 0.000 0.419 591 A N 0.399 123.256 122.820 0.061 0.000 2.309 591 A HA 0.530 4.850 4.320 0.000 0.000 0.298 591 A C 0.556 178.177 177.584 0.062 0.000 1.165 591 A CA -0.006 52.058 52.037 0.044 0.000 0.821 591 A CB 0.810 19.827 19.000 0.029 0.000 1.102 591 A HN -0.007 nan 8.150 nan 0.000 0.500 592 T N 3.607 118.183 114.554 0.037 0.000 2.752 592 T HA 0.447 4.797 4.350 0.000 0.000 0.295 592 T C -0.092 174.638 174.700 0.051 0.000 0.923 592 T CA 0.547 62.678 62.100 0.052 0.000 1.112 592 T CB -0.485 68.374 68.868 -0.016 0.000 0.884 592 T HN 0.418 nan 8.240 nan 0.000 0.525 593 L N 2.582 123.831 121.223 0.042 0.000 2.341 593 L HA 0.458 4.798 4.340 0.000 0.000 0.267 593 L C 0.323 177.046 176.870 -0.244 0.000 1.009 593 L CA -1.105 53.671 54.840 -0.108 0.000 0.819 593 L CB 1.895 43.818 42.059 -0.225 0.000 1.323 593 L HN 0.629 nan 8.230 nan 0.000 0.425 594 H N 1.530 120.304 119.070 -0.494 0.000 2.652 594 H HA 0.342 4.898 4.556 0.000 0.000 0.298 594 H C -1.578 173.322 175.328 -0.712 0.000 1.076 594 H CA -0.484 55.159 56.048 -0.674 0.000 1.360 594 H CB 0.668 30.113 29.762 -0.529 0.000 1.421 594 H HN 0.398 nan 8.280 nan 0.000 0.464 595 Y N 3.151 123.136 120.300 -0.525 0.000 2.377 595 Y HA 0.204 4.754 4.550 0.000 0.000 0.339 595 Y C -0.321 175.256 175.900 -0.538 0.000 1.011 595 Y CA -0.794 57.007 58.100 -0.499 0.000 1.093 595 Y CB 1.497 39.736 38.460 -0.369 0.000 1.201 595 Y HN 0.685 nan 8.280 nan 0.000 0.455 596 H N 4.472 123.278 119.070 -0.439 0.000 3.172 596 H HA 0.524 5.080 4.556 0.000 0.000 0.322 596 H C -1.725 173.507 175.328 -0.161 0.000 1.003 596 H CA -1.047 54.761 56.048 -0.399 0.000 1.466 596 H CB 0.439 29.918 29.762 -0.473 0.000 1.673 596 H HN 0.507 nan 8.280 nan 0.000 0.512 597 F N 1.012 120.691 119.950 -0.452 0.000 2.631 597 F HA 0.545 5.072 4.527 0.000 0.000 0.308 597 F C -0.538 175.196 175.800 -0.109 0.000 1.097 597 F CA -1.200 56.642 58.000 -0.262 0.000 0.952 597 F CB 0.981 39.692 39.000 -0.482 0.000 1.307 597 F HN 0.354 nan 8.300 nan 0.000 0.450 598 T N 0.972 115.691 114.554 0.274 0.000 2.897 598 T HA 0.661 5.011 4.350 0.000 0.000 0.294 598 T C -0.353 174.574 174.700 0.380 0.000 1.004 598 T CA -0.557 61.678 62.100 0.225 0.000 1.106 598 T CB 1.008 70.026 68.868 0.251 0.000 0.949 598 T HN 0.700 nan 8.240 nan 0.000 0.520 599 L N 2.240 123.582 121.223 0.199 0.000 2.331 599 L HA 0.547 4.887 4.340 0.000 0.000 0.268 599 L C -2.199 174.776 176.870 0.175 0.000 1.015 599 L CA -3.135 51.850 54.840 0.243 0.000 0.807 599 L CB 1.217 43.359 42.059 0.138 0.000 1.293 599 L HN 0.416 nan 8.230 nan 0.000 0.451 600 P HA 0.005 nan 4.420 nan 0.000 0.266 600 P C -0.735 176.578 177.300 0.022 0.000 1.193 600 P CA -0.090 63.064 63.100 0.089 0.000 0.770 600 P CB 0.434 32.182 31.700 0.080 0.000 0.836 601 A N 2.363 125.177 122.820 -0.011 0.000 2.448 601 A HA 0.459 4.779 4.320 0.000 0.000 0.239 601 A C 0.118 177.670 177.584 -0.054 0.000 1.080 601 A CA 0.074 52.116 52.037 0.007 0.000 0.779 601 A CB -0.181 18.868 19.000 0.083 0.000 1.026 601 A HN 0.480 nan 8.150 nan 0.000 0.499 602 V N -1.066 118.847 119.914 -0.002 0.000 2.925 602 V HA 0.815 4.935 4.120 0.000 0.000 0.311 602 V C -0.782 175.321 176.094 0.015 0.000 1.104 602 V CA -0.771 61.496 62.300 -0.054 0.000 0.954 602 V CB 2.099 33.910 31.823 -0.019 0.000 1.022 602 V HN 0.909 nan 8.190 nan 0.000 0.427 603 N N 1.164 119.832 118.700 -0.053 0.000 2.716 603 N HA 0.447 5.187 4.740 0.000 0.000 0.245 603 N C -1.178 174.306 175.510 -0.042 0.000 1.495 603 N CA -0.185 52.855 53.050 -0.016 0.000 0.759 603 N CB 0.467 38.910 38.487 -0.074 0.000 1.261 603 N HN 1.115 nan 8.380 nan 0.000 0.515 604 H N -0.296 118.672 119.070 -0.170 0.000 2.907 604 H HA 0.770 5.326 4.556 0.000 0.000 0.361 604 H C -1.378 173.789 175.328 -0.267 0.000 1.194 604 H CA -0.707 55.173 56.048 -0.279 0.000 1.152 604 H CB 1.705 31.218 29.762 -0.414 0.000 1.867 604 H HN -0.046 nan 8.280 nan 0.000 0.561 605 V N 3.158 122.525 119.914 -0.911 0.000 2.569 605 V HA 0.257 4.377 4.120 0.000 0.000 0.301 605 V C -1.033 174.585 176.094 -0.793 0.000 1.044 605 V CA -0.659 61.300 62.300 -0.569 0.000 0.874 605 V CB 1.152 32.755 31.823 -0.367 0.000 1.002 605 V HN 0.572 nan 8.190 nan 0.000 0.424 606 F N 3.739 123.560 119.950 -0.216 0.000 2.413 606 F HA 0.687 5.214 4.527 0.000 0.000 0.359 606 F C 0.918 176.586 175.800 -0.219 0.000 1.122 606 F CA -0.078 57.828 58.000 -0.156 0.000 1.160 606 F CB 1.037 40.076 39.000 0.066 0.000 1.146 606 F HN 0.599 nan 8.300 nan 0.000 0.514 607 A N 4.243 126.857 122.820 -0.344 0.000 2.240 607 A HA 0.466 4.786 4.320 0.000 0.000 0.292 607 A C 0.157 177.784 177.584 0.073 0.000 1.121 607 A CA -0.877 51.054 52.037 -0.176 0.000 0.851 607 A CB 0.452 19.303 19.000 -0.248 0.000 1.167 607 A HN 0.690 nan 8.150 nan 0.000 0.503 608 K N -0.515 119.952 120.400 0.113 0.000 2.448 608 K HA 0.363 4.683 4.320 0.000 0.000 0.278 608 K C 1.028 177.767 176.600 0.232 0.000 1.009 608 K CA 1.066 57.442 56.287 0.149 0.000 0.995 608 K CB 0.264 32.819 32.500 0.092 0.000 0.917 608 K HN 1.319 nan 8.250 nan 0.000 0.481 609 G N 1.720 110.630 108.800 0.184 0.000 2.258 609 G HA2 -0.230 3.730 3.960 0.000 0.000 0.233 609 G HA3 -0.230 3.730 3.960 0.000 0.000 0.233 609 G C 0.216 175.186 174.900 0.116 0.000 1.006 609 G CA -0.289 44.889 45.100 0.131 0.000 0.620 609 G HN 0.741 nan 8.290 nan 0.000 0.511 610 H N 0.395 119.528 119.070 0.105 0.000 2.509 610 H HA 0.669 5.225 4.556 0.000 0.000 0.360 610 H C 0.595 175.999 175.328 0.127 0.000 1.398 610 H CA 0.050 56.184 56.048 0.143 0.000 1.429 610 H CB 0.711 30.605 29.762 0.219 0.000 1.611 610 H HN 0.263 nan 8.280 nan 0.000 0.606 611 R N 0.131 120.791 120.500 0.266 0.000 2.808 611 R HA 0.430 4.770 4.340 0.000 0.000 0.272 611 R C -0.859 175.506 176.300 0.108 0.000 0.995 611 R CA -0.812 55.370 56.100 0.137 0.000 0.917 611 R CB 2.008 32.357 30.300 0.081 0.000 1.217 611 R HN 0.401 nan 8.270 nan 0.000 0.471 612 I N 2.386 122.908 120.570 -0.079 0.000 2.392 612 I HA 0.411 4.581 4.170 0.000 0.000 0.295 612 I C -0.059 176.000 176.117 -0.097 0.000 0.985 612 I CA -0.384 60.755 61.300 -0.269 0.000 1.221 612 I CB 1.617 39.281 38.000 -0.561 0.000 1.366 612 I HN 0.412 nan 8.210 nan 0.000 0.467 613 M N 6.662 126.249 119.600 -0.022 0.000 2.518 613 M HA 0.696 5.176 4.480 0.000 0.000 0.300 613 M C -2.022 174.303 176.300 0.041 0.000 1.175 613 M CA -0.582 54.736 55.300 0.030 0.000 0.890 613 M CB 2.333 34.973 32.600 0.067 0.000 1.710 613 M HN 0.319 nan 8.290 nan 0.000 0.453 614 V N 3.547 123.506 119.914 0.074 0.000 2.638 614 V HA 0.497 4.617 4.120 0.000 0.000 0.306 614 V C -1.062 175.125 176.094 0.156 0.000 1.052 614 V CA -0.551 61.799 62.300 0.083 0.000 0.885 614 V CB 2.144 33.981 31.823 0.023 0.000 0.999 614 V HN 0.882 nan 8.190 nan 0.000 0.424 615 Q N 4.099 123.966 119.800 0.112 0.000 2.356 615 Q HA 0.706 5.046 4.340 0.000 0.000 0.270 615 Q C -1.472 174.566 176.000 0.064 0.000 1.058 615 Q CA -0.554 55.304 55.803 0.092 0.000 0.802 615 Q CB 3.186 31.953 28.738 0.048 0.000 1.303 615 Q HN 0.636 nan 8.270 nan 0.000 0.444 616 I N 2.573 123.178 120.570 0.058 0.000 2.545 616 I HA 0.366 4.536 4.170 0.000 0.000 0.292 616 I C -0.382 175.661 176.117 -0.123 0.000 1.040 616 I CA -0.536 60.792 61.300 0.047 0.000 1.068 616 I CB 1.955 40.064 38.000 0.182 0.000 1.251 616 I HN 0.630 nan 8.210 nan 0.000 0.424 617 Q N 2.868 122.619 119.800 -0.082 0.000 2.693 617 Q HA 0.571 4.911 4.340 0.000 0.000 0.306 617 Q C -1.211 174.817 176.000 0.046 0.000 0.969 617 Q CA -0.880 54.836 55.803 -0.145 0.000 0.757 617 Q CB 2.033 30.678 28.738 -0.156 0.000 1.494 617 Q HN 0.407 nan 8.270 nan 0.000 0.459 618 S N -0.021 115.720 115.700 0.068 0.000 2.819 618 S HA 0.285 4.755 4.470 0.000 0.000 0.249 618 S C -0.753 173.833 174.600 -0.023 0.000 1.030 618 S CA 0.294 58.468 58.200 -0.044 0.000 1.052 618 S CB 0.617 63.743 63.200 -0.124 0.000 1.017 618 S HN 0.641 nan 8.310 nan 0.000 0.576 619 S N -0.110 115.625 115.700 0.059 0.000 2.570 619 S HA 0.759 5.229 4.470 0.000 0.000 0.270 619 S C -2.172 172.629 174.600 0.335 0.000 1.149 619 S CA -0.630 57.677 58.200 0.179 0.000 0.837 619 S CB 1.635 64.935 63.200 0.168 0.000 1.124 619 S HN 0.224 nan 8.310 nan 0.000 0.465 620 W N 2.333 123.782 121.300 0.249 0.000 1.824 620 W HA 0.495 5.155 4.660 0.000 0.000 0.304 620 W C -2.124 174.565 176.519 0.282 0.000 1.021 620 W CA -1.658 55.860 57.345 0.289 0.000 1.088 620 W CB 0.797 30.434 29.460 0.296 0.000 1.089 620 W HN 0.685 nan 8.180 nan 0.000 0.296 621 F N 5.376 125.512 119.950 0.309 0.000 2.458 621 F HA 0.644 5.171 4.527 0.000 0.000 0.330 621 F C -1.244 174.698 175.800 0.236 0.000 1.082 621 F CA -2.543 55.535 58.000 0.130 0.000 0.995 621 F CB 1.885 40.920 39.000 0.059 0.000 1.170 621 F HN -0.080 nan 8.300 nan 0.000 0.478 622 P HA -0.008 nan 4.420 nan 0.000 0.261 622 P C 1.529 178.240 177.300 -0.982 0.000 1.268 622 P CA 0.318 62.532 63.100 -1.477 0.000 0.833 622 P CB 0.300 31.224 31.700 -1.292 0.000 1.231 623 L N -0.013 120.609 121.223 -1.001 0.000 1.997 623 L HA -0.110 4.230 4.340 0.000 0.000 0.216 623 L C 0.352 176.595 176.870 -1.045 0.000 1.074 623 L CA 1.851 55.971 54.840 -1.201 0.000 0.763 623 L CB -1.391 39.435 42.059 -2.056 0.000 0.890 623 L HN -0.100 nan 8.230 nan 0.000 0.434 624 Y N 0.590 120.622 120.300 -0.447 0.000 2.341 624 Y HA 0.306 4.856 4.550 0.000 0.000 0.337 624 Y C 0.258 176.150 175.900 -0.013 0.000 1.014 624 Y CA -1.925 56.054 58.100 -0.202 0.000 1.111 624 Y CB 0.444 38.901 38.460 -0.005 0.000 1.194 624 Y HN 0.243 nan 8.280 nan 0.000 0.462 625 D N 2.152 122.681 120.400 0.214 0.000 2.390 625 D HA -0.005 4.635 4.640 0.000 0.000 0.236 625 D C -0.418 176.118 176.300 0.393 0.000 1.189 625 D CA -0.231 53.985 54.000 0.359 0.000 0.887 625 D CB 0.673 41.732 40.800 0.432 0.000 1.198 625 D HN 0.483 nan 8.370 nan 0.000 0.444 626 R N 0.784 121.528 120.500 0.406 0.000 2.390 626 R HA 0.183 4.523 4.340 0.000 0.000 0.291 626 R C 0.487 176.936 176.300 0.249 0.000 1.070 626 R CA -0.693 55.574 56.100 0.278 0.000 1.014 626 R CB 0.388 30.779 30.300 0.152 0.000 1.007 626 R HN 0.439 nan 8.270 nan 0.000 0.466 627 N N 3.615 122.395 118.700 0.132 0.000 2.470 627 N HA 0.062 4.802 4.740 0.000 0.000 0.268 627 N C -1.853 173.671 175.510 0.023 0.000 1.136 627 N CA -1.840 51.233 53.050 0.037 0.000 0.961 627 N CB 1.355 39.821 38.487 -0.036 0.000 1.067 627 N HN 0.274 nan 8.380 nan 0.000 0.468 628 P HA -0.085 nan 4.420 nan 0.000 0.222 628 P C -0.343 176.887 177.300 -0.116 0.000 1.147 628 P CA 0.990 63.910 63.100 -0.301 0.000 0.790 628 P CB 0.197 31.517 31.700 -0.634 0.000 0.780 629 Q N -2.796 116.955 119.800 -0.080 0.000 2.493 629 Q HA -0.203 4.137 4.340 0.000 0.000 0.260 629 Q C 0.073 176.061 176.000 -0.020 0.000 0.905 629 Q CA 0.805 56.581 55.803 -0.044 0.000 1.140 629 Q CB -1.742 26.977 28.738 -0.032 0.000 1.435 629 Q HN 0.323 nan 8.270 nan 0.000 0.581 630 K N 0.226 120.601 120.400 -0.041 0.000 2.513 630 K HA 0.414 4.734 4.320 0.000 0.000 0.251 630 K C -1.309 175.295 176.600 0.007 0.000 0.939 630 K CA -0.767 55.518 56.287 -0.003 0.000 0.793 630 K CB 1.017 33.492 32.500 -0.042 0.000 1.241 630 K HN 0.003 nan 8.250 nan 0.000 0.431 631 F N 5.506 125.423 119.950 -0.055 0.000 2.506 631 F HA 0.230 4.757 4.527 0.000 0.000 0.371 631 F C -0.369 175.397 175.800 -0.057 0.000 1.078 631 F CA 0.180 58.146 58.000 -0.057 0.000 1.195 631 F CB 0.581 39.558 39.000 -0.037 0.000 1.099 631 F HN 0.228 nan 8.300 nan 0.000 0.548 632 V N 4.888 124.423 119.914 -0.633 0.000 2.914 632 V HA 0.524 4.644 4.120 0.000 0.000 0.314 632 V C -2.229 173.458 176.094 -0.679 0.000 1.084 632 V CA -1.935 60.091 62.300 -0.456 0.000 0.963 632 V CB 1.505 33.167 31.823 -0.269 0.000 1.025 632 V HN 0.526 nan 8.190 nan 0.000 0.432 633 P HA -0.105 nan 4.420 nan 0.000 0.214 633 P C 0.173 177.321 177.300 -0.253 0.000 1.163 633 P CA 1.563 64.496 63.100 -0.278 0.000 0.889 633 P CB 0.101 31.738 31.700 -0.106 0.000 0.790 634 N N -1.222 117.365 118.700 -0.188 0.000 2.504 634 N HA 0.174 4.914 4.740 0.000 0.000 0.280 634 N C 0.610 176.051 175.510 -0.115 0.000 1.052 634 N CA -0.379 52.590 53.050 -0.135 0.000 0.887 634 N CB 0.673 39.106 38.487 -0.089 0.000 1.323 634 N HN -0.184 nan 8.380 nan 0.000 0.509 635 I N 2.296 122.759 120.570 -0.178 0.000 2.530 635 I HA -0.234 3.936 4.170 0.000 0.000 0.257 635 I C 1.339 177.457 176.117 0.001 0.000 1.179 635 I CA 1.102 62.319 61.300 -0.138 0.000 1.440 635 I CB -0.151 37.753 38.000 -0.160 0.000 1.087 635 I HN 0.491 nan 8.210 nan 0.000 0.440 636 F N 0.882 120.889 119.950 0.095 0.000 2.216 636 F HA -0.228 4.299 4.527 0.000 0.000 0.300 636 F C 1.484 177.429 175.800 0.242 0.000 1.085 636 F CA 0.830 58.950 58.000 0.199 0.000 1.326 636 F CB -0.085 39.013 39.000 0.163 0.000 1.027 636 F HN 0.123 nan 8.300 nan 0.000 0.497 637 D N 0.411 121.009 120.400 0.329 0.000 2.491 637 D HA 0.198 4.838 4.640 0.000 0.000 0.228 637 D C 0.414 176.811 176.300 0.161 0.000 1.183 637 D CA 0.108 54.264 54.000 0.260 0.000 0.827 637 D CB -0.182 40.747 40.800 0.215 0.000 0.989 637 D HN 0.014 nan 8.370 nan 0.000 0.494 638 A N 0.883 123.793 122.820 0.150 0.000 2.477 638 A HA 0.194 4.514 4.320 0.000 0.000 0.246 638 A C 0.638 178.328 177.584 0.178 0.000 1.078 638 A CA 0.070 52.140 52.037 0.056 0.000 0.770 638 A CB 0.567 19.505 19.000 -0.104 0.000 1.011 638 A HN -0.014 nan 8.150 nan 0.000 0.494 639 K N 2.782 123.249 120.400 0.113 0.000 2.095 639 K HA 0.352 4.672 4.320 0.000 0.000 0.252 639 K C -1.914 174.843 176.600 0.262 0.000 0.977 639 K CA -1.828 54.559 56.287 0.166 0.000 0.900 639 K CB 0.783 33.339 32.500 0.093 0.000 1.060 639 K HN 0.296 nan 8.250 nan 0.000 0.449 640 P HA -0.255 nan 4.420 nan 0.000 0.216 640 P C 0.769 178.214 177.300 0.242 0.000 1.154 640 P CA 1.448 64.691 63.100 0.239 0.000 0.865 640 P CB 0.097 31.863 31.700 0.111 0.000 0.789 641 A N -0.553 122.354 122.820 0.145 0.000 2.067 641 A HA -0.170 4.150 4.320 0.000 0.000 0.219 641 A C 1.772 179.402 177.584 0.077 0.000 1.158 641 A CA 1.636 53.732 52.037 0.098 0.000 0.661 641 A CB -1.087 17.951 19.000 0.062 0.000 0.801 641 A HN 0.100 nan 8.150 nan 0.000 0.452 642 D N -1.334 119.091 120.400 0.042 0.000 2.277 642 D HA -0.009 4.631 4.640 0.000 0.000 0.208 642 D C -0.317 175.881 176.300 -0.171 0.000 0.962 642 D CA 0.554 54.492 54.000 -0.103 0.000 0.865 642 D CB -0.252 40.406 40.800 -0.236 0.000 0.939 642 D HN 0.551 nan 8.370 nan 0.000 0.510 643 Y N 1.251 121.556 120.300 0.009 0.000 2.587 643 Y HA 0.162 4.712 4.550 0.000 0.000 0.344 643 Y C 0.720 176.621 175.900 0.002 0.000 1.061 643 Y CA 0.120 58.220 58.100 -0.000 0.000 1.370 643 Y CB 0.343 38.796 38.460 -0.011 0.000 1.163 643 Y HN -0.341 nan 8.280 nan 0.000 0.527 644 T N 3.194 117.801 114.554 0.089 0.000 2.829 644 T HA 0.437 4.787 4.350 0.000 0.000 0.280 644 T C -0.244 174.492 174.700 0.060 0.000 0.999 644 T CA -0.835 61.303 62.100 0.063 0.000 0.983 644 T CB 1.413 70.298 68.868 0.029 0.000 0.968 644 T HN 0.199 nan 8.240 nan 0.000 0.446 645 V N 2.353 122.302 119.914 0.059 0.000 2.614 645 V HA 0.632 4.752 4.120 0.000 0.000 0.291 645 V C 0.453 176.569 176.094 0.036 0.000 1.049 645 V CA -0.206 62.127 62.300 0.055 0.000 1.038 645 V CB 0.701 32.560 31.823 0.061 0.000 0.980 645 V HN 1.145 nan 8.190 nan 0.000 0.481 646 A N 3.497 126.330 122.820 0.022 0.000 2.556 646 A HA 0.788 5.108 4.320 0.000 0.000 0.294 646 A C -0.358 177.214 177.584 -0.019 0.000 1.091 646 A CA -0.604 51.435 52.037 0.004 0.000 0.704 646 A CB 1.870 20.863 19.000 -0.012 0.000 1.300 646 A HN 0.650 nan 8.150 nan 0.000 0.406 647 T N 2.765 117.308 114.554 -0.020 0.000 2.749 647 T HA 0.493 4.843 4.350 0.000 0.000 0.287 647 T C -0.577 174.074 174.700 -0.082 0.000 0.970 647 T CA -0.331 61.740 62.100 -0.048 0.000 0.980 647 T CB 0.780 69.646 68.868 -0.003 0.000 0.924 647 T HN 0.554 nan 8.240 nan 0.000 0.456 648 Q N 1.822 121.467 119.800 -0.257 0.000 2.245 648 Q HA 0.614 4.954 4.340 0.000 0.000 0.256 648 Q C -0.691 175.223 176.000 -0.143 0.000 0.942 648 Q CA -0.632 55.036 55.803 -0.224 0.000 0.896 648 Q CB 2.026 30.369 28.738 -0.659 0.000 1.272 648 Q HN 0.520 nan 8.270 nan 0.000 0.442 649 S N 1.863 117.607 115.700 0.074 0.000 2.647 649 S HA 0.541 5.011 4.470 0.000 0.000 0.300 649 S C -0.508 174.188 174.600 0.161 0.000 1.129 649 S CA -0.573 57.697 58.200 0.117 0.000 1.029 649 S CB 0.658 63.922 63.200 0.106 0.000 1.007 649 S HN 0.363 nan 8.310 nan 0.000 0.484 650 I N 3.016 123.715 120.570 0.215 0.000 2.321 650 I HA 0.326 4.496 4.170 0.000 0.000 0.291 650 I C 0.230 176.454 176.117 0.178 0.000 0.998 650 I CA -0.380 61.038 61.300 0.196 0.000 1.227 650 I CB 0.565 38.719 38.000 0.256 0.000 1.368 650 I HN 0.621 nan 8.210 nan 0.000 0.466 651 H N 5.264 124.368 119.070 0.058 0.000 2.582 651 H HA 0.526 5.082 4.556 0.000 0.000 0.345 651 H C -0.660 174.656 175.328 -0.020 0.000 1.104 651 H CA -0.053 55.971 56.048 -0.039 0.000 1.390 651 H CB 0.529 30.263 29.762 -0.048 0.000 1.461 651 H HN 0.751 nan 8.280 nan 0.000 0.551 652 H N 1.738 120.648 119.070 -0.267 0.000 2.768 652 H HA 0.611 5.167 4.556 0.000 0.000 0.371 652 H C 0.218 175.434 175.328 -0.186 0.000 1.151 652 H CA -0.749 55.202 56.048 -0.162 0.000 1.165 652 H CB 1.218 30.880 29.762 -0.165 0.000 1.722 652 H HN 0.998 nan 8.280 nan 0.000 0.543 653 G N 0.083 108.883 108.800 -0.000 0.000 2.814 653 G HA2 0.308 4.269 3.960 0.000 0.000 0.677 653 G HA3 0.308 4.269 3.960 0.000 0.000 0.677 653 G C 0.488 175.401 174.900 0.022 0.000 1.429 653 G CA 0.410 45.490 45.100 -0.033 0.000 0.868 653 G HN 2.221 nan 8.290 nan 0.000 0.553 654 G N -0.341 108.514 108.800 0.091 0.000 2.539 654 G HA2 -0.159 3.801 3.960 0.000 0.000 0.256 654 G HA3 -0.159 3.801 3.960 0.000 0.000 0.256 654 G C 0.876 175.797 174.900 0.036 0.000 1.233 654 G CA 1.035 46.166 45.100 0.051 0.000 0.936 654 G HN 1.583 nan 8.290 nan 0.000 0.571 655 K N 0.983 121.313 120.400 -0.117 0.000 2.459 655 K HA 0.164 4.484 4.320 0.000 0.000 0.193 655 K C 0.910 177.193 176.600 -0.529 0.000 1.030 655 K CA 1.009 57.167 56.287 -0.214 0.000 1.026 655 K CB 0.296 32.678 32.500 -0.198 0.000 0.809 655 K HN 0.520 nan 8.250 nan 0.000 0.504 656 E N 0.969 120.767 120.200 -0.669 0.000 3.582 656 E HA 0.192 4.542 4.350 0.000 0.000 0.217 656 E C -1.184 174.956 176.600 -0.767 0.000 1.092 656 E CA -0.377 55.145 56.400 -1.463 0.000 1.365 656 E CB 1.232 30.254 29.700 -1.129 0.000 1.278 656 E HN 0.142 nan 8.360 nan 0.000 0.439 657 A N 1.343 123.898 122.820 -0.442 0.000 2.376 657 A HA 0.193 4.513 4.320 0.000 0.000 0.298 657 A C 0.479 178.172 177.584 0.182 0.000 1.271 657 A CA -0.142 51.845 52.037 -0.083 0.000 0.926 657 A CB -0.034 18.791 19.000 -0.292 0.000 1.141 657 A HN 0.110 nan 8.150 nan 0.000 0.539 658 T N 2.759 117.456 114.554 0.238 0.000 2.916 658 T HA 0.435 4.785 4.350 0.000 0.000 0.303 658 T C 0.630 175.368 174.700 0.064 0.000 1.025 658 T CA 0.911 63.147 62.100 0.228 0.000 1.142 658 T CB 0.187 69.124 68.868 0.114 0.000 0.947 658 T HN 1.174 nan 8.240 nan 0.000 0.544 659 S N 2.344 118.031 115.700 -0.022 0.000 2.615 659 S HA 0.647 5.117 4.470 0.000 0.000 0.269 659 S C -1.397 173.077 174.600 -0.210 0.000 1.161 659 S CA -1.119 56.971 58.200 -0.183 0.000 0.817 659 S CB 1.206 64.179 63.200 -0.379 0.000 1.131 659 S HN 0.438 nan 8.310 nan 0.000 0.467 660 I N 2.032 122.457 120.570 -0.241 0.000 2.321 660 I HA 0.312 4.482 4.170 0.000 0.000 0.291 660 I C -0.512 175.484 176.117 -0.201 0.000 0.998 660 I CA -0.685 60.488 61.300 -0.211 0.000 1.227 660 I CB 1.199 39.099 38.000 -0.167 0.000 1.368 660 I HN 0.656 nan 8.210 nan 0.000 0.466 661 L N 7.120 128.235 121.223 -0.180 0.000 2.363 661 L HA 0.316 4.656 4.340 0.000 0.000 0.286 661 L C 0.049 176.868 176.870 -0.085 0.000 1.106 661 L CA -0.187 54.575 54.840 -0.131 0.000 0.859 661 L CB -0.024 41.970 42.059 -0.109 0.000 1.223 661 L HN 0.342 nan 8.230 nan 0.000 0.446 662 L N 6.137 127.337 121.223 -0.039 0.000 2.350 662 L HA 0.338 4.678 4.340 0.000 0.000 0.275 662 L C -1.728 175.148 176.870 0.009 0.000 1.099 662 L CA -1.726 53.123 54.840 0.014 0.000 0.808 662 L CB 1.282 43.394 42.059 0.089 0.000 1.149 662 L HN 0.353 nan 8.230 nan 0.000 0.442 663 P HA 0.082 nan 4.420 nan 0.000 0.231 663 P C -0.325 176.970 177.300 -0.008 0.000 1.811 663 P CA -0.122 62.955 63.100 -0.038 0.000 1.051 663 P CB 0.079 31.732 31.700 -0.079 0.000 1.951 664 V N 3.407 123.324 119.914 0.004 0.000 2.637 664 V HA 0.145 4.265 4.120 0.000 0.000 0.296 664 V C 1.087 177.164 176.094 -0.028 0.000 1.046 664 V CA 0.059 62.362 62.300 0.005 0.000 1.066 664 V CB 1.205 33.010 31.823 -0.029 0.000 0.968 664 V HN 0.318 nan 8.190 nan 0.000 0.483 665 V N 2.416 122.320 119.914 -0.015 0.000 3.040 665 V HA 0.704 4.824 4.120 0.000 0.000 0.312 665 V C -0.458 175.627 176.094 -0.015 0.000 1.115 665 V CA -1.226 61.060 62.300 -0.023 0.000 0.998 665 V CB 1.937 33.749 31.823 -0.019 0.000 1.042 665 V HN 0.734 nan 8.190 nan 0.000 0.433 666 K N 0.000 120.392 120.400 -0.013 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.281 56.287 -0.009 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543