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 2z6b_1_A DATA FIRST_RESID 6 DATA SEQUENCE NCLNWFVGVV EDRMDPLKLG RVRVRVVGLH PPQRAQGDVM GIPTEKLPWM DATA SEQUENCE SVIQPITSAA MSGIGGSVTG PVEGTRVYGH FLDKWKTNGI VLGTYGGIVR DATA SEQUENCE EKPNRLEGFS DPTGQYPRRL GNDTNVLNQG GEVGYDSSSN VIQDSNLDTA DATA SEQUENCE INPDDRPLSE IPTDDNPNMS MAEMLRRDEG LRLKVYWDTE GYPTIGIGHL DATA SEQUENCE IMKQPVRDMA QINKVLSKQV GREITGNPGS ITMEEATTLF ERDLADMQRD DATA SEQUENCE IKSHSKVGPV WQAVNRSRQM ALENMAFQMG VGGVAKFNTM LTAMLAGDWE DATA SEQUENCE KAYKAGRDSL WYQQTKGRAS RVTMIILTGN LESYGVEVKT PARSLLAMAA DATA SEQUENCE TVAKSSDPAD PPIPNDSRIL FKEPVSSYKG EYPYVHTMET ESGHIQEFDD DATA SEQUENCE TPGQERYRLV HPTGTYEEVS PSGRRTRKTV DNLYDITNAD GNFLVAGDKK DATA SEQUENCE TNVGGSEIYY NMDNRLHQID GSNTIFVRGD ETKTVEGNGT ILVKGNVTII DATA SEQUENCE VEGNADITVK GDATTLVEGN QTNTVNGNLS WKVAGTVDWD VGGDWTEKMA DATA SEQUENCE SMSSISSGQY TIDGSRIDIG SVD 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.504 175.510 -0.010 0.000 1.280 6 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 6 N CB 0.000 38.490 38.487 0.006 0.000 1.341 7 C N 2.861 122.157 119.300 -0.006 0.000 3.218 7 C HA 0.707 5.167 4.460 0.001 0.000 0.420 7 C C -1.984 173.008 174.990 0.002 0.000 0.987 7 C CA -0.939 58.071 59.018 -0.014 0.000 1.196 7 C CB -0.030 27.688 27.740 -0.038 0.000 1.576 7 C HN 0.833 nan 8.230 nan 0.000 0.594 8 L N 3.932 125.149 121.223 -0.010 0.000 2.344 8 L HA 0.774 5.115 4.340 0.001 0.000 0.272 8 L C -0.138 176.738 176.870 0.010 0.000 1.035 8 L CA 0.234 55.059 54.840 -0.024 0.000 0.807 8 L CB 1.550 43.543 42.059 -0.110 0.000 1.237 8 L HN 0.981 nan 8.230 nan 0.000 0.442 9 N N 2.269 121.002 118.700 0.055 0.000 2.446 9 N HA 0.388 5.129 4.740 0.001 0.000 0.272 9 N C -1.963 173.680 175.510 0.221 0.000 1.127 9 N CA -0.773 52.350 53.050 0.122 0.000 0.896 9 N CB 1.710 40.280 38.487 0.139 0.000 1.658 9 N HN 0.643 nan 8.380 nan 0.000 0.483 10 W N 2.377 123.752 121.300 0.124 0.000 2.576 10 W HA 0.755 5.416 4.660 0.001 0.000 0.360 10 W C -1.587 175.005 176.519 0.120 0.000 1.109 10 W CA -0.686 56.711 57.345 0.086 0.000 1.237 10 W CB 0.285 29.849 29.460 0.175 0.000 1.369 10 W HN 0.444 nan 8.180 nan 0.000 0.609 11 F N 0.313 120.379 119.950 0.193 0.000 2.741 11 F HA 0.723 5.251 4.527 0.000 0.000 0.313 11 F C -1.579 174.367 175.800 0.243 0.000 1.153 11 F CA -1.899 56.108 58.000 0.012 0.000 0.931 11 F CB 0.544 39.441 39.000 -0.172 0.000 1.335 11 F HN 0.391 nan 8.300 nan 0.000 0.460 12 V N -0.626 119.669 119.914 0.635 0.000 2.789 12 V HA 1.072 5.192 4.120 0.001 0.000 0.311 12 V C -0.374 176.080 176.094 0.601 0.000 1.073 12 V CA -0.150 62.504 62.300 0.589 0.000 0.921 12 V CB 0.790 32.919 31.823 0.511 0.000 1.009 12 V HN 1.673 nan 8.190 nan 0.000 0.426 13 G N 1.177 110.307 108.800 0.551 0.000 2.663 13 G HA2 0.688 4.649 3.960 0.001 0.000 0.299 13 G HA3 0.688 4.649 3.960 0.001 0.000 0.299 13 G C -1.882 173.217 174.900 0.331 0.000 1.372 13 G CA -0.662 44.684 45.100 0.410 0.000 0.781 13 G HN 1.026 nan 8.290 nan 0.000 0.491 14 V N 0.058 120.136 119.914 0.275 0.000 2.588 14 V HA 0.488 4.608 4.120 0.001 0.000 0.304 14 V C 0.141 176.291 176.094 0.092 0.000 1.042 14 V CA -0.744 61.662 62.300 0.177 0.000 0.877 14 V CB 1.683 33.636 31.823 0.217 0.000 0.996 14 V HN 0.615 nan 8.190 nan 0.000 0.425 15 V N 4.064 124.017 119.914 0.066 0.000 2.637 15 V HA 0.188 4.308 4.120 0.001 0.000 0.296 15 V C 0.932 177.033 176.094 0.012 0.000 1.046 15 V CA 0.472 62.795 62.300 0.038 0.000 1.066 15 V CB 1.156 33.007 31.823 0.046 0.000 0.968 15 V HN 1.049 nan 8.190 nan 0.000 0.483 16 E N 1.580 121.762 120.200 -0.030 0.000 2.536 16 E HA 0.167 4.518 4.350 0.001 0.000 0.220 16 E C -0.439 176.130 176.600 -0.051 0.000 0.876 16 E CA -0.021 56.350 56.400 -0.048 0.000 1.190 16 E CB 0.997 30.635 29.700 -0.103 0.000 1.191 16 E HN 0.730 nan 8.360 nan 0.000 0.557 17 D N 0.152 120.512 120.400 -0.066 0.000 2.947 17 D HA 0.150 4.790 4.640 0.001 0.000 0.224 17 D C -0.231 176.123 176.300 0.089 0.000 1.230 17 D CA -0.430 53.544 54.000 -0.043 0.000 0.871 17 D CB 1.139 41.804 40.800 -0.224 0.000 1.671 17 D HN -0.014 nan 8.370 nan 0.000 0.507 18 R N 2.350 122.973 120.500 0.206 0.000 2.549 18 R HA 0.220 4.561 4.340 0.001 0.000 0.361 18 R C -0.026 176.455 176.300 0.301 0.000 0.969 18 R CA -0.450 55.819 56.100 0.281 0.000 1.158 18 R CB 0.123 30.517 30.300 0.158 0.000 1.456 18 R HN 0.186 nan 8.270 nan 0.000 0.540 19 M N 2.922 122.729 119.600 0.345 0.000 3.706 19 M HA 0.131 4.611 4.480 0.001 0.000 0.204 19 M C -0.355 176.016 176.300 0.118 0.000 1.455 19 M CA -0.369 55.063 55.300 0.220 0.000 1.659 19 M CB -0.773 31.944 32.600 0.195 0.000 1.076 19 M HN 0.031 nan 8.290 nan 0.000 0.577 20 D N 4.113 124.439 120.400 -0.123 0.000 2.451 20 D HA 0.025 4.665 4.640 0.001 0.000 0.254 20 D C -1.187 174.859 176.300 -0.424 0.000 1.204 20 D CA -1.228 52.358 54.000 -0.689 0.000 0.896 20 D CB 1.171 41.692 40.800 -0.466 0.000 1.136 20 D HN 0.234 nan 8.370 nan 0.000 0.499 21 P HA -0.103 nan 4.420 nan 0.000 0.223 21 P C 1.412 178.590 177.300 -0.203 0.000 1.151 21 P CA 0.685 63.644 63.100 -0.235 0.000 0.787 21 P CB 0.329 31.919 31.700 -0.183 0.000 0.788 22 L N -1.615 119.446 121.223 -0.271 0.000 2.558 22 L HA 0.127 4.467 4.340 0.001 0.000 0.225 22 L C 0.656 177.445 176.870 -0.136 0.000 1.128 22 L CA 0.121 54.853 54.840 -0.180 0.000 0.868 22 L CB -0.617 41.327 42.059 -0.191 0.000 1.006 22 L HN -0.139 nan 8.230 nan 0.000 0.454 23 K N -0.168 120.143 120.400 -0.148 0.000 3.129 23 K HA -0.175 4.145 4.320 0.001 0.000 0.273 23 K C 0.407 176.963 176.600 -0.074 0.000 1.123 23 K CA 0.577 56.809 56.287 -0.092 0.000 0.800 23 K CB -1.787 30.677 32.500 -0.060 0.000 1.238 23 K HN 0.245 nan 8.250 nan 0.000 0.492 24 L N -1.245 119.921 121.223 -0.095 0.000 2.653 24 L HA 0.184 4.524 4.340 0.001 0.000 0.231 24 L C 1.455 178.307 176.870 -0.031 0.000 1.153 24 L CA 0.563 55.368 54.840 -0.058 0.000 0.933 24 L CB 0.139 42.161 42.059 -0.062 0.000 1.175 24 L HN 0.589 nan 8.230 nan 0.000 0.473 25 G N 0.789 109.572 108.800 -0.029 0.000 2.143 25 G HA2 -0.280 3.681 3.960 0.001 0.000 0.249 25 G HA3 -0.280 3.681 3.960 0.001 0.000 0.249 25 G C 0.424 175.353 174.900 0.047 0.000 0.981 25 G CA -0.149 44.959 45.100 0.012 0.000 0.665 25 G HN 0.378 nan 8.290 nan 0.000 0.528 26 R N -0.454 120.063 120.500 0.028 0.000 2.738 26 R HA 0.516 4.857 4.340 0.001 0.000 0.268 26 R C 0.476 176.963 176.300 0.311 0.000 1.062 26 R CA 0.505 56.687 56.100 0.135 0.000 1.158 26 R CB 1.110 31.454 30.300 0.072 0.000 1.046 26 R HN 0.797 nan 8.270 nan 0.000 0.493 27 V N -1.353 118.794 119.914 0.388 0.000 2.888 27 V HA 0.489 4.609 4.120 0.001 0.000 0.309 27 V C -0.522 175.711 176.094 0.231 0.000 1.114 27 V CA -1.323 61.194 62.300 0.361 0.000 0.940 27 V CB 2.087 34.023 31.823 0.189 0.000 1.021 27 V HN 0.673 nan 8.190 nan 0.000 0.426 28 R N 2.129 122.609 120.500 -0.035 0.000 2.298 28 R HA 0.723 5.064 4.340 0.001 0.000 0.310 28 R C -0.979 175.254 176.300 -0.112 0.000 1.068 28 R CA -0.381 55.557 56.100 -0.269 0.000 0.957 28 R CB 1.668 31.602 30.300 -0.611 0.000 1.003 28 R HN 0.694 nan 8.270 nan 0.000 0.454 29 V N 3.820 123.693 119.914 -0.068 0.000 2.540 29 V HA 0.363 4.483 4.120 0.001 0.000 0.302 29 V C 0.021 176.117 176.094 0.004 0.000 1.035 29 V CA -0.907 61.378 62.300 -0.025 0.000 0.873 29 V CB 1.814 33.621 31.823 -0.027 0.000 0.992 29 V HN 0.666 nan 8.190 nan 0.000 0.428 30 R N 3.307 123.801 120.500 -0.009 0.000 2.229 30 R HA 0.603 4.943 4.340 0.001 0.000 0.328 30 R C -1.230 175.154 176.300 0.140 0.000 1.009 30 R CA -0.368 55.731 56.100 -0.002 0.000 0.864 30 R CB 1.340 31.343 30.300 -0.494 0.000 1.085 30 R HN 0.574 nan 8.270 nan 0.000 0.453 31 V N 5.733 125.729 119.914 0.136 0.000 2.406 31 V HA 0.124 4.245 4.120 0.001 0.000 0.272 31 V C 0.466 176.798 176.094 0.396 0.000 1.043 31 V CA -0.724 61.608 62.300 0.054 0.000 0.915 31 V CB 1.381 32.968 31.823 -0.393 0.000 0.988 31 V HN 0.549 nan 8.190 nan 0.000 0.466 32 V N 5.883 126.058 119.914 0.436 0.000 2.694 32 V HA 0.400 4.520 4.120 0.001 0.000 0.306 32 V C 1.453 177.601 176.094 0.091 0.000 1.054 32 V CA 1.958 64.329 62.300 0.118 0.000 1.161 32 V CB 0.096 31.900 31.823 -0.032 0.000 0.916 32 V HN 1.291 nan 8.190 nan 0.000 0.490 33 G N 3.971 112.806 108.800 0.058 0.000 4.686 33 G HA2 -0.228 3.732 3.960 0.001 0.000 0.235 33 G HA3 -0.228 3.732 3.960 0.001 0.000 0.235 33 G C 0.379 175.321 174.900 0.070 0.000 1.589 33 G CA 0.203 45.326 45.100 0.038 0.000 1.172 33 G HN 1.179 nan 8.290 nan 0.000 0.660 34 L N 0.922 122.168 121.223 0.038 0.000 2.558 34 L HA 0.511 4.851 4.340 0.001 0.000 0.225 34 L C 0.785 177.750 176.870 0.158 0.000 1.128 34 L CA 0.404 55.264 54.840 0.034 0.000 0.868 34 L CB -1.463 40.562 42.059 -0.057 0.000 1.006 34 L HN 0.596 nan 8.230 nan 0.000 0.454 35 H N 1.924 121.081 119.070 0.146 0.000 2.469 35 H HA 0.531 5.087 4.556 0.001 0.000 0.342 35 H C -2.358 173.086 175.328 0.193 0.000 1.115 35 H CA -2.356 53.749 56.048 0.095 0.000 1.204 35 H CB 2.020 31.778 29.762 -0.007 0.000 1.492 35 H HN 0.043 nan 8.280 nan 0.000 0.499 36 P HA 0.145 nan 4.420 nan 0.000 0.284 36 P C -2.491 174.908 177.300 0.165 0.000 1.258 36 P CA -2.043 61.178 63.100 0.201 0.000 0.824 36 P CB 2.274 34.031 31.700 0.095 0.000 1.038 37 P HA -0.095 nan 4.420 nan 0.000 0.216 37 P C -0.009 177.327 177.300 0.060 0.000 1.153 37 P CA 1.408 64.653 63.100 0.242 0.000 0.848 37 P CB -0.144 31.724 31.700 0.280 0.000 0.787 38 Q N 0.042 119.870 119.800 0.046 0.000 2.275 38 Q HA -0.015 4.325 4.340 0.001 0.000 0.293 38 Q C 1.228 177.206 176.000 -0.036 0.000 1.129 38 Q CA 0.729 56.537 55.803 0.007 0.000 0.971 38 Q CB -0.229 28.515 28.738 0.010 0.000 1.098 38 Q HN 0.180 nan 8.270 nan 0.000 0.386 39 R N 1.904 122.379 120.500 -0.043 0.000 2.093 39 R HA 0.078 4.418 4.340 0.001 0.000 0.224 39 R C 0.174 176.438 176.300 -0.060 0.000 1.101 39 R CA 0.812 56.871 56.100 -0.069 0.000 0.979 39 R CB 0.194 30.458 30.300 -0.060 0.000 0.877 39 R HN 0.603 nan 8.270 nan 0.000 0.441 40 A N 2.118 124.915 122.820 -0.039 0.000 2.396 40 A HA 0.028 4.349 4.320 0.001 0.000 0.279 40 A C -0.142 177.421 177.584 -0.035 0.000 1.165 40 A CA -0.170 51.847 52.037 -0.034 0.000 0.824 40 A CB 0.265 19.252 19.000 -0.022 0.000 1.100 40 A HN 0.261 nan 8.150 nan 0.000 0.516 41 Q N 1.959 121.735 119.800 -0.041 0.000 2.286 41 Q HA 0.307 4.647 4.340 0.001 0.000 0.290 41 Q C 0.570 176.554 176.000 -0.028 0.000 1.049 41 Q CA 0.724 56.503 55.803 -0.040 0.000 0.923 41 Q CB 0.478 29.190 28.738 -0.044 0.000 1.183 41 Q HN 0.850 nan 8.270 nan 0.000 0.383 42 G N 2.579 111.365 108.800 -0.024 0.000 3.075 42 G HA2 0.113 4.073 3.960 0.001 0.000 0.253 42 G HA3 0.113 4.073 3.960 0.001 0.000 0.253 42 G C -0.249 174.642 174.900 -0.016 0.000 1.353 42 G CA -0.354 44.736 45.100 -0.016 0.000 1.051 42 G HN 0.721 nan 8.290 nan 0.000 0.553 43 D N -0.860 119.533 120.400 -0.012 0.000 2.123 43 D HA -0.101 4.539 4.640 0.001 0.000 0.200 43 D C 2.599 178.891 176.300 -0.012 0.000 0.976 43 D CA 1.981 55.974 54.000 -0.012 0.000 0.831 43 D CB 0.062 40.857 40.800 -0.008 0.000 0.974 43 D HN 0.208 nan 8.370 nan 0.000 0.469 44 V N -1.825 118.084 119.914 -0.008 0.000 2.908 44 V HA 0.231 4.351 4.120 0.001 0.000 0.240 44 V C 1.073 177.163 176.094 -0.005 0.000 1.117 44 V CA 0.073 62.369 62.300 -0.006 0.000 1.133 44 V CB -0.096 31.728 31.823 0.001 0.000 0.857 44 V HN 0.036 nan 8.190 nan 0.000 0.478 45 M N 0.162 119.760 119.600 -0.003 0.000 2.755 45 M HA 0.896 5.376 4.480 0.001 0.000 0.298 45 M C -0.096 176.194 176.300 -0.017 0.000 1.251 45 M CA -0.054 55.244 55.300 -0.003 0.000 0.817 45 M CB 2.056 34.665 32.600 0.016 0.000 1.760 45 M HN 0.635 nan 8.290 nan 0.000 0.473 46 G N 1.398 110.181 108.800 -0.029 0.000 3.187 46 G HA2 0.269 4.229 3.960 0.001 0.000 0.682 46 G HA3 0.269 4.229 3.960 0.001 0.000 0.682 46 G C -1.698 173.152 174.900 -0.083 0.000 1.266 46 G CA -1.009 44.063 45.100 -0.047 0.000 0.902 46 G HN 0.950 nan 8.290 nan 0.000 0.589 47 I N 3.027 123.527 120.570 -0.117 0.000 2.611 47 I HA 0.289 4.460 4.170 0.001 0.000 0.287 47 I C -2.558 173.458 176.117 -0.169 0.000 1.184 47 I CA -1.969 59.233 61.300 -0.164 0.000 1.054 47 I CB 3.053 40.899 38.000 -0.257 0.000 1.257 47 I HN 0.266 nan 8.210 nan 0.000 0.435 48 P HA 0.213 nan 4.420 nan 0.000 0.274 48 P C 0.675 177.871 177.300 -0.172 0.000 1.246 48 P CA -0.196 62.825 63.100 -0.132 0.000 0.795 48 P CB 0.776 32.416 31.700 -0.101 0.000 1.006 49 T N 0.435 114.893 114.554 -0.160 0.000 2.652 49 T HA -0.150 4.201 4.350 0.001 0.000 0.267 49 T C 1.241 175.795 174.700 -0.244 0.000 1.039 49 T CA 1.556 63.539 62.100 -0.196 0.000 1.153 49 T CB -0.672 68.104 68.868 -0.153 0.000 0.863 49 T HN 0.607 nan 8.240 nan 0.000 0.428 50 E N 1.553 121.636 120.200 -0.196 0.000 2.520 50 E HA -0.069 4.282 4.350 0.001 0.000 0.201 50 E C 1.207 177.689 176.600 -0.197 0.000 1.122 50 E CA 0.607 56.882 56.400 -0.209 0.000 0.896 50 E CB -0.270 29.370 29.700 -0.099 0.000 0.891 50 E HN 0.387 nan 8.360 nan 0.000 0.533 51 K N 0.282 120.558 120.400 -0.206 0.000 2.367 51 K HA 0.251 4.571 4.320 0.001 0.000 0.195 51 K C 0.666 177.130 176.600 -0.226 0.000 1.060 51 K CA -0.154 56.026 56.287 -0.177 0.000 1.022 51 K CB 0.692 33.101 32.500 -0.152 0.000 0.894 51 K HN 0.188 nan 8.250 nan 0.000 0.540 52 L N 4.250 125.296 121.223 -0.294 0.000 2.418 52 L HA 0.136 4.477 4.340 0.001 0.000 0.274 52 L C -2.255 174.429 176.870 -0.309 0.000 1.135 52 L CA -1.835 52.822 54.840 -0.306 0.000 0.870 52 L CB -0.003 41.870 42.059 -0.311 0.000 1.154 52 L HN -0.199 nan 8.230 nan 0.000 0.462 53 P HA -0.080 nan 4.420 nan 0.000 0.267 53 P C -1.100 176.158 177.300 -0.070 0.000 1.200 53 P CA -0.090 62.967 63.100 -0.071 0.000 0.772 53 P CB 0.326 32.060 31.700 0.058 0.000 0.855 54 W N 2.415 123.737 121.300 0.036 0.000 2.261 54 W HA 0.413 5.073 4.660 0.001 0.000 0.323 54 W C 0.435 176.985 176.519 0.052 0.000 1.243 54 W CA -0.159 57.209 57.345 0.037 0.000 1.210 54 W CB 0.185 29.663 29.460 0.031 0.000 1.149 54 W HN 0.134 nan 8.180 nan 0.000 0.562 55 M N 1.787 121.559 119.600 0.287 0.000 2.508 55 M HA 0.352 4.833 4.480 0.001 0.000 0.327 55 M C -0.030 176.380 176.300 0.185 0.000 1.160 55 M CA -0.583 54.835 55.300 0.196 0.000 0.980 55 M CB 1.963 34.644 32.600 0.135 0.000 1.693 55 M HN 0.288 nan 8.290 nan 0.000 0.452 56 S N 1.122 116.907 115.700 0.141 0.000 2.632 56 S HA 0.604 5.074 4.470 0.001 0.000 0.271 56 S C -0.660 173.991 174.600 0.086 0.000 1.260 56 S CA -0.919 57.343 58.200 0.103 0.000 1.010 56 S CB 1.381 64.630 63.200 0.082 0.000 0.965 56 S HN 0.534 nan 8.310 nan 0.000 0.534 57 V N 0.488 120.442 119.914 0.066 0.000 2.667 57 V HA 0.652 4.772 4.120 0.001 0.000 0.308 57 V C -0.715 175.400 176.094 0.036 0.000 1.048 57 V CA -0.858 61.473 62.300 0.051 0.000 0.928 57 V CB 1.122 32.976 31.823 0.052 0.000 1.004 57 V HN 0.621 nan 8.190 nan 0.000 0.444 58 I N 3.410 123.995 120.570 0.024 0.000 2.359 58 I HA 0.490 4.661 4.170 0.001 0.000 0.294 58 I C 0.292 176.420 176.117 0.019 0.000 0.987 58 I CA -0.167 61.145 61.300 0.019 0.000 1.225 58 I CB 1.215 39.221 38.000 0.009 0.000 1.366 58 I HN 0.856 nan 8.210 nan 0.000 0.466 59 Q N 6.309 126.120 119.800 0.019 0.000 2.205 59 Q HA 0.448 4.788 4.340 0.001 0.000 0.249 59 Q C -2.051 173.958 176.000 0.014 0.000 0.948 59 Q CA -1.604 54.210 55.803 0.018 0.000 0.895 59 Q CB 0.809 29.557 28.738 0.017 0.000 1.249 59 Q HN 0.429 nan 8.270 nan 0.000 0.458 60 P HA -0.031 nan 4.420 nan 0.000 0.268 60 P C 0.301 177.606 177.300 0.007 0.000 1.208 60 P CA 0.075 63.180 63.100 0.009 0.000 0.777 60 P CB 0.502 32.207 31.700 0.008 0.000 0.875 61 I N -0.466 120.107 120.570 0.005 0.000 3.241 61 I HA -0.098 4.072 4.170 0.001 0.000 0.280 61 I C 1.402 177.520 176.117 0.002 0.000 1.320 61 I CA 1.258 62.560 61.300 0.004 0.000 1.413 61 I CB -1.907 36.095 38.000 0.002 0.000 1.060 61 I HN 0.257 nan 8.210 nan 0.000 0.500 62 T N -2.919 111.636 114.554 0.001 0.000 3.085 62 T HA 0.065 4.416 4.350 0.001 0.000 0.263 62 T C 1.085 175.786 174.700 0.003 0.000 1.127 62 T CA 0.502 62.602 62.100 -0.001 0.000 1.103 62 T CB -0.453 68.414 68.868 -0.002 0.000 0.921 62 T HN 0.354 nan 8.240 nan 0.000 0.510 63 S N 0.715 116.419 115.700 0.006 0.000 2.430 63 S HA 0.632 5.102 4.470 0.001 0.000 0.289 63 S C 1.451 176.055 174.600 0.006 0.000 1.143 63 S CA -0.330 57.874 58.200 0.007 0.000 1.067 63 S CB 0.559 63.764 63.200 0.010 0.000 0.964 63 S HN 0.431 nan 8.310 nan 0.000 0.485 64 A N 4.969 127.792 122.820 0.005 0.000 1.933 64 A HA 0.316 4.636 4.320 0.001 0.000 0.218 64 A C 1.505 179.093 177.584 0.006 0.000 1.175 64 A CA 1.230 53.270 52.037 0.005 0.000 0.628 64 A CB -1.218 17.784 19.000 0.003 0.000 0.814 64 A HN 2.132 nan 8.150 nan 0.000 0.444 65 A N -2.719 120.105 122.820 0.006 0.000 2.739 65 A HA -0.120 4.201 4.320 0.001 0.000 0.296 65 A C 0.195 177.782 177.584 0.005 0.000 1.488 65 A CA 1.344 53.385 52.037 0.006 0.000 0.746 65 A CB -1.770 17.235 19.000 0.009 0.000 1.047 65 A HN 0.525 nan 8.150 nan 0.000 0.477 66 M N 0.079 119.681 119.600 0.004 0.000 2.151 66 M HA 0.413 4.893 4.480 0.001 0.000 0.290 66 M C 0.747 177.047 176.300 0.001 0.000 0.965 66 M CA 0.082 55.383 55.300 0.002 0.000 0.930 66 M CB 1.191 33.793 32.600 0.002 0.000 1.560 66 M HN 1.021 nan 8.290 nan 0.000 0.438 67 S N 2.944 118.644 115.700 0.000 0.000 3.378 67 S HA -0.165 4.305 4.470 0.001 0.000 0.365 67 S C 1.142 175.741 174.600 -0.001 0.000 0.951 67 S CA 1.255 59.455 58.200 -0.001 0.000 1.274 67 S CB -1.587 61.612 63.200 -0.001 0.000 0.915 67 S HN 1.351 nan 8.310 nan 0.000 0.513 68 G N -0.160 108.640 108.800 -0.001 0.000 2.184 68 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 68 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 68 G C 0.101 175.002 174.900 0.001 0.000 0.975 68 G CA 0.295 45.395 45.100 -0.000 0.000 0.642 68 G HN 0.745 nan 8.290 nan 0.000 0.536 69 I N 1.464 122.035 120.570 0.002 0.000 2.325 69 I HA 0.562 4.733 4.170 0.001 0.000 0.291 69 I C 1.007 177.126 176.117 0.004 0.000 1.019 69 I CA 0.630 61.932 61.300 0.003 0.000 1.302 69 I CB 0.829 38.830 38.000 0.002 0.000 1.401 69 I HN 0.623 nan 8.210 nan 0.000 0.485 70 G N 4.034 112.837 108.800 0.005 0.000 2.357 70 G HA2 0.297 4.257 3.960 0.001 0.000 0.289 70 G HA3 0.297 4.257 3.960 0.001 0.000 0.289 70 G C -0.806 174.099 174.900 0.008 0.000 1.302 70 G CA -0.349 44.755 45.100 0.007 0.000 0.936 70 G HN 0.815 nan 8.290 nan 0.000 0.513 71 G N -0.948 107.859 108.800 0.010 0.000 2.613 71 G HA2 0.664 4.625 3.960 0.001 0.000 0.303 71 G HA3 0.664 4.625 3.960 0.001 0.000 0.303 71 G C 0.604 175.511 174.900 0.012 0.000 1.312 71 G CA 0.875 45.983 45.100 0.012 0.000 1.036 71 G HN 1.785 nan 8.290 nan 0.000 0.513 72 S N -1.448 114.260 115.700 0.013 0.000 2.558 72 S HA -0.003 4.467 4.470 0.001 0.000 0.293 72 S C 1.439 176.049 174.600 0.015 0.000 1.292 72 S CA 0.091 58.298 58.200 0.013 0.000 1.063 72 S CB 0.678 63.886 63.200 0.014 0.000 0.831 72 S HN 1.346 nan 8.310 nan 0.000 0.499 73 V N 2.349 122.271 119.914 0.014 0.000 3.649 73 V HA 0.289 4.409 4.120 0.001 0.000 0.275 73 V C 0.743 176.850 176.094 0.023 0.000 1.281 73 V CA 0.524 62.834 62.300 0.017 0.000 1.143 73 V CB -1.295 30.534 31.823 0.010 0.000 0.892 73 V HN 0.912 nan 8.190 nan 0.000 0.441 74 T N -3.635 110.933 114.554 0.024 0.000 2.940 74 T HA 0.874 5.224 4.350 0.001 0.000 0.288 74 T C 0.581 175.297 174.700 0.027 0.000 1.045 74 T CA 0.141 62.259 62.100 0.030 0.000 1.018 74 T CB 1.938 70.824 68.868 0.031 0.000 1.151 74 T HN 0.688 nan 8.240 nan 0.000 0.529 75 G N 0.262 109.078 108.800 0.026 0.000 4.204 75 G HA2 0.207 4.167 3.960 0.001 0.000 0.198 75 G HA3 0.207 4.167 3.960 0.001 0.000 0.198 75 G C -2.488 172.410 174.900 -0.003 0.000 0.964 75 G CA -0.554 44.555 45.100 0.014 0.000 0.914 75 G HN 0.779 nan 8.290 nan 0.000 0.317 76 P HA 0.455 nan 4.420 nan 0.000 0.267 76 P C 0.155 177.440 177.300 -0.025 0.000 1.205 76 P CA -0.031 63.063 63.100 -0.011 0.000 0.765 76 P CB 1.504 33.218 31.700 0.025 0.000 0.828 77 V N 0.128 119.984 119.914 -0.098 0.000 2.834 77 V HA 0.415 4.535 4.120 0.001 0.000 0.313 77 V C 0.258 176.328 176.094 -0.040 0.000 1.060 77 V CA -1.109 61.125 62.300 -0.110 0.000 0.989 77 V CB 1.358 32.927 31.823 -0.423 0.000 1.041 77 V HN 0.499 nan 8.190 nan 0.000 0.459 78 E N 1.822 122.065 120.200 0.072 0.000 2.585 78 E HA 0.273 4.624 4.350 0.001 0.000 0.252 78 E C 0.990 177.653 176.600 0.105 0.000 0.981 78 E CA 0.718 57.177 56.400 0.098 0.000 0.943 78 E CB -0.100 29.677 29.700 0.129 0.000 0.923 78 E HN 1.706 nan 8.360 nan 0.000 0.486 79 G N 3.129 111.964 108.800 0.059 0.000 2.253 79 G HA2 -0.250 3.711 3.960 0.001 0.000 0.209 79 G HA3 -0.250 3.711 3.960 0.001 0.000 0.209 79 G C 0.419 175.322 174.900 0.004 0.000 0.997 79 G CA -0.001 45.135 45.100 0.060 0.000 0.640 79 G HN 0.593 nan 8.290 nan 0.000 0.496 80 T N 3.297 117.827 114.554 -0.040 0.000 2.902 80 T HA 0.356 4.706 4.350 0.001 0.000 0.301 80 T C 0.848 175.496 174.700 -0.085 0.000 1.012 80 T CA 0.141 62.190 62.100 -0.085 0.000 1.151 80 T CB 0.361 69.182 68.868 -0.079 0.000 0.946 80 T HN 0.339 nan 8.240 nan 0.000 0.542 81 R N 2.458 122.819 120.500 -0.231 0.000 2.389 81 R HA 0.429 4.769 4.340 0.001 0.000 0.295 81 R C -0.527 175.639 176.300 -0.224 0.000 1.075 81 R CA -0.426 55.445 56.100 -0.381 0.000 1.005 81 R CB 0.758 30.428 30.300 -1.050 0.000 0.987 81 R HN 0.313 nan 8.270 nan 0.000 0.452 82 V N 3.908 123.930 119.914 0.180 0.000 2.769 82 V HA 0.311 4.432 4.120 0.001 0.000 0.312 82 V C -1.262 175.121 176.094 0.481 0.000 1.061 82 V CA -0.829 61.672 62.300 0.335 0.000 0.931 82 V CB 1.981 33.957 31.823 0.254 0.000 1.010 82 V HN 0.633 nan 8.190 nan 0.000 0.433 83 Y N 2.808 123.201 120.300 0.155 0.000 2.429 83 Y HA 0.859 5.409 4.550 0.000 0.000 0.342 83 Y C 0.099 175.730 175.900 -0.448 0.000 1.004 83 Y CA -0.036 57.992 58.100 -0.120 0.000 1.075 83 Y CB 1.966 40.338 38.460 -0.146 0.000 1.214 83 Y HN 0.783 nan 8.280 nan 0.000 0.455 84 G N 3.226 110.787 108.800 -2.065 0.000 2.495 84 G HA2 0.344 4.304 3.960 0.001 0.000 0.294 84 G HA3 0.344 4.304 3.960 0.001 0.000 0.294 84 G C -2.244 171.646 174.900 -1.682 0.000 1.397 84 G CA -1.015 42.944 45.100 -1.901 0.000 0.790 84 G HN 0.770 nan 8.290 nan 0.000 0.486 85 H N -1.202 117.422 119.070 -0.743 0.000 2.569 85 H HA 0.563 5.120 4.556 0.001 0.000 0.357 85 H C -1.138 174.209 175.328 0.031 0.000 1.153 85 H CA -0.600 55.297 56.048 -0.252 0.000 1.193 85 H CB 2.640 32.348 29.762 -0.089 0.000 1.602 85 H HN 0.289 nan 8.280 nan 0.000 0.523 86 F N 1.838 121.989 119.950 0.335 0.000 2.421 86 F HA 0.214 4.741 4.527 0.001 0.000 0.337 86 F C 0.412 176.298 175.800 0.144 0.000 1.105 86 F CA -0.629 57.518 58.000 0.245 0.000 1.049 86 F CB 1.167 40.270 39.000 0.173 0.000 1.139 86 F HN 0.346 nan 8.300 nan 0.000 0.479 87 L N 3.516 124.952 121.223 0.355 0.000 2.872 87 L HA 0.227 4.567 4.340 0.001 0.000 0.245 87 L C -0.648 176.303 176.870 0.135 0.000 1.211 87 L CA -0.040 54.919 54.840 0.199 0.000 1.013 87 L CB -0.488 41.673 42.059 0.170 0.000 1.326 87 L HN 0.552 nan 8.230 nan 0.000 0.525 88 D N -1.247 119.226 120.400 0.121 0.000 2.736 88 D HA 0.079 4.720 4.640 0.001 0.000 0.223 88 D C 0.431 176.688 176.300 -0.071 0.000 1.231 88 D CA -0.617 53.404 54.000 0.034 0.000 0.818 88 D CB 1.550 42.405 40.800 0.090 0.000 1.587 88 D HN 0.021 nan 8.370 nan 0.000 0.463 89 K N 0.558 120.829 120.400 -0.215 0.000 2.127 89 K HA -0.176 4.144 4.320 0.001 0.000 0.208 89 K C 0.984 177.337 176.600 -0.412 0.000 1.047 89 K CA 1.330 57.372 56.287 -0.409 0.000 0.927 89 K CB -0.434 31.647 32.500 -0.698 0.000 0.716 89 K HN 0.549 nan 8.250 nan 0.000 0.450 90 W N 1.748 122.989 121.300 -0.098 0.000 3.077 90 W HA 0.160 4.820 4.660 0.000 0.000 0.245 90 W C -0.399 175.960 176.519 -0.267 0.000 1.316 90 W CA -0.473 56.789 57.345 -0.139 0.000 1.537 90 W CB 0.146 29.551 29.460 -0.091 0.000 1.131 90 W HN -0.014 nan 8.180 nan 0.000 0.695 91 K N 0.693 120.966 120.400 -0.212 0.000 3.653 91 K HA -0.208 4.112 4.320 0.001 0.000 0.275 91 K C 0.312 176.523 176.600 -0.649 0.000 0.962 91 K CA 1.013 56.794 56.287 -0.844 0.000 0.773 91 K CB -2.164 29.628 32.500 -1.181 0.000 1.463 91 K HN 0.376 nan 8.250 nan 0.000 0.450 92 T N -3.202 111.257 114.554 -0.158 0.000 3.192 92 T HA 0.087 4.437 4.350 0.001 0.000 0.295 92 T C 0.005 174.815 174.700 0.183 0.000 0.947 92 T CA -0.257 61.864 62.100 0.036 0.000 0.916 92 T CB 0.100 69.002 68.868 0.056 0.000 1.169 92 T HN 0.451 nan 8.240 nan 0.000 0.540 93 N N 0.365 119.234 118.700 0.282 0.000 2.675 93 N HA 0.486 5.227 4.740 0.001 0.000 0.254 93 N C -0.526 175.243 175.510 0.431 0.000 1.224 93 N CA -0.478 52.751 53.050 0.298 0.000 0.777 93 N CB 0.829 39.441 38.487 0.207 0.000 1.256 93 N HN 0.386 nan 8.380 nan 0.000 0.531 94 G N 2.033 111.084 108.800 0.419 0.000 2.453 94 G HA2 0.654 4.614 3.960 0.001 0.000 0.323 94 G HA3 0.654 4.614 3.960 0.001 0.000 0.323 94 G C -0.419 174.580 174.900 0.165 0.000 1.198 94 G CA -0.717 44.527 45.100 0.240 0.000 0.959 94 G HN 0.488 nan 8.290 nan 0.000 0.482 95 I N -1.209 119.450 120.570 0.149 0.000 2.646 95 I HA 0.742 4.913 4.170 0.001 0.000 0.299 95 I C -0.801 175.332 176.117 0.028 0.000 1.036 95 I CA -1.331 60.027 61.300 0.097 0.000 1.074 95 I CB 2.357 40.399 38.000 0.071 0.000 1.258 95 I HN 0.174 nan 8.210 nan 0.000 0.430 96 V N 5.366 125.301 119.914 0.035 0.000 2.439 96 V HA 0.217 4.337 4.120 0.001 0.000 0.282 96 V C 0.664 176.706 176.094 -0.086 0.000 1.039 96 V CA -0.205 62.076 62.300 -0.031 0.000 0.913 96 V CB 1.466 33.339 31.823 0.083 0.000 0.983 96 V HN 0.705 nan 8.190 nan 0.000 0.460 97 L N 3.908 125.025 121.223 -0.176 0.000 2.286 97 L HA 0.541 4.881 4.340 0.001 0.000 0.203 97 L C 1.076 177.956 176.870 0.016 0.000 1.068 97 L CA 1.332 56.120 54.840 -0.086 0.000 0.811 97 L CB -0.189 41.792 42.059 -0.129 0.000 0.989 97 L HN 0.806 nan 8.230 nan 0.000 0.467 98 G N -1.997 106.848 108.800 0.075 0.000 2.649 98 G HA2 0.531 4.491 3.960 0.001 0.000 0.290 98 G HA3 0.531 4.491 3.960 0.001 0.000 0.290 98 G C -1.213 173.789 174.900 0.169 0.000 1.426 98 G CA 0.195 45.358 45.100 0.106 0.000 0.794 98 G HN -0.028 nan 8.290 nan 0.000 0.483 99 T N -2.357 112.289 114.554 0.154 0.000 2.938 99 T HA 0.856 5.206 4.350 0.001 0.000 0.285 99 T C -0.486 174.366 174.700 0.252 0.000 1.028 99 T CA -0.510 61.692 62.100 0.169 0.000 1.005 99 T CB 1.771 70.673 68.868 0.057 0.000 1.157 99 T HN 1.640 nan 8.240 nan 0.000 0.550 100 Y N -2.387 117.939 120.300 0.043 0.000 2.725 100 Y HA 0.809 5.360 4.550 0.001 0.000 0.333 100 Y C -0.489 175.430 175.900 0.032 0.000 1.242 100 Y CA -1.213 56.903 58.100 0.028 0.000 1.059 100 Y CB 0.890 39.361 38.460 0.017 0.000 1.306 100 Y HN 1.085 nan 8.280 nan 0.000 0.454 101 G N -1.035 107.835 108.800 0.115 0.000 2.649 101 G HA2 0.672 4.632 3.960 0.001 0.000 0.290 101 G HA3 0.672 4.632 3.960 0.001 0.000 0.290 101 G C -1.119 173.843 174.900 0.103 0.000 1.426 101 G CA -0.415 44.693 45.100 0.013 0.000 0.794 101 G HN 1.523 nan 8.290 nan 0.000 0.483 102 G N -1.386 107.448 108.800 0.056 0.000 2.604 102 G HA2 0.463 4.424 3.960 0.001 0.000 0.242 102 G HA3 0.463 4.424 3.960 0.001 0.000 0.242 102 G C -1.468 173.454 174.900 0.037 0.000 1.208 102 G CA -0.603 44.535 45.100 0.064 0.000 0.912 102 G HN 0.615 nan 8.290 nan 0.000 0.502 103 I N 1.861 122.452 120.570 0.034 0.000 2.342 103 I HA 0.341 4.512 4.170 0.001 0.000 0.291 103 I C 0.156 176.289 176.117 0.026 0.000 1.010 103 I CA -0.581 60.733 61.300 0.023 0.000 1.308 103 I CB 1.010 39.020 38.000 0.016 0.000 1.400 103 I HN 0.061 nan 8.210 nan 0.000 0.488 104 V N 8.276 128.204 119.914 0.023 0.000 2.304 104 V HA 0.256 4.377 4.120 0.001 0.000 0.262 104 V C 1.513 177.620 176.094 0.022 0.000 1.061 104 V CA -0.602 61.714 62.300 0.026 0.000 0.872 104 V CB 0.244 32.084 31.823 0.029 0.000 1.077 104 V HN 0.635 nan 8.190 nan 0.000 0.480 105 R N 2.932 123.445 120.500 0.022 0.000 2.193 105 R HA 0.059 4.399 4.340 0.001 0.000 0.213 105 R C 0.557 176.867 176.300 0.018 0.000 1.055 105 R CA 0.485 56.596 56.100 0.018 0.000 0.995 105 R CB 0.146 30.457 30.300 0.017 0.000 0.893 105 R HN 0.921 nan 8.270 nan 0.000 0.459 106 E N -0.403 119.811 120.200 0.022 0.000 2.390 106 E HA 0.394 4.744 4.350 0.001 0.000 0.280 106 E C -1.429 175.187 176.600 0.027 0.000 0.992 106 E CA -0.960 55.453 56.400 0.022 0.000 0.790 106 E CB 1.359 31.072 29.700 0.021 0.000 1.248 106 E HN -0.367 nan 8.360 nan 0.000 0.447 107 K N 1.781 122.196 120.400 0.024 0.000 2.258 107 K HA 0.332 4.653 4.320 0.001 0.000 0.264 107 K C -1.991 174.629 176.600 0.032 0.000 1.007 107 K CA -1.060 55.244 56.287 0.028 0.000 0.941 107 K CB 0.401 32.913 32.500 0.021 0.000 0.966 107 K HN 0.420 nan 8.250 nan 0.000 0.480 108 P HA 0.186 nan 4.420 nan 0.000 0.285 108 P C -1.170 176.154 177.300 0.040 0.000 1.285 108 P CA -0.679 62.449 63.100 0.047 0.000 0.854 108 P CB 0.773 32.511 31.700 0.064 0.000 1.180 109 N N 0.911 119.637 118.700 0.043 0.000 2.401 109 N HA 0.039 4.780 4.740 0.001 0.000 0.255 109 N C 1.215 176.745 175.510 0.034 0.000 1.110 109 N CA 0.026 53.096 53.050 0.034 0.000 0.949 109 N CB 0.346 38.854 38.487 0.034 0.000 1.110 109 N HN 0.255 nan 8.380 nan 0.000 0.490 110 R N 2.892 123.406 120.500 0.024 0.000 2.133 110 R HA -0.171 4.170 4.340 0.001 0.000 0.247 110 R C 1.734 178.043 176.300 0.016 0.000 1.151 110 R CA 1.457 57.569 56.100 0.020 0.000 0.971 110 R CB -0.204 30.101 30.300 0.008 0.000 0.866 110 R HN 0.547 nan 8.270 nan 0.000 0.447 111 L N 0.437 121.669 121.223 0.014 0.000 2.056 111 L HA -0.083 4.257 4.340 0.001 0.000 0.207 111 L C 1.065 177.943 176.870 0.014 0.000 1.078 111 L CA 0.836 55.682 54.840 0.009 0.000 0.749 111 L CB -0.412 41.653 42.059 0.009 0.000 0.901 111 L HN 0.148 nan 8.230 nan 0.000 0.433 112 E N 0.950 121.169 120.200 0.032 0.000 2.354 112 E HA 0.154 4.504 4.350 0.001 0.000 0.269 112 E C 0.288 176.925 176.600 0.062 0.000 1.036 112 E CA 0.200 56.631 56.400 0.052 0.000 0.876 112 E CB 1.063 30.807 29.700 0.073 0.000 1.009 112 E HN 0.164 nan 8.360 nan 0.000 0.416 113 G N 1.065 109.895 108.800 0.051 0.000 2.714 113 G HA2 -0.051 3.909 3.960 0.001 0.000 0.278 113 G HA3 -0.051 3.909 3.960 0.001 0.000 0.278 113 G C -0.222 174.749 174.900 0.118 0.000 1.288 113 G CA -0.286 44.798 45.100 -0.027 0.000 1.027 113 G HN 0.660 nan 8.290 nan 0.000 0.607 114 F N -1.079 118.890 119.950 0.032 0.000 3.074 114 F HA -0.184 4.343 4.527 0.001 0.000 0.287 114 F C 1.057 176.879 175.800 0.037 0.000 0.932 114 F CA 1.039 59.065 58.000 0.043 0.000 0.995 114 F CB -1.982 37.052 39.000 0.056 0.000 0.966 114 F HN 0.894 nan 8.300 nan 0.000 0.721 115 S N -2.475 113.294 115.700 0.115 0.000 2.611 115 S HA 0.452 4.922 4.470 0.001 0.000 0.268 115 S C -1.248 173.388 174.600 0.060 0.000 1.156 115 S CA -1.156 57.103 58.200 0.097 0.000 0.817 115 S CB 2.152 65.408 63.200 0.094 0.000 1.122 115 S HN 0.118 nan 8.310 nan 0.000 0.466 116 D N 2.095 122.541 120.400 0.077 0.000 2.371 116 D HA 0.296 4.937 4.640 0.001 0.000 0.256 116 D C -0.835 175.491 176.300 0.043 0.000 1.193 116 D CA -1.870 52.177 54.000 0.078 0.000 0.881 116 D CB 1.204 42.086 40.800 0.136 0.000 1.143 116 D HN 0.265 nan 8.370 nan 0.000 0.473 117 P HA -0.159 nan 4.420 nan 0.000 0.214 117 P C 1.260 178.563 177.300 0.005 0.000 1.162 117 P CA 1.240 64.343 63.100 0.005 0.000 0.879 117 P CB -0.024 31.671 31.700 -0.008 0.000 0.786 118 T N -1.222 113.335 114.554 0.005 0.000 2.760 118 T HA -0.090 4.261 4.350 0.001 0.000 0.269 118 T C 1.658 176.344 174.700 -0.024 0.000 1.047 118 T CA 2.272 64.366 62.100 -0.009 0.000 1.139 118 T CB -1.097 67.763 68.868 -0.013 0.000 0.855 118 T HN 0.478 nan 8.240 nan 0.000 0.471 119 G N 0.010 108.798 108.800 -0.020 0.000 2.213 119 G HA2 -0.328 3.633 3.960 0.001 0.000 0.236 119 G HA3 -0.328 3.633 3.960 0.001 0.000 0.236 119 G C 0.746 175.597 174.900 -0.082 0.000 0.991 119 G CA 0.827 45.909 45.100 -0.030 0.000 0.629 119 G HN 0.523 nan 8.290 nan 0.000 0.517 120 Q N -0.610 119.098 119.800 -0.153 0.000 2.014 120 Q HA -0.050 4.291 4.340 0.001 0.000 0.207 120 Q C 0.574 176.298 176.000 -0.459 0.000 0.993 120 Q CA 1.484 57.069 55.803 -0.363 0.000 0.850 120 Q CB -0.062 28.339 28.738 -0.561 0.000 0.916 120 Q HN 0.642 nan 8.270 nan 0.000 0.417 121 Y N 0.220 120.526 120.300 0.011 0.000 2.387 121 Y HA 0.396 4.946 4.550 0.001 0.000 0.330 121 Y C -1.957 173.950 175.900 0.011 0.000 1.133 121 Y CA -3.109 54.997 58.100 0.010 0.000 1.152 121 Y CB 0.788 39.254 38.460 0.010 0.000 1.215 121 Y HN 0.189 nan 8.280 nan 0.000 0.466 122 P HA 0.132 nan 4.420 nan 0.000 0.270 122 P C 0.207 177.581 177.300 0.124 0.000 1.223 122 P CA -0.236 62.969 63.100 0.175 0.000 0.785 122 P CB 0.893 32.651 31.700 0.096 0.000 0.923 123 R N 1.013 121.608 120.500 0.158 0.000 2.148 123 R HA 0.027 4.367 4.340 0.001 0.000 0.223 123 R C 0.676 176.996 176.300 0.034 0.000 1.088 123 R CA 1.176 57.317 56.100 0.069 0.000 0.985 123 R CB 0.078 30.445 30.300 0.112 0.000 0.880 123 R HN 0.560 nan 8.270 nan 0.000 0.451 124 R N -2.120 118.408 120.500 0.046 0.000 2.741 124 R HA 0.217 4.557 4.340 0.001 0.000 0.276 124 R C -0.929 175.389 176.300 0.030 0.000 1.028 124 R CA -0.925 55.191 56.100 0.027 0.000 0.865 124 R CB 0.576 30.888 30.300 0.019 0.000 1.268 124 R HN -0.124 nan 8.270 nan 0.000 0.475 125 L N 0.441 121.676 121.223 0.021 0.000 2.464 125 L HA 0.559 4.900 4.340 0.001 0.000 0.224 125 L C 0.979 177.859 176.870 0.018 0.000 1.219 125 L CA 0.701 55.553 54.840 0.020 0.000 0.831 125 L CB 0.027 42.094 42.059 0.015 0.000 1.284 125 L HN 1.063 nan 8.230 nan 0.000 0.522 126 G N 0.239 109.048 108.800 0.015 0.000 2.746 126 G HA2 -0.233 3.727 3.960 0.001 0.000 0.685 126 G HA3 -0.233 3.727 3.960 0.001 0.000 0.685 126 G C -0.576 174.332 174.900 0.013 0.000 1.350 126 G CA -0.567 44.539 45.100 0.011 0.000 0.837 126 G HN 0.798 nan 8.290 nan 0.000 0.564 127 N N 0.369 119.074 118.700 0.007 0.000 2.356 127 N HA -0.019 4.721 4.740 0.001 0.000 0.252 127 N C 1.002 176.522 175.510 0.017 0.000 1.241 127 N CA 0.614 53.669 53.050 0.008 0.000 0.861 127 N CB 0.598 39.083 38.487 -0.004 0.000 1.075 127 N HN 0.506 nan 8.380 nan 0.000 0.461 128 D N 0.592 121.005 120.400 0.021 0.000 2.123 128 D HA -0.103 4.537 4.640 0.001 0.000 0.200 128 D C 0.472 176.790 176.300 0.030 0.000 0.976 128 D CA 0.981 54.994 54.000 0.022 0.000 0.831 128 D CB -0.360 40.448 40.800 0.014 0.000 0.974 128 D HN 0.730 nan 8.370 nan 0.000 0.469 129 T N 0.580 115.159 114.554 0.042 0.000 2.908 129 T HA -0.075 4.275 4.350 0.001 0.000 0.301 129 T C 0.438 175.172 174.700 0.057 0.000 1.019 129 T CA -0.658 61.479 62.100 0.062 0.000 1.152 129 T CB 0.422 69.348 68.868 0.096 0.000 0.966 129 T HN -0.083 nan 8.240 nan 0.000 0.540 130 N N 2.417 121.153 118.700 0.059 0.000 2.353 130 N HA -0.084 4.657 4.740 0.001 0.000 0.248 130 N C 1.866 177.409 175.510 0.055 0.000 1.240 130 N CA 0.477 53.556 53.050 0.049 0.000 0.862 130 N CB 1.006 39.522 38.487 0.049 0.000 1.086 130 N HN 0.707 nan 8.380 nan 0.000 0.453 131 V N 3.152 123.082 119.914 0.026 0.000 2.282 131 V HA -0.254 3.866 4.120 0.001 0.000 0.249 131 V C 2.366 178.487 176.094 0.045 0.000 1.057 131 V CA 1.524 63.835 62.300 0.018 0.000 1.032 131 V CB -0.888 30.918 31.823 -0.029 0.000 0.645 131 V HN 0.623 nan 8.190 nan 0.000 0.447 132 L N 0.574 121.815 121.223 0.029 0.000 2.129 132 L HA -0.214 4.126 4.340 0.001 0.000 0.212 132 L C 2.621 179.632 176.870 0.234 0.000 1.087 132 L CA 2.428 57.342 54.840 0.124 0.000 0.757 132 L CB -0.910 41.214 42.059 0.109 0.000 0.896 132 L HN 0.499 nan 8.230 nan 0.000 0.434 133 N N -1.053 117.743 118.700 0.160 0.000 2.457 133 N HA -0.121 4.620 4.740 0.001 0.000 0.180 133 N C 1.723 177.386 175.510 0.256 0.000 1.050 133 N CA 0.256 53.410 53.050 0.173 0.000 0.906 133 N CB 0.184 38.761 38.487 0.150 0.000 0.968 133 N HN 0.465 nan 8.380 nan 0.000 0.445 134 Q N 0.099 120.026 119.800 0.212 0.000 2.187 134 Q HA 0.101 4.442 4.340 0.001 0.000 0.199 134 Q C 1.135 177.270 176.000 0.226 0.000 0.957 134 Q CA 0.613 56.528 55.803 0.187 0.000 0.857 134 Q CB 0.308 29.089 28.738 0.072 0.000 0.929 134 Q HN 0.323 nan 8.270 nan 0.000 0.453 135 G N -0.066 108.892 108.800 0.263 0.000 2.553 135 G HA2 -0.165 3.795 3.960 0.001 0.000 0.242 135 G HA3 -0.165 3.795 3.960 0.001 0.000 0.242 135 G C 0.415 175.467 174.900 0.253 0.000 1.277 135 G CA -0.440 44.847 45.100 0.311 0.000 0.910 135 G HN 0.817 nan 8.290 nan 0.000 0.576 136 G N -1.047 107.885 108.800 0.220 0.000 2.574 136 G HA2 -0.191 3.770 3.960 0.001 0.000 0.295 136 G HA3 -0.191 3.770 3.960 0.001 0.000 0.295 136 G C 0.898 175.900 174.900 0.171 0.000 1.300 136 G CA 1.445 46.639 45.100 0.156 0.000 0.944 136 G HN 1.589 nan 8.290 nan 0.000 0.551 137 E N -0.860 119.400 120.200 0.100 0.000 2.110 137 E HA -0.046 4.304 4.350 0.001 0.000 0.193 137 E C 2.761 179.424 176.600 0.105 0.000 0.988 137 E CA 1.270 57.727 56.400 0.095 0.000 0.804 137 E CB -0.160 29.564 29.700 0.041 0.000 0.745 137 E HN 0.332 nan 8.360 nan 0.000 0.458 138 V N 0.756 120.711 119.914 0.068 0.000 2.490 138 V HA -0.193 3.927 4.120 0.001 0.000 0.250 138 V C 2.240 178.329 176.094 -0.008 0.000 1.061 138 V CA 1.926 64.244 62.300 0.030 0.000 1.064 138 V CB -0.807 31.029 31.823 0.022 0.000 0.670 138 V HN 0.408 nan 8.190 nan 0.000 0.461 139 G N -1.535 107.281 108.800 0.025 0.000 2.394 139 G HA2 -0.293 3.667 3.960 0.001 0.000 0.214 139 G HA3 -0.293 3.667 3.960 0.001 0.000 0.214 139 G C 1.554 176.147 174.900 -0.510 0.000 1.176 139 G CA 0.820 45.825 45.100 -0.160 0.000 0.786 139 G HN 0.535 nan 8.290 nan 0.000 0.533 140 Y N 1.610 121.764 120.300 -0.243 0.000 2.274 140 Y HA -0.084 4.466 4.550 0.001 0.000 0.290 140 Y C 1.763 177.553 175.900 -0.183 0.000 1.145 140 Y CA 1.801 59.800 58.100 -0.170 0.000 1.203 140 Y CB 0.245 38.743 38.460 0.062 0.000 0.984 140 Y HN 0.174 nan 8.280 nan 0.000 0.533 141 D N -0.366 120.026 120.400 -0.014 0.000 2.340 141 D HA -0.012 4.628 4.640 0.001 0.000 0.220 141 D C 0.682 176.894 176.300 -0.147 0.000 1.039 141 D CA 0.408 54.376 54.000 -0.053 0.000 0.866 141 D CB -0.116 40.704 40.800 0.034 0.000 0.913 141 D HN 0.167 nan 8.370 nan 0.000 0.523 142 S N 0.246 115.805 115.700 -0.235 0.000 2.599 142 S HA -0.111 4.359 4.470 0.001 0.000 0.303 142 S C 1.674 176.157 174.600 -0.195 0.000 1.267 142 S CA 0.001 58.066 58.200 -0.226 0.000 1.055 142 S CB 1.082 64.083 63.200 -0.332 0.000 0.790 142 S HN 0.070 nan 8.310 nan 0.000 0.500 143 S N 3.220 118.838 115.700 -0.137 0.000 2.402 143 S HA -0.151 4.320 4.470 0.001 0.000 0.233 143 S C 2.135 176.649 174.600 -0.142 0.000 1.030 143 S CA 1.992 60.121 58.200 -0.118 0.000 1.003 143 S CB -0.803 62.347 63.200 -0.084 0.000 0.813 143 S HN 0.972 nan 8.310 nan 0.000 0.477 144 S N 2.142 117.746 115.700 -0.161 0.000 2.356 144 S HA -0.106 4.365 4.470 0.001 0.000 0.223 144 S C 1.769 176.241 174.600 -0.212 0.000 1.032 144 S CA 1.222 59.319 58.200 -0.172 0.000 1.005 144 S CB -0.801 62.305 63.200 -0.157 0.000 0.867 144 S HN 0.597 nan 8.310 nan 0.000 0.449 145 N N 1.833 120.382 118.700 -0.251 0.000 2.120 145 N HA -0.025 4.715 4.740 0.001 0.000 0.188 145 N C 1.927 177.294 175.510 -0.239 0.000 1.024 145 N CA 1.368 54.254 53.050 -0.273 0.000 0.852 145 N CB -0.920 37.336 38.487 -0.385 0.000 1.003 145 N HN 0.325 nan 8.380 nan 0.000 0.424 146 V N 2.656 122.443 119.914 -0.212 0.000 2.233 146 V HA -0.217 3.904 4.120 0.001 0.000 0.247 146 V C 2.458 178.467 176.094 -0.142 0.000 1.050 146 V CA 1.268 63.473 62.300 -0.158 0.000 1.010 146 V CB -0.465 31.285 31.823 -0.123 0.000 0.637 146 V HN 0.198 nan 8.190 nan 0.000 0.444 147 I N -0.132 120.353 120.570 -0.142 0.000 2.194 147 I HA -0.335 3.835 4.170 0.001 0.000 0.246 147 I C 2.553 178.571 176.117 -0.164 0.000 1.093 147 I CA 2.017 63.236 61.300 -0.135 0.000 1.355 147 I CB -1.215 36.708 38.000 -0.129 0.000 1.046 147 I HN 0.543 nan 8.210 nan 0.000 0.413 148 Q N 0.915 120.580 119.800 -0.225 0.000 1.975 148 Q HA -0.255 4.085 4.340 0.001 0.000 0.205 148 Q C 1.671 177.561 176.000 -0.183 0.000 0.990 148 Q CA 2.324 57.949 55.803 -0.296 0.000 0.845 148 Q CB -0.013 28.482 28.738 -0.405 0.000 0.913 148 Q HN 0.430 nan 8.270 nan 0.000 0.420 149 D N -0.032 120.277 120.400 -0.151 0.000 2.265 149 D HA -0.085 4.555 4.640 0.001 0.000 0.208 149 D C 1.442 177.699 176.300 -0.072 0.000 0.977 149 D CA 1.006 54.951 54.000 -0.093 0.000 0.871 149 D CB -0.090 40.653 40.800 -0.096 0.000 0.925 149 D HN 0.115 nan 8.370 nan 0.000 0.485 150 S N -0.246 115.401 115.700 -0.087 0.000 2.593 150 S HA 0.073 4.544 4.470 0.001 0.000 0.217 150 S C 0.709 175.268 174.600 -0.068 0.000 0.966 150 S CA -0.033 58.123 58.200 -0.073 0.000 0.914 150 S CB -0.006 63.145 63.200 -0.081 0.000 0.776 150 S HN 0.265 nan 8.310 nan 0.000 0.523 151 N N 0.213 118.875 118.700 -0.063 0.000 2.143 151 N HA 0.289 5.029 4.740 0.001 0.000 0.229 151 N C -0.640 174.860 175.510 -0.017 0.000 1.294 151 N CA -0.185 52.837 53.050 -0.047 0.000 0.883 151 N CB 0.355 38.808 38.487 -0.057 0.000 1.148 151 N HN 0.209 nan 8.380 nan 0.000 0.511 152 L N 0.927 122.145 121.223 -0.008 0.000 2.593 152 L HA -0.013 4.327 4.340 0.001 0.000 0.287 152 L C 0.439 177.316 176.870 0.012 0.000 1.243 152 L CA 0.868 55.723 54.840 0.025 0.000 0.890 152 L CB 0.234 42.308 42.059 0.025 0.000 1.134 152 L HN 0.225 nan 8.230 nan 0.000 0.502 153 D N 1.144 121.559 120.400 0.026 0.000 2.268 153 D HA 0.407 5.048 4.640 0.001 0.000 0.249 153 D C -0.685 175.589 176.300 -0.043 0.000 1.008 153 D CA -0.226 53.765 54.000 -0.015 0.000 0.939 153 D CB 1.959 42.755 40.800 -0.007 0.000 1.170 153 D HN 0.457 nan 8.370 nan 0.000 0.468 154 T N 0.730 115.216 114.554 -0.112 0.000 2.848 154 T HA 0.608 4.959 4.350 0.001 0.000 0.285 154 T C -0.464 174.057 174.700 -0.297 0.000 0.995 154 T CA -0.631 61.364 62.100 -0.175 0.000 0.970 154 T CB 1.615 70.412 68.868 -0.118 0.000 0.976 154 T HN 0.391 nan 8.240 nan 0.000 0.441 155 A N 3.523 126.021 122.820 -0.537 0.000 2.312 155 A HA 0.895 5.216 4.320 0.001 0.000 0.326 155 A C -0.060 177.283 177.584 -0.400 0.000 1.172 155 A CA -0.944 50.716 52.037 -0.629 0.000 0.821 155 A CB 0.383 18.540 19.000 -1.405 0.000 1.166 155 A HN 0.959 nan 8.150 nan 0.000 0.493 156 I N -0.305 120.120 120.570 -0.241 0.000 2.474 156 I HA 0.435 4.606 4.170 0.001 0.000 0.294 156 I C -0.293 175.774 176.117 -0.084 0.000 1.005 156 I CA -0.722 60.498 61.300 -0.133 0.000 1.113 156 I CB 1.943 39.897 38.000 -0.076 0.000 1.289 156 I HN 0.748 nan 8.210 nan 0.000 0.436 157 N N 7.773 126.441 118.700 -0.054 0.000 2.405 157 N HA 0.267 5.007 4.740 0.001 0.000 0.260 157 N C -2.107 173.384 175.510 -0.032 0.000 1.152 157 N CA -1.269 51.764 53.050 -0.028 0.000 0.948 157 N CB 0.721 39.198 38.487 -0.017 0.000 1.111 157 N HN 0.500 nan 8.380 nan 0.000 0.485 158 P HA -0.058 nan 4.420 nan 0.000 0.270 158 P C -1.048 176.206 177.300 -0.076 0.000 1.216 158 P CA 0.297 63.376 63.100 -0.036 0.000 0.788 158 P CB 0.605 32.294 31.700 -0.019 0.000 0.883 159 D N 0.392 120.732 120.400 -0.101 0.000 2.462 159 D HA 0.131 4.772 4.640 0.001 0.000 0.245 159 D C -0.126 175.997 176.300 -0.295 0.000 1.122 159 D CA -0.435 53.473 54.000 -0.153 0.000 0.864 159 D CB 0.172 40.912 40.800 -0.100 0.000 1.098 159 D HN 0.184 nan 8.370 nan 0.000 0.541 160 D N 2.457 122.579 120.400 -0.463 0.000 2.434 160 D HA 0.032 4.673 4.640 0.001 0.000 0.232 160 D C 0.104 175.985 176.300 -0.699 0.000 1.166 160 D CA -0.312 53.072 54.000 -1.026 0.000 0.830 160 D CB -0.151 39.949 40.800 -1.167 0.000 0.960 160 D HN 0.192 nan 8.370 nan 0.000 0.497 161 R N 1.541 121.843 120.500 -0.330 0.000 2.441 161 R HA 0.317 4.657 4.340 0.001 0.000 0.284 161 R C -2.160 174.101 176.300 -0.066 0.000 1.070 161 R CA -1.517 54.486 56.100 -0.160 0.000 1.047 161 R CB 0.293 30.525 30.300 -0.114 0.000 1.016 161 R HN 0.137 nan 8.270 nan 0.000 0.477 162 P HA -0.015 nan 4.420 nan 0.000 0.271 162 P C 0.726 178.023 177.300 -0.005 0.000 1.216 162 P CA 0.052 63.184 63.100 0.053 0.000 0.771 162 P CB 0.677 32.404 31.700 0.045 0.000 0.864 163 L N 1.892 123.111 121.223 -0.006 0.000 2.211 163 L HA -0.204 4.136 4.340 0.001 0.000 0.216 163 L C 1.548 178.371 176.870 -0.080 0.000 1.092 163 L CA 1.922 56.728 54.840 -0.058 0.000 0.767 163 L CB -1.009 41.010 42.059 -0.066 0.000 0.894 163 L HN 0.463 nan 8.230 nan 0.000 0.437 164 S N -0.875 114.792 115.700 -0.056 0.000 3.513 164 S HA 0.511 4.981 4.470 0.001 0.000 0.209 164 S C 0.554 175.120 174.600 -0.056 0.000 1.446 164 S CA 0.295 58.458 58.200 -0.062 0.000 1.150 164 S CB 0.482 63.657 63.200 -0.042 0.000 1.266 164 S HN 0.456 nan 8.310 nan 0.000 0.502 165 E N 0.441 120.599 120.200 -0.069 0.000 2.068 165 E HA 0.210 4.561 4.350 0.001 0.000 0.172 165 E C -0.045 176.511 176.600 -0.074 0.000 0.875 165 E CA -0.350 56.013 56.400 -0.061 0.000 1.299 165 E CB -0.994 28.678 29.700 -0.046 0.000 2.459 165 E HN 0.709 nan 8.360 nan 0.000 0.729 166 I N 3.953 124.468 120.570 -0.091 0.000 2.322 166 I HA 0.321 4.492 4.170 0.001 0.000 0.292 166 I C -1.918 174.129 176.117 -0.118 0.000 1.060 166 I CA -1.744 59.496 61.300 -0.100 0.000 1.309 166 I CB 1.197 39.132 38.000 -0.109 0.000 1.415 166 I HN 0.168 nan 8.210 nan 0.000 0.492 167 P HA 0.080 nan 4.420 nan 0.000 0.269 167 P C -0.331 176.899 177.300 -0.117 0.000 1.215 167 P CA -0.143 62.898 63.100 -0.099 0.000 0.780 167 P CB 0.741 32.398 31.700 -0.071 0.000 0.898 168 T N -1.850 112.628 114.554 -0.126 0.000 2.895 168 T HA 0.287 4.637 4.350 0.001 0.000 0.283 168 T C -0.389 174.261 174.700 -0.083 0.000 1.014 168 T CA -0.756 61.264 62.100 -0.134 0.000 1.037 168 T CB 1.208 69.968 68.868 -0.181 0.000 1.006 168 T HN 0.280 nan 8.240 nan 0.000 0.468 169 D N 1.288 121.650 120.400 -0.064 0.000 2.473 169 D HA 0.208 4.849 4.640 0.001 0.000 0.226 169 D C 0.415 176.692 176.300 -0.039 0.000 1.089 169 D CA -0.437 53.536 54.000 -0.045 0.000 0.883 169 D CB 0.850 41.628 40.800 -0.037 0.000 1.029 169 D HN 0.524 nan 8.370 nan 0.000 0.517 170 D N 1.917 122.294 120.400 -0.037 0.000 2.309 170 D HA -0.105 4.535 4.640 0.001 0.000 0.212 170 D C 0.283 176.562 176.300 -0.035 0.000 0.968 170 D CA 0.770 54.749 54.000 -0.034 0.000 0.882 170 D CB 0.297 41.079 40.800 -0.031 0.000 0.918 170 D HN 0.489 nan 8.370 nan 0.000 0.503 171 N N 0.082 118.765 118.700 -0.030 0.000 2.839 171 N HA 0.093 4.833 4.740 0.001 0.000 0.230 171 N C -3.177 172.321 175.510 -0.020 0.000 1.388 171 N CA -1.023 52.013 53.050 -0.024 0.000 0.747 171 N CB 1.091 39.567 38.487 -0.018 0.000 1.411 171 N HN -0.162 nan 8.380 nan 0.000 0.556 172 P HA 0.091 nan 4.420 nan 0.000 0.271 172 P C -0.340 176.953 177.300 -0.012 0.000 1.218 172 P CA -0.082 63.005 63.100 -0.022 0.000 0.780 172 P CB 1.223 32.902 31.700 -0.034 0.000 0.901 173 N N 2.246 120.942 118.700 -0.006 0.000 3.243 173 N HA 0.204 4.945 4.740 0.001 0.000 0.310 173 N C -0.205 175.310 175.510 0.008 0.000 1.313 173 N CA -0.190 52.862 53.050 0.003 0.000 1.204 173 N CB -0.343 38.147 38.487 0.006 0.000 1.483 173 N HN 0.389 nan 8.380 nan 0.000 0.553 174 M N 0.738 120.340 119.600 0.004 0.000 2.534 174 M HA 0.221 4.702 4.480 0.001 0.000 0.280 174 M C -1.472 174.835 176.300 0.012 0.000 1.217 174 M CA -0.606 54.700 55.300 0.010 0.000 0.893 174 M CB 2.001 34.601 32.600 0.000 0.000 1.730 174 M HN 0.103 nan 8.290 nan 0.000 0.483 175 S N 2.818 118.534 115.700 0.026 0.000 2.568 175 S HA 0.478 4.948 4.470 0.001 0.000 0.302 175 S C 0.704 175.329 174.600 0.041 0.000 1.082 175 S CA -0.900 57.320 58.200 0.034 0.000 1.009 175 S CB 1.636 64.860 63.200 0.041 0.000 1.069 175 S HN 0.837 nan 8.310 nan 0.000 0.500 176 M N 1.594 121.217 119.600 0.038 0.000 2.195 176 M HA -0.115 4.365 4.480 0.001 0.000 0.260 176 M C 2.335 178.680 176.300 0.075 0.000 1.066 176 M CA 1.969 57.289 55.300 0.033 0.000 1.089 176 M CB -2.207 30.402 32.600 0.015 0.000 1.377 176 M HN 0.976 nan 8.290 nan 0.000 0.411 177 A N 0.000 122.884 122.820 0.105 0.000 1.841 177 A HA -0.211 4.109 4.320 0.001 0.000 0.216 177 A C 2.151 179.852 177.584 0.196 0.000 1.199 177 A CA 2.042 54.236 52.037 0.262 0.000 0.621 177 A CB -0.940 18.180 19.000 0.200 0.000 0.835 177 A HN 0.497 nan 8.150 nan 0.000 0.445 178 E N -1.089 119.177 120.200 0.109 0.000 2.118 178 E HA -0.232 4.118 4.350 0.001 0.000 0.195 178 E C 2.024 178.667 176.600 0.072 0.000 0.992 178 E CA 1.572 58.014 56.400 0.070 0.000 0.804 178 E CB -0.194 29.540 29.700 0.058 0.000 0.741 178 E HN 0.689 nan 8.360 nan 0.000 0.458 179 M N 0.078 119.726 119.600 0.080 0.000 2.091 179 M HA -0.203 4.278 4.480 0.001 0.000 0.259 179 M C 1.771 178.135 176.300 0.108 0.000 1.076 179 M CA 1.382 56.750 55.300 0.112 0.000 1.111 179 M CB -0.100 32.530 32.600 0.051 0.000 1.291 179 M HN 0.130 nan 8.290 nan 0.000 0.417 180 L N 1.157 122.406 121.223 0.043 0.000 2.043 180 L HA -0.251 4.089 4.340 0.001 0.000 0.212 180 L C 3.208 180.019 176.870 -0.099 0.000 1.075 180 L CA 2.614 57.420 54.840 -0.057 0.000 0.752 180 L CB -2.465 39.447 42.059 -0.244 0.000 0.891 180 L HN 0.540 nan 8.230 nan 0.000 0.432 181 R N 0.141 120.558 120.500 -0.138 0.000 2.159 181 R HA -0.167 4.173 4.340 0.001 0.000 0.237 181 R C 2.424 178.663 176.300 -0.101 0.000 1.131 181 R CA 1.917 57.877 56.100 -0.233 0.000 0.982 181 R CB -1.657 28.528 30.300 -0.191 0.000 0.868 181 R HN 0.557 nan 8.270 nan 0.000 0.453 182 R N 0.736 121.224 120.500 -0.020 0.000 2.090 182 R HA 0.034 4.375 4.340 0.001 0.000 0.219 182 R C 1.957 178.256 176.300 -0.002 0.000 1.100 182 R CA 1.229 57.330 56.100 0.001 0.000 0.991 182 R CB -0.782 29.547 30.300 0.049 0.000 0.893 182 R HN 0.543 nan 8.270 nan 0.000 0.443 183 D N -0.244 120.180 120.400 0.040 0.000 2.363 183 D HA 0.020 4.660 4.640 0.001 0.000 0.220 183 D C 0.900 177.240 176.300 0.065 0.000 0.994 183 D CA 0.896 54.924 54.000 0.048 0.000 0.890 183 D CB 0.625 41.503 40.800 0.129 0.000 0.906 183 D HN 0.609 nan 8.370 nan 0.000 0.530 184 E N -0.755 119.474 120.200 0.047 0.000 2.508 184 E HA 0.311 4.662 4.350 0.001 0.000 0.217 184 E C 0.860 177.479 176.600 0.031 0.000 0.896 184 E CA 0.347 56.800 56.400 0.088 0.000 1.118 184 E CB 0.917 30.711 29.700 0.156 0.000 1.133 184 E HN 0.127 nan 8.360 nan 0.000 0.526 185 G N 0.840 109.621 108.800 -0.032 0.000 2.791 185 G HA2 -0.290 3.671 3.960 0.001 0.000 0.256 185 G HA3 -0.290 3.671 3.960 0.001 0.000 0.256 185 G C -0.693 174.171 174.900 -0.059 0.000 1.380 185 G CA 0.065 45.130 45.100 -0.057 0.000 0.904 185 G HN 0.262 nan 8.290 nan 0.000 0.563 186 L N -0.060 121.124 121.223 -0.064 0.000 2.362 186 L HA 0.894 5.235 4.340 0.001 0.000 0.275 186 L C -0.215 176.635 176.870 -0.033 0.000 0.998 186 L CA -0.821 53.991 54.840 -0.046 0.000 0.820 186 L CB 1.610 43.628 42.059 -0.069 0.000 1.270 186 L HN 0.692 nan 8.230 nan 0.000 0.415 187 R N 5.398 125.915 120.500 0.028 0.000 2.514 187 R HA 0.396 4.737 4.340 0.001 0.000 0.296 187 R C -0.811 175.531 176.300 0.070 0.000 1.012 187 R CA -0.658 55.465 56.100 0.038 0.000 0.897 187 R CB 1.752 32.094 30.300 0.069 0.000 1.184 187 R HN 0.543 nan 8.270 nan 0.000 0.440 188 L N 2.974 124.211 121.223 0.024 0.000 2.737 188 L HA 0.220 4.560 4.340 0.001 0.000 0.236 188 L C 0.164 177.043 176.870 0.015 0.000 1.219 188 L CA 0.534 55.383 54.840 0.014 0.000 1.021 188 L CB -0.734 41.318 42.059 -0.011 0.000 1.291 188 L HN 0.492 nan 8.230 nan 0.000 0.470 189 K N -2.547 117.878 120.400 0.042 0.000 2.583 189 K HA 0.334 4.654 4.320 0.001 0.000 0.260 189 K C -0.847 175.766 176.600 0.021 0.000 0.931 189 K CA -0.865 55.431 56.287 0.015 0.000 0.849 189 K CB 1.382 33.885 32.500 0.004 0.000 1.347 189 K HN -0.302 nan 8.250 nan 0.000 0.425 190 V N 2.642 122.502 119.914 -0.090 0.000 2.877 190 V HA -0.136 3.984 4.120 0.001 0.000 0.294 190 V C -0.256 175.679 176.094 -0.266 0.000 1.280 190 V CA 0.803 62.935 62.300 -0.280 0.000 1.372 190 V CB -1.517 30.073 31.823 -0.387 0.000 0.867 190 V HN 0.820 nan 8.190 nan 0.000 0.513 191 Y N 2.402 122.403 120.300 -0.498 0.000 2.655 191 Y HA 0.747 5.297 4.550 0.001 0.000 0.336 191 Y C -1.429 174.214 175.900 -0.429 0.000 1.154 191 Y CA -2.095 55.808 58.100 -0.328 0.000 1.055 191 Y CB 1.478 39.896 38.460 -0.071 0.000 1.295 191 Y HN 0.475 nan 8.280 nan 0.000 0.465 192 W N 3.735 125.209 121.300 0.290 0.000 2.424 192 W HA 0.236 4.896 4.660 0.001 0.000 0.318 192 W C -0.824 175.817 176.519 0.203 0.000 1.016 192 W CA -0.725 56.706 57.345 0.143 0.000 1.268 192 W CB 1.958 31.466 29.460 0.080 0.000 1.297 192 W HN 0.791 nan 8.180 nan 0.000 0.428 193 D N 0.277 120.869 120.400 0.319 0.000 2.352 193 D HA -0.072 4.568 4.640 0.001 0.000 0.238 193 D C 1.103 177.507 176.300 0.173 0.000 1.286 193 D CA 0.063 54.227 54.000 0.272 0.000 0.923 193 D CB 0.138 41.070 40.800 0.220 0.000 1.146 193 D HN 0.222 nan 8.370 nan 0.000 0.471 194 T N -3.306 111.317 114.554 0.115 0.000 4.096 194 T HA 0.160 4.510 4.350 0.001 0.000 0.241 194 T C 0.364 175.049 174.700 -0.026 0.000 0.869 194 T CA -0.091 62.035 62.100 0.044 0.000 0.909 194 T CB -0.699 68.185 68.868 0.027 0.000 1.260 194 T HN 0.578 nan 8.240 nan 0.000 0.692 195 E N -0.370 119.771 120.200 -0.100 0.000 2.665 195 E HA 0.343 4.694 4.350 0.001 0.000 0.165 195 E C 1.122 177.380 176.600 -0.569 0.000 0.895 195 E CA 0.321 56.500 56.400 -0.369 0.000 1.351 195 E CB 0.049 29.447 29.700 -0.503 0.000 1.058 195 E HN 0.504 nan 8.360 nan 0.000 0.514 196 G N 1.384 110.072 108.800 -0.186 0.000 2.249 196 G HA2 -0.302 3.659 3.960 0.001 0.000 0.273 196 G HA3 -0.302 3.659 3.960 0.001 0.000 0.273 196 G C -0.682 174.331 174.900 0.189 0.000 1.036 196 G CA 0.590 45.662 45.100 -0.047 0.000 0.824 196 G HN 0.160 nan 8.290 nan 0.000 0.504 197 Y N -0.529 119.953 120.300 0.304 0.000 2.342 197 Y HA 0.467 5.017 4.550 0.001 0.000 0.338 197 Y C -1.942 173.954 175.900 -0.007 0.000 0.965 197 Y CA -3.530 54.668 58.100 0.164 0.000 1.159 197 Y CB 1.525 40.002 38.460 0.029 0.000 1.157 197 Y HN -0.044 nan 8.280 nan 0.000 0.486 198 P HA -0.010 nan 4.420 nan 0.000 0.258 198 P C -0.386 176.637 177.300 -0.461 0.000 1.172 198 P CA 0.964 63.793 63.100 -0.452 0.000 0.762 198 P CB 0.494 32.081 31.700 -0.188 0.000 0.764 199 T N 3.503 117.617 114.554 -0.734 0.000 2.887 199 T HA 0.791 5.142 4.350 0.001 0.000 0.292 199 T C -0.277 173.967 174.700 -0.760 0.000 1.087 199 T CA -0.462 61.161 62.100 -0.794 0.000 1.009 199 T CB 1.466 69.626 68.868 -1.179 0.000 1.203 199 T HN 0.293 nan 8.240 nan 0.000 0.518 200 I N -1.552 118.766 120.570 -0.419 0.000 3.193 200 I HA 0.472 4.642 4.170 0.001 0.000 0.318 200 I C 0.801 176.987 176.117 0.115 0.000 1.420 200 I CA 0.186 61.440 61.300 -0.078 0.000 0.910 200 I CB 0.882 38.856 38.000 -0.043 0.000 1.277 200 I HN 0.883 nan 8.210 nan 0.000 0.516 201 G N 2.093 110.963 108.800 0.117 0.000 2.685 201 G HA2 -0.313 3.648 3.960 0.001 0.000 0.329 201 G HA3 -0.313 3.648 3.960 0.001 0.000 0.329 201 G C 0.136 175.105 174.900 0.114 0.000 1.271 201 G CA 0.796 45.956 45.100 0.100 0.000 1.003 201 G HN 0.722 nan 8.290 nan 0.000 0.549 202 I N 2.681 123.309 120.570 0.098 0.000 2.541 202 I HA 0.442 4.613 4.170 0.001 0.000 0.295 202 I C 1.448 177.691 176.117 0.209 0.000 1.137 202 I CA 0.633 61.943 61.300 0.017 0.000 1.256 202 I CB -0.124 37.653 38.000 -0.371 0.000 1.648 202 I HN 1.481 nan 8.210 nan 0.000 0.570 203 G N 2.457 111.418 108.800 0.268 0.000 2.221 203 G HA2 -0.337 3.623 3.960 0.001 0.000 0.265 203 G HA3 -0.337 3.623 3.960 0.001 0.000 0.265 203 G C 0.157 175.191 174.900 0.224 0.000 1.041 203 G CA 0.166 45.446 45.100 0.299 0.000 0.807 203 G HN 0.780 nan 8.290 nan 0.000 0.502 204 H N -0.190 118.933 119.070 0.088 0.000 2.846 204 H HA 0.529 5.085 4.556 0.001 0.000 0.278 204 H C 0.687 175.952 175.328 -0.104 0.000 1.117 204 H CA -0.941 55.111 56.048 0.006 0.000 1.406 204 H CB 0.512 30.305 29.762 0.051 0.000 1.445 204 H HN 0.391 nan 8.280 nan 0.000 0.469 205 L N 6.296 127.154 121.223 -0.609 0.000 2.559 205 L HA -0.035 4.306 4.340 0.001 0.000 0.274 205 L C 0.288 176.687 176.870 -0.786 0.000 1.205 205 L CA 0.404 54.908 54.840 -0.560 0.000 0.907 205 L CB -0.086 41.727 42.059 -0.409 0.000 1.153 205 L HN 0.809 nan 8.230 nan 0.000 0.490 206 I N 4.787 125.073 120.570 -0.473 0.000 2.277 206 I HA -0.056 4.115 4.170 0.001 0.000 0.243 206 I C 0.801 176.794 176.117 -0.207 0.000 1.094 206 I CA 1.169 62.296 61.300 -0.289 0.000 1.393 206 I CB -0.589 37.305 38.000 -0.176 0.000 1.078 206 I HN 0.750 nan 8.210 nan 0.000 0.417 207 M N -1.504 117.977 119.600 -0.199 0.000 2.307 207 M HA 0.383 4.863 4.480 0.001 0.000 0.279 207 M C -0.258 175.900 176.300 -0.237 0.000 1.080 207 M CA -0.806 54.395 55.300 -0.164 0.000 0.964 207 M CB 1.463 34.018 32.600 -0.075 0.000 1.825 207 M HN -0.173 nan 8.290 nan 0.000 0.489 208 K N 2.362 122.564 120.400 -0.331 0.000 2.652 208 K HA 0.318 4.639 4.320 0.001 0.000 0.239 208 K C -0.430 175.945 176.600 -0.376 0.000 1.235 208 K CA 0.366 56.291 56.287 -0.603 0.000 1.191 208 K CB -0.547 31.679 32.500 -0.456 0.000 1.348 208 K HN 0.703 nan 8.250 nan 0.000 0.239 209 Q N 0.093 119.841 119.800 -0.088 0.000 2.435 209 Q HA 0.293 4.634 4.340 0.001 0.000 0.282 209 Q C -2.659 173.613 176.000 0.453 0.000 1.020 209 Q CA -1.845 54.102 55.803 0.240 0.000 0.820 209 Q CB 2.569 31.372 28.738 0.108 0.000 1.436 209 Q HN 0.209 nan 8.270 nan 0.000 0.395 210 P HA 0.047 nan 4.420 nan 0.000 0.254 210 P C 0.122 177.510 177.300 0.147 0.000 1.631 210 P CA 0.028 63.237 63.100 0.182 0.000 0.861 210 P CB -0.187 31.537 31.700 0.040 0.000 1.663 211 V N 0.833 120.877 119.914 0.216 0.000 2.655 211 V HA 0.081 4.201 4.120 0.001 0.000 0.300 211 V C 1.828 178.086 176.094 0.274 0.000 1.044 211 V CA 0.416 62.828 62.300 0.187 0.000 1.095 211 V CB 0.663 32.590 31.823 0.173 0.000 0.952 211 V HN 0.094 nan 8.190 nan 0.000 0.485 212 R N 1.324 121.917 120.500 0.154 0.000 2.342 212 R HA 0.141 4.481 4.340 0.001 0.000 0.204 212 R C 0.838 177.275 176.300 0.229 0.000 0.882 212 R CA -0.008 56.174 56.100 0.136 0.000 1.041 212 R CB 0.066 30.265 30.300 -0.169 0.000 1.188 212 R HN 0.854 nan 8.270 nan 0.000 0.598 213 D N 1.286 121.771 120.400 0.143 0.000 2.402 213 D HA -0.096 4.544 4.640 0.001 0.000 0.268 213 D C 0.844 177.232 176.300 0.145 0.000 1.294 213 D CA 0.175 54.247 54.000 0.120 0.000 0.945 213 D CB 0.701 41.546 40.800 0.076 0.000 1.112 213 D HN 0.041 nan 8.370 nan 0.000 0.517 214 M N 3.609 123.302 119.600 0.155 0.000 2.202 214 M HA -0.164 4.316 4.480 0.001 0.000 0.262 214 M C 2.087 178.430 176.300 0.071 0.000 1.063 214 M CA 0.875 56.249 55.300 0.124 0.000 1.097 214 M CB -1.326 31.344 32.600 0.117 0.000 1.382 214 M HN 0.554 nan 8.290 nan 0.000 0.413 215 A N 0.202 123.059 122.820 0.062 0.000 1.873 215 A HA -0.257 4.064 4.320 0.001 0.000 0.218 215 A C 2.332 179.937 177.584 0.035 0.000 1.193 215 A CA 3.246 55.307 52.037 0.041 0.000 0.629 215 A CB -1.249 17.772 19.000 0.036 0.000 0.826 215 A HN 0.545 nan 8.150 nan 0.000 0.447 216 Q N -0.039 119.788 119.800 0.044 0.000 1.975 216 Q HA -0.137 4.203 4.340 0.001 0.000 0.205 216 Q C 2.134 178.154 176.000 0.033 0.000 0.990 216 Q CA 1.832 57.658 55.803 0.037 0.000 0.845 216 Q CB -1.197 27.569 28.738 0.046 0.000 0.913 216 Q HN 0.770 nan 8.270 nan 0.000 0.420 217 I N 1.238 121.836 120.570 0.046 0.000 2.147 217 I HA -0.406 3.765 4.170 0.001 0.000 0.245 217 I C 2.245 178.364 176.117 0.004 0.000 1.059 217 I CA 1.798 63.113 61.300 0.025 0.000 1.320 217 I CB -0.558 37.460 38.000 0.029 0.000 1.021 217 I HN 0.483 nan 8.210 nan 0.000 0.415 218 N N 0.975 119.680 118.700 0.008 0.000 2.289 218 N HA -0.169 4.571 4.740 0.001 0.000 0.184 218 N C 2.057 177.568 175.510 0.000 0.000 1.016 218 N CA 1.916 54.966 53.050 -0.001 0.000 0.872 218 N CB -0.243 38.245 38.487 0.002 0.000 0.973 218 N HN 0.514 nan 8.380 nan 0.000 0.433 219 K N 1.155 121.558 120.400 0.005 0.000 2.001 219 K HA 0.003 4.323 4.320 0.001 0.000 0.208 219 K C 2.289 178.891 176.600 0.002 0.000 1.048 219 K CA 1.317 57.606 56.287 0.004 0.000 0.932 219 K CB -1.191 31.313 32.500 0.007 0.000 0.715 219 K HN 0.031 nan 8.250 nan 0.000 0.437 220 V N 1.273 121.189 119.914 0.003 0.000 2.392 220 V HA -0.199 3.921 4.120 0.001 0.000 0.249 220 V C 3.048 179.146 176.094 0.007 0.000 1.059 220 V CA 2.083 64.385 62.300 0.003 0.000 1.051 220 V CB -0.870 30.952 31.823 -0.001 0.000 0.658 220 V HN 0.611 nan 8.190 nan 0.000 0.455 221 L N -1.455 119.771 121.223 0.005 0.000 2.217 221 L HA 0.003 4.343 4.340 0.001 0.000 0.211 221 L C 2.487 179.358 176.870 0.002 0.000 1.107 221 L CA 2.397 57.244 54.840 0.012 0.000 0.783 221 L CB -1.462 40.596 42.059 -0.002 0.000 0.919 221 L HN 0.428 nan 8.230 nan 0.000 0.442 222 S N -0.365 115.333 115.700 -0.003 0.000 2.383 222 S HA -0.054 4.416 4.470 0.001 0.000 0.227 222 S C 2.579 177.174 174.600 -0.007 0.000 1.026 222 S CA 1.517 59.713 58.200 -0.007 0.000 0.981 222 S CB -0.336 62.860 63.200 -0.007 0.000 0.818 222 S HN 0.882 nan 8.310 nan 0.000 0.472 223 K N 1.161 121.559 120.400 -0.003 0.000 2.362 223 K HA 0.036 4.357 4.320 0.001 0.000 0.200 223 K C 1.662 178.259 176.600 -0.005 0.000 1.046 223 K CA 1.014 57.298 56.287 -0.004 0.000 0.952 223 K CB -0.652 31.846 32.500 -0.002 0.000 0.753 223 K HN 0.583 nan 8.250 nan 0.000 0.466 224 Q N -0.745 119.053 119.800 -0.002 0.000 2.391 224 Q HA 0.109 4.449 4.340 0.001 0.000 0.211 224 Q C 1.441 177.419 176.000 -0.037 0.000 0.908 224 Q CA 0.876 56.674 55.803 -0.009 0.000 0.920 224 Q CB 0.722 29.475 28.738 0.025 0.000 1.056 224 Q HN 0.380 nan 8.270 nan 0.000 0.523 225 V N -0.690 119.206 119.914 -0.030 0.000 3.645 225 V HA 0.205 4.326 4.120 0.001 0.000 0.275 225 V C 1.092 177.171 176.094 -0.025 0.000 1.356 225 V CA 0.667 62.946 62.300 -0.035 0.000 1.051 225 V CB 0.604 32.407 31.823 -0.033 0.000 0.828 225 V HN 0.461 nan 8.190 nan 0.000 0.441 226 G N 1.625 110.413 108.800 -0.019 0.000 2.221 226 G HA2 -0.296 3.664 3.960 0.001 0.000 0.265 226 G HA3 -0.296 3.664 3.960 0.001 0.000 0.265 226 G C 0.176 175.068 174.900 -0.014 0.000 1.041 226 G CA 0.870 45.961 45.100 -0.015 0.000 0.807 226 G HN 0.578 nan 8.290 nan 0.000 0.502 227 R N -0.542 119.949 120.500 -0.015 0.000 2.707 227 R HA 0.452 4.793 4.340 0.001 0.000 0.272 227 R C -1.015 175.277 176.300 -0.014 0.000 1.011 227 R CA -0.820 55.271 56.100 -0.014 0.000 0.893 227 R CB 1.153 31.444 30.300 -0.016 0.000 1.233 227 R HN 0.214 nan 8.270 nan 0.000 0.464 228 E N 3.067 123.258 120.200 -0.014 0.000 2.259 228 E HA 0.214 4.564 4.350 0.001 0.000 0.281 228 E C -0.640 175.950 176.600 -0.017 0.000 1.037 228 E CA -0.181 56.211 56.400 -0.014 0.000 0.854 228 E CB 0.734 30.426 29.700 -0.013 0.000 1.051 228 E HN 0.325 nan 8.360 nan 0.000 0.409 229 I N 4.012 124.573 120.570 -0.015 0.000 2.377 229 I HA 0.238 4.408 4.170 0.001 0.000 0.293 229 I C 0.609 176.716 176.117 -0.018 0.000 0.987 229 I CA -0.334 60.955 61.300 -0.018 0.000 1.185 229 I CB 1.725 39.715 38.000 -0.017 0.000 1.341 229 I HN 0.572 nan 8.210 nan 0.000 0.455 230 T N 1.570 116.109 114.554 -0.024 0.000 2.598 230 T HA 0.804 5.154 4.350 0.001 0.000 0.254 230 T C 0.289 174.975 174.700 -0.024 0.000 0.889 230 T CA -0.547 61.538 62.100 -0.025 0.000 1.091 230 T CB 0.922 69.767 68.868 -0.038 0.000 1.437 230 T HN 1.045 nan 8.240 nan 0.000 0.542 231 G N 1.109 109.891 108.800 -0.030 0.000 2.978 231 G HA2 -0.231 3.730 3.960 0.001 0.000 0.686 231 G HA3 -0.231 3.730 3.960 0.001 0.000 0.686 231 G C 0.458 175.361 174.900 0.006 0.000 1.288 231 G CA 0.169 45.256 45.100 -0.021 0.000 1.026 231 G HN 1.003 nan 8.290 nan 0.000 0.587 232 N N 2.064 120.780 118.700 0.026 0.000 2.002 232 N HA -0.095 4.646 4.740 0.001 0.000 0.199 232 N C -1.285 174.256 175.510 0.052 0.000 1.060 232 N CA 2.020 55.101 53.050 0.052 0.000 0.867 232 N CB -0.917 37.614 38.487 0.073 0.000 1.069 232 N HN 0.461 nan 8.380 nan 0.000 0.430 233 P HA 0.119 nan 4.420 nan 0.000 0.269 233 P C -0.500 176.797 177.300 -0.005 0.000 1.252 233 P CA 0.035 63.152 63.100 0.028 0.000 0.780 233 P CB 0.455 32.174 31.700 0.033 0.000 0.829 234 G N 3.259 112.044 108.800 -0.025 0.000 2.414 234 G HA2 0.351 4.312 3.960 0.001 0.000 0.236 234 G HA3 0.351 4.312 3.960 0.001 0.000 0.236 234 G C -0.312 174.569 174.900 -0.032 0.000 1.293 234 G CA -0.131 44.951 45.100 -0.030 0.000 0.869 234 G HN 0.496 nan 8.290 nan 0.000 0.556 235 S N 1.128 116.813 115.700 -0.025 0.000 2.538 235 S HA 0.731 5.202 4.470 0.001 0.000 0.288 235 S C -0.231 174.358 174.600 -0.019 0.000 1.108 235 S CA -0.881 57.307 58.200 -0.020 0.000 0.971 235 S CB 1.784 64.973 63.200 -0.019 0.000 1.041 235 S HN 1.013 nan 8.310 nan 0.000 0.483 236 I N -0.954 119.607 120.570 -0.014 0.000 2.957 236 I HA 0.712 4.883 4.170 0.001 0.000 0.310 236 I C -0.259 175.851 176.117 -0.012 0.000 1.063 236 I CA -0.912 60.380 61.300 -0.014 0.000 1.033 236 I CB 1.818 39.811 38.000 -0.012 0.000 1.230 236 I HN 0.494 nan 8.210 nan 0.000 0.447 237 T N 1.996 116.543 114.554 -0.013 0.000 2.770 237 T HA 0.236 4.586 4.350 0.001 0.000 0.281 237 T C 1.179 175.873 174.700 -0.010 0.000 0.981 237 T CA -0.631 61.462 62.100 -0.012 0.000 0.955 237 T CB 0.760 69.621 68.868 -0.011 0.000 1.060 237 T HN 0.525 nan 8.240 nan 0.000 0.531 238 M N 0.475 120.068 119.600 -0.011 0.000 2.064 238 M HA -0.029 4.451 4.480 0.001 0.000 0.260 238 M C 2.234 178.535 176.300 0.001 0.000 1.073 238 M CA 1.761 57.056 55.300 -0.009 0.000 1.124 238 M CB -1.482 31.109 32.600 -0.014 0.000 1.326 238 M HN 0.580 nan 8.290 nan 0.000 0.410 239 E N 0.517 120.718 120.200 0.002 0.000 2.058 239 E HA -0.191 4.160 4.350 0.001 0.000 0.194 239 E C 1.849 178.455 176.600 0.009 0.000 0.997 239 E CA 1.432 57.837 56.400 0.008 0.000 0.801 239 E CB -0.371 29.331 29.700 0.003 0.000 0.746 239 E HN 0.563 nan 8.360 nan 0.000 0.450 240 E N 0.058 120.258 120.200 -0.001 0.000 2.265 240 E HA -0.153 4.197 4.350 0.001 0.000 0.196 240 E C 1.879 178.474 176.600 -0.007 0.000 0.996 240 E CA 0.887 57.281 56.400 -0.010 0.000 0.832 240 E CB -0.109 29.581 29.700 -0.017 0.000 0.756 240 E HN 0.292 nan 8.360 nan 0.000 0.491 241 A N 0.915 123.740 122.820 0.009 0.000 1.935 241 A HA -0.055 4.265 4.320 0.001 0.000 0.214 241 A C 2.347 179.980 177.584 0.082 0.000 1.178 241 A CA 1.129 53.182 52.037 0.027 0.000 0.640 241 A CB -0.449 18.560 19.000 0.016 0.000 0.825 241 A HN 0.103 nan 8.150 nan 0.000 0.447 242 T N 0.584 115.187 114.554 0.081 0.000 2.708 242 T HA -0.161 4.189 4.350 0.001 0.000 0.266 242 T C 2.250 177.040 174.700 0.151 0.000 1.037 242 T CA 2.323 64.512 62.100 0.147 0.000 1.146 242 T CB -0.718 68.208 68.868 0.096 0.000 0.865 242 T HN 0.814 nan 8.240 nan 0.000 0.435 243 T N 1.927 116.521 114.554 0.068 0.000 2.569 243 T HA -0.091 4.259 4.350 0.001 0.000 0.263 243 T C 1.998 176.711 174.700 0.021 0.000 1.074 243 T CA 1.109 63.226 62.100 0.028 0.000 1.176 243 T CB -1.080 67.786 68.868 -0.002 0.000 0.863 243 T HN 0.241 nan 8.240 nan 0.000 0.410 244 L N -0.220 120.993 121.223 -0.016 0.000 2.085 244 L HA -0.127 4.214 4.340 0.001 0.000 0.218 244 L C 2.566 179.460 176.870 0.040 0.000 1.080 244 L CA 2.153 56.932 54.840 -0.101 0.000 0.776 244 L CB -0.704 41.209 42.059 -0.243 0.000 0.891 244 L HN 0.250 nan 8.230 nan 0.000 0.437 245 F N 0.900 120.848 119.950 -0.005 0.000 2.031 245 F HA -0.226 4.301 4.527 0.001 0.000 0.295 245 F C 2.447 178.300 175.800 0.087 0.000 1.133 245 F CA 1.893 59.947 58.000 0.090 0.000 1.188 245 F CB -0.619 38.426 39.000 0.074 0.000 0.974 245 F HN 0.085 nan 8.300 nan 0.000 0.473 246 E N -0.014 120.091 120.200 -0.159 0.000 2.086 246 E HA -0.374 3.976 4.350 0.001 0.000 0.205 246 E C 2.442 178.928 176.600 -0.190 0.000 1.027 246 E CA 2.123 58.370 56.400 -0.256 0.000 0.830 246 E CB -0.559 29.090 29.700 -0.084 0.000 0.751 246 E HN 0.473 nan 8.360 nan 0.000 0.456 247 R N 1.845 122.291 120.500 -0.089 0.000 2.127 247 R HA -0.233 4.107 4.340 0.001 0.000 0.228 247 R C 1.953 178.231 176.300 -0.038 0.000 1.125 247 R CA 2.210 58.275 56.100 -0.058 0.000 0.904 247 R CB -1.852 28.422 30.300 -0.042 0.000 0.831 247 R HN 0.236 nan 8.270 nan 0.000 0.431 248 D N 0.421 120.832 120.400 0.019 0.000 2.191 248 D HA -0.194 4.447 4.640 0.001 0.000 0.190 248 D C 2.034 178.402 176.300 0.114 0.000 1.007 248 D CA 1.980 56.035 54.000 0.092 0.000 0.865 248 D CB -0.194 40.745 40.800 0.231 0.000 0.929 248 D HN 0.261 nan 8.370 nan 0.000 0.447 249 L N 1.407 122.644 121.223 0.024 0.000 1.944 249 L HA -0.198 4.143 4.340 0.001 0.000 0.218 249 L C 2.386 179.230 176.870 -0.044 0.000 1.075 249 L CA 2.487 57.286 54.840 -0.069 0.000 0.767 249 L CB -1.280 40.474 42.059 -0.509 0.000 0.890 249 L HN 0.007 nan 8.230 nan 0.000 0.434 250 A N -0.958 121.805 122.820 -0.096 0.000 1.948 250 A HA -0.313 4.007 4.320 0.001 0.000 0.220 250 A C 2.008 179.560 177.584 -0.052 0.000 1.177 250 A CA 2.162 54.154 52.037 -0.075 0.000 0.636 250 A CB -1.213 17.742 19.000 -0.075 0.000 0.815 250 A HN 0.638 nan 8.150 nan 0.000 0.449 251 D N -1.221 119.159 120.400 -0.033 0.000 2.133 251 D HA -0.187 4.454 4.640 0.001 0.000 0.195 251 D C 1.900 178.183 176.300 -0.028 0.000 0.997 251 D CA 1.718 55.701 54.000 -0.028 0.000 0.840 251 D CB -0.158 40.632 40.800 -0.018 0.000 0.947 251 D HN 0.490 nan 8.370 nan 0.000 0.452 252 M N -0.106 119.495 119.600 0.002 0.000 2.216 252 M HA -0.114 4.366 4.480 0.001 0.000 0.264 252 M C 1.760 178.025 176.300 -0.057 0.000 1.080 252 M CA 1.173 56.474 55.300 0.002 0.000 1.153 252 M CB -0.073 32.586 32.600 0.099 0.000 1.356 252 M HN -0.040 nan 8.290 nan 0.000 0.432 253 Q N 0.317 120.079 119.800 -0.064 0.000 2.173 253 Q HA -0.258 4.083 4.340 0.001 0.000 0.208 253 Q C 2.296 178.164 176.000 -0.219 0.000 0.989 253 Q CA 2.798 58.513 55.803 -0.147 0.000 0.872 253 Q CB -0.604 28.068 28.738 -0.109 0.000 0.909 253 Q HN 0.693 nan 8.270 nan 0.000 0.420 254 R N 1.210 121.622 120.500 -0.146 0.000 2.056 254 R HA -0.143 4.198 4.340 0.001 0.000 0.227 254 R C 1.756 177.973 176.300 -0.139 0.000 1.149 254 R CA 1.822 57.838 56.100 -0.140 0.000 0.937 254 R CB -1.536 28.709 30.300 -0.091 0.000 0.835 254 R HN 0.251 nan 8.270 nan 0.000 0.430 255 D N 0.600 120.944 120.400 -0.094 0.000 2.190 255 D HA -0.119 4.521 4.640 0.001 0.000 0.200 255 D C 2.045 178.307 176.300 -0.063 0.000 0.992 255 D CA 2.026 55.994 54.000 -0.054 0.000 0.854 255 D CB -0.565 40.222 40.800 -0.022 0.000 0.936 255 D HN 0.545 nan 8.370 nan 0.000 0.462 256 I N 0.933 121.409 120.570 -0.157 0.000 2.086 256 I HA -0.026 4.144 4.170 0.001 0.000 0.233 256 I C 1.981 177.932 176.117 -0.276 0.000 1.060 256 I CA 2.006 63.172 61.300 -0.223 0.000 1.326 256 I CB -1.787 35.988 38.000 -0.376 0.000 1.067 256 I HN 0.189 nan 8.210 nan 0.000 0.398 257 K N 0.941 121.032 120.400 -0.515 0.000 2.086 257 K HA 0.434 4.754 4.320 0.001 0.000 0.215 257 K C 0.779 177.264 176.600 -0.191 0.000 1.207 257 K CA 0.806 56.831 56.287 -0.436 0.000 1.206 257 K CB -0.650 31.470 32.500 -0.634 0.000 1.253 257 K HN 1.794 nan 8.250 nan 0.000 0.234 258 S N -0.860 114.786 115.700 -0.091 0.000 4.435 258 S HA -0.089 4.382 4.470 0.001 0.000 0.064 258 S C -0.394 174.193 174.600 -0.021 0.000 0.851 258 S CA -0.183 57.986 58.200 -0.053 0.000 1.082 258 S CB -1.000 62.157 63.200 -0.072 0.000 0.589 258 S HN 0.899 nan 8.310 nan 0.000 0.782 259 H N 3.062 122.092 119.070 -0.066 0.000 2.800 259 H HA 0.413 4.969 4.556 0.001 0.000 0.291 259 H C 1.709 177.021 175.328 -0.026 0.000 1.076 259 H CA 1.089 57.109 56.048 -0.046 0.000 1.452 259 H CB 1.619 31.352 29.762 -0.047 0.000 1.461 259 H HN 0.484 nan 8.280 nan 0.000 0.488 260 S N 4.032 119.572 115.700 -0.268 0.000 2.389 260 S HA -0.285 4.185 4.470 0.001 0.000 0.231 260 S C 1.883 176.508 174.600 0.041 0.000 1.052 260 S CA 1.779 59.906 58.200 -0.122 0.000 1.053 260 S CB -0.018 63.064 63.200 -0.195 0.000 0.886 260 S HN 0.690 nan 8.310 nan 0.000 0.456 261 K N 0.061 120.604 120.400 0.238 0.000 2.166 261 K HA 0.183 4.503 4.320 0.001 0.000 0.201 261 K C 1.854 178.572 176.600 0.197 0.000 1.052 261 K CA 0.968 57.413 56.287 0.263 0.000 0.969 261 K CB 0.083 32.774 32.500 0.319 0.000 0.761 261 K HN 0.347 nan 8.250 nan 0.000 0.459 262 V N -0.406 119.662 119.914 0.256 0.000 2.795 262 V HA 0.040 4.160 4.120 0.001 0.000 0.243 262 V C 2.161 178.330 176.094 0.125 0.000 1.069 262 V CA 1.326 63.669 62.300 0.072 0.000 1.089 262 V CB -0.012 31.754 31.823 -0.095 0.000 0.756 262 V HN 0.474 nan 8.190 nan 0.000 0.471 263 G N 1.469 110.358 108.800 0.149 0.000 2.596 263 G HA2 -0.256 3.704 3.960 0.001 0.000 0.223 263 G HA3 -0.256 3.704 3.960 0.001 0.000 0.223 263 G C -0.285 174.712 174.900 0.161 0.000 1.120 263 G CA 1.476 46.655 45.100 0.133 0.000 0.752 263 G HN 0.480 nan 8.290 nan 0.000 0.596 264 P HA -0.061 nan 4.420 nan 0.000 0.211 264 P C 2.185 179.536 177.300 0.084 0.000 1.179 264 P CA 1.381 64.531 63.100 0.083 0.000 0.910 264 P CB -0.287 31.444 31.700 0.051 0.000 0.785 265 V N -1.839 118.114 119.914 0.065 0.000 2.568 265 V HA -0.222 3.899 4.120 0.001 0.000 0.253 265 V C 2.138 178.261 176.094 0.048 0.000 1.072 265 V CA 1.436 63.748 62.300 0.019 0.000 1.084 265 V CB -1.527 30.288 31.823 -0.013 0.000 0.676 265 V HN 0.201 nan 8.190 nan 0.000 0.469 266 W N 1.281 122.560 121.300 -0.035 0.000 2.379 266 W HA -0.191 4.469 4.660 0.001 0.000 0.307 266 W C 2.753 179.263 176.519 -0.015 0.000 1.200 266 W CA 2.736 60.066 57.345 -0.025 0.000 1.297 266 W CB -0.418 29.034 29.460 -0.013 0.000 1.140 266 W HN 0.287 nan 8.180 nan 0.000 0.507 267 Q N -0.094 119.815 119.800 0.181 0.000 2.172 267 Q HA 0.055 4.396 4.340 0.001 0.000 0.200 267 Q C 2.022 177.977 176.000 -0.076 0.000 0.964 267 Q CA 2.008 57.835 55.803 0.040 0.000 0.855 267 Q CB -1.398 27.446 28.738 0.176 0.000 0.918 267 Q HN 0.438 nan 8.270 nan 0.000 0.444 268 A N 0.427 123.219 122.820 -0.047 0.000 2.067 268 A HA 0.329 4.650 4.320 0.001 0.000 0.219 268 A C 1.552 179.087 177.584 -0.082 0.000 1.158 268 A CA 1.160 53.165 52.037 -0.053 0.000 0.661 268 A CB -0.740 18.237 19.000 -0.038 0.000 0.801 268 A HN 1.030 nan 8.150 nan 0.000 0.452 269 V N -3.574 116.251 119.914 -0.148 0.000 3.109 269 V HA 0.680 4.801 4.120 0.001 0.000 0.317 269 V C 0.320 176.340 176.094 -0.124 0.000 1.074 269 V CA -0.747 61.477 62.300 -0.127 0.000 1.033 269 V CB 0.128 31.835 31.823 -0.193 0.000 1.111 269 V HN 0.568 nan 8.190 nan 0.000 0.458 270 N N 0.242 118.949 118.700 0.011 0.000 2.381 270 N HA 0.438 5.178 4.740 0.001 0.000 0.241 270 N C 1.461 176.903 175.510 -0.113 0.000 1.279 270 N CA 0.681 53.724 53.050 -0.012 0.000 0.896 270 N CB -0.005 38.532 38.487 0.084 0.000 1.118 270 N HN 1.415 nan 8.380 nan 0.000 0.438 271 R N 0.173 120.604 120.500 -0.115 0.000 2.096 271 R HA -0.130 4.210 4.340 0.001 0.000 0.240 271 R C 2.738 178.978 176.300 -0.100 0.000 1.139 271 R CA 2.471 58.489 56.100 -0.137 0.000 0.952 271 R CB -1.718 28.534 30.300 -0.081 0.000 0.854 271 R HN 0.730 nan 8.270 nan 0.000 0.436 272 S N -0.446 115.224 115.700 -0.051 0.000 2.338 272 S HA -0.071 4.400 4.470 0.001 0.000 0.218 272 S C 2.734 177.330 174.600 -0.007 0.000 1.032 272 S CA 1.868 60.049 58.200 -0.031 0.000 0.999 272 S CB -0.515 62.677 63.200 -0.014 0.000 0.905 272 S HN 0.861 nan 8.310 nan 0.000 0.439 273 R N 0.955 121.488 120.500 0.055 0.000 2.185 273 R HA -0.136 4.205 4.340 0.001 0.000 0.247 273 R C 2.362 178.639 176.300 -0.038 0.000 1.159 273 R CA 2.322 58.473 56.100 0.085 0.000 0.988 273 R CB -2.118 28.294 30.300 0.187 0.000 0.871 273 R HN 0.690 nan 8.270 nan 0.000 0.458 274 Q N 0.214 119.932 119.800 -0.136 0.000 1.965 274 Q HA 0.029 4.370 4.340 0.001 0.000 0.200 274 Q C 2.495 178.494 176.000 -0.002 0.000 0.981 274 Q CA 1.938 57.588 55.803 -0.255 0.000 0.834 274 Q CB -0.527 27.863 28.738 -0.580 0.000 0.900 274 Q HN 0.785 nan 8.270 nan 0.000 0.426 275 M N 0.568 120.181 119.600 0.021 0.000 2.108 275 M HA -0.199 4.281 4.480 0.001 0.000 0.257 275 M C 2.657 179.001 176.300 0.074 0.000 1.071 275 M CA 1.817 57.159 55.300 0.070 0.000 1.093 275 M CB -0.506 32.092 32.600 -0.003 0.000 1.345 275 M HN 0.588 nan 8.290 nan 0.000 0.403 276 A N 0.271 123.121 122.820 0.049 0.000 1.927 276 A HA -0.190 4.130 4.320 0.001 0.000 0.220 276 A C 2.146 179.786 177.584 0.093 0.000 1.185 276 A CA 1.762 53.852 52.037 0.088 0.000 0.639 276 A CB -0.942 18.118 19.000 0.100 0.000 0.820 276 A HN 0.498 nan 8.150 nan 0.000 0.451 277 L N -1.113 120.158 121.223 0.081 0.000 2.095 277 L HA -0.137 4.203 4.340 0.001 0.000 0.204 277 L C 2.662 179.602 176.870 0.117 0.000 1.080 277 L CA 1.268 56.154 54.840 0.076 0.000 0.759 277 L CB -0.476 41.646 42.059 0.106 0.000 0.914 277 L HN 0.480 nan 8.230 nan 0.000 0.439 278 E N 0.074 120.389 120.200 0.192 0.000 2.012 278 E HA -0.299 4.052 4.350 0.001 0.000 0.197 278 E C 1.744 178.445 176.600 0.169 0.000 1.007 278 E CA 1.750 58.259 56.400 0.182 0.000 0.816 278 E CB -0.325 29.503 29.700 0.214 0.000 0.762 278 E HN 0.413 nan 8.360 nan 0.000 0.451 279 N N 0.653 119.455 118.700 0.170 0.000 2.103 279 N HA -0.254 4.487 4.740 0.001 0.000 0.200 279 N C 1.886 177.546 175.510 0.249 0.000 1.016 279 N CA 2.345 55.527 53.050 0.219 0.000 0.890 279 N CB -0.125 38.498 38.487 0.227 0.000 1.075 279 N HN 0.084 nan 8.380 nan 0.000 0.506 280 M N -0.535 119.155 119.600 0.150 0.000 2.195 280 M HA -0.214 4.266 4.480 0.001 0.000 0.260 280 M C 2.144 178.450 176.300 0.010 0.000 1.066 280 M CA 1.592 56.898 55.300 0.010 0.000 1.089 280 M CB -0.414 32.027 32.600 -0.265 0.000 1.377 280 M HN 0.405 nan 8.290 nan 0.000 0.411 281 A N 0.151 123.002 122.820 0.053 0.000 1.840 281 A HA -0.167 4.154 4.320 0.001 0.000 0.214 281 A C 1.942 179.583 177.584 0.095 0.000 1.198 281 A CA 1.142 53.200 52.037 0.035 0.000 0.608 281 A CB -1.070 17.950 19.000 0.034 0.000 0.839 281 A HN 0.510 nan 8.150 nan 0.000 0.443 282 F N 0.620 120.596 119.950 0.044 0.000 2.307 282 F HA -0.213 4.314 4.527 0.001 0.000 0.301 282 F C 2.319 178.177 175.800 0.096 0.000 1.076 282 F CA 2.156 60.201 58.000 0.075 0.000 1.383 282 F CB 0.027 39.099 39.000 0.120 0.000 1.055 282 F HN 0.447 nan 8.300 nan 0.000 0.526 283 Q N 0.108 120.043 119.800 0.225 0.000 2.200 283 Q HA -0.057 4.283 4.340 0.001 0.000 0.197 283 Q C 1.879 177.927 176.000 0.081 0.000 0.953 283 Q CA 1.348 57.265 55.803 0.189 0.000 0.851 283 Q CB 0.025 28.968 28.738 0.342 0.000 0.938 283 Q HN 0.596 nan 8.270 nan 0.000 0.488 284 M N -2.122 117.504 119.600 0.043 0.000 2.306 284 M HA 0.450 4.930 4.480 0.001 0.000 0.292 284 M C 0.242 176.513 176.300 -0.048 0.000 1.018 284 M CA 0.381 55.684 55.300 0.004 0.000 1.007 284 M CB 1.612 34.211 32.600 -0.003 0.000 1.510 284 M HN 0.113 nan 8.290 nan 0.000 0.537 285 G N 0.712 109.475 108.800 -0.062 0.000 2.721 285 G HA2 -0.066 3.894 3.960 0.001 0.000 0.686 285 G HA3 -0.066 3.894 3.960 0.001 0.000 0.686 285 G C 0.348 175.193 174.900 -0.092 0.000 1.236 285 G CA -0.303 44.752 45.100 -0.074 0.000 0.786 285 G HN 0.755 nan 8.290 nan 0.000 0.616 286 V N 1.272 121.131 119.914 -0.093 0.000 2.380 286 V HA 0.093 4.214 4.120 0.001 0.000 0.251 286 V C 2.953 178.898 176.094 -0.249 0.000 1.063 286 V CA 3.614 65.814 62.300 -0.166 0.000 1.055 286 V CB -0.732 31.033 31.823 -0.097 0.000 0.657 286 V HN 2.217 nan 8.190 nan 0.000 0.455 287 G N -0.588 108.142 108.800 -0.116 0.000 2.511 287 G HA2 0.123 4.084 3.960 0.001 0.000 0.217 287 G HA3 0.123 4.084 3.960 0.001 0.000 0.217 287 G C 1.434 176.280 174.900 -0.090 0.000 1.133 287 G CA 1.124 46.181 45.100 -0.073 0.000 0.792 287 G HN 0.838 nan 8.290 nan 0.000 0.539 288 G N 0.335 109.076 108.800 -0.098 0.000 2.394 288 G HA2 -0.105 3.855 3.960 0.001 0.000 0.215 288 G HA3 -0.105 3.855 3.960 0.001 0.000 0.215 288 G C 1.763 176.581 174.900 -0.136 0.000 1.165 288 G CA 1.151 46.196 45.100 -0.092 0.000 0.784 288 G HN 0.393 nan 8.290 nan 0.000 0.535 289 V N 1.321 121.126 119.914 -0.182 0.000 2.379 289 V HA 0.226 4.346 4.120 0.001 0.000 0.245 289 V C 2.669 178.654 176.094 -0.183 0.000 1.044 289 V CA 1.973 64.144 62.300 -0.214 0.000 1.036 289 V CB -0.554 31.140 31.823 -0.216 0.000 0.664 289 V HN 0.362 nan 8.190 nan 0.000 0.453 290 A N -0.548 122.146 122.820 -0.211 0.000 2.176 290 A HA 0.278 4.598 4.320 0.001 0.000 0.214 290 A C 1.757 179.291 177.584 -0.082 0.000 1.327 290 A CA 1.330 53.264 52.037 -0.171 0.000 1.015 290 A CB -1.049 17.787 19.000 -0.273 0.000 0.818 290 A HN 0.786 nan 8.150 nan 0.000 0.500 291 K N -2.119 118.232 120.400 -0.081 0.000 2.412 291 K HA 0.446 4.766 4.320 0.001 0.000 0.202 291 K C 0.750 177.325 176.600 -0.042 0.000 1.102 291 K CA 0.618 56.878 56.287 -0.045 0.000 1.027 291 K CB -0.753 31.726 32.500 -0.036 0.000 0.931 291 K HN 0.965 nan 8.250 nan 0.000 0.557 292 F N 2.939 122.850 119.950 -0.066 0.000 2.669 292 F HA 0.281 4.808 4.527 0.001 0.000 0.353 292 F C 0.956 176.728 175.800 -0.046 0.000 1.192 292 F CA -0.762 57.204 58.000 -0.057 0.000 1.317 292 F CB -2.076 36.868 39.000 -0.092 0.000 1.652 292 F HN 0.515 nan 8.300 nan 0.000 0.608 293 N N 0.471 119.153 118.700 -0.030 0.000 2.029 293 N HA -0.303 4.438 4.740 0.001 0.000 0.176 293 N C 1.960 177.454 175.510 -0.027 0.000 0.930 293 N CA 2.653 55.689 53.050 -0.023 0.000 0.884 293 N CB -0.675 37.805 38.487 -0.012 0.000 1.015 293 N HN 0.519 nan 8.380 nan 0.000 0.848 294 T N 1.123 115.665 114.554 -0.019 0.000 2.731 294 T HA -0.333 4.018 4.350 0.001 0.000 0.263 294 T C 1.777 176.460 174.700 -0.028 0.000 1.033 294 T CA 1.917 64.007 62.100 -0.017 0.000 1.160 294 T CB -0.388 68.476 68.868 -0.007 0.000 0.849 294 T HN 0.295 nan 8.240 nan 0.000 0.469 295 M N 0.252 119.830 119.600 -0.036 0.000 2.067 295 M HA -0.097 4.384 4.480 0.001 0.000 0.260 295 M C 1.900 178.154 176.300 -0.075 0.000 1.069 295 M CA 1.669 56.939 55.300 -0.050 0.000 1.117 295 M CB -0.227 32.339 32.600 -0.057 0.000 1.334 295 M HN 0.159 nan 8.290 nan 0.000 0.407 296 L N -0.289 120.889 121.223 -0.075 0.000 2.046 296 L HA -0.173 4.167 4.340 0.001 0.000 0.208 296 L C 2.406 179.228 176.870 -0.080 0.000 1.077 296 L CA 1.862 56.652 54.840 -0.083 0.000 0.747 296 L CB -2.352 39.669 42.059 -0.063 0.000 0.896 296 L HN 0.378 nan 8.230 nan 0.000 0.432 297 T N 0.758 115.277 114.554 -0.057 0.000 2.555 297 T HA -0.212 4.138 4.350 0.001 0.000 0.264 297 T C 2.008 176.670 174.700 -0.063 0.000 1.083 297 T CA 1.832 63.904 62.100 -0.047 0.000 1.179 297 T CB -0.413 68.437 68.868 -0.030 0.000 0.863 297 T HN 0.424 nan 8.240 nan 0.000 0.412 298 A N 1.171 123.956 122.820 -0.059 0.000 1.986 298 A HA -0.147 4.174 4.320 0.001 0.000 0.220 298 A C 2.383 179.887 177.584 -0.135 0.000 1.171 298 A CA 1.824 53.822 52.037 -0.064 0.000 0.640 298 A CB -0.801 18.178 19.000 -0.034 0.000 0.811 298 A HN 0.495 nan 8.150 nan 0.000 0.451 299 M N -1.018 118.475 119.600 -0.178 0.000 2.067 299 M HA -0.170 4.310 4.480 0.001 0.000 0.260 299 M C 2.741 178.852 176.300 -0.315 0.000 1.069 299 M CA 1.870 56.977 55.300 -0.322 0.000 1.117 299 M CB -0.836 31.597 32.600 -0.279 0.000 1.334 299 M HN 0.502 nan 8.290 nan 0.000 0.407 300 L N -0.130 120.982 121.223 -0.184 0.000 1.971 300 L HA -0.053 4.287 4.340 0.001 0.000 0.215 300 L C 2.388 179.190 176.870 -0.113 0.000 1.072 300 L CA 2.396 57.157 54.840 -0.131 0.000 0.758 300 L CB -2.399 39.616 42.059 -0.074 0.000 0.889 300 L HN 0.488 nan 8.230 nan 0.000 0.433 301 A N -0.194 122.574 122.820 -0.087 0.000 2.207 301 A HA 0.375 4.696 4.320 0.001 0.000 0.205 301 A C 2.092 179.654 177.584 -0.037 0.000 1.310 301 A CA 1.022 53.032 52.037 -0.045 0.000 0.926 301 A CB -1.905 17.079 19.000 -0.026 0.000 0.778 301 A HN 2.391 nan 8.150 nan 0.000 0.497 302 G N -0.019 108.719 108.800 -0.103 0.000 2.380 302 G HA2 -0.314 3.646 3.960 0.001 0.000 0.298 302 G HA3 -0.314 3.646 3.960 0.001 0.000 0.298 302 G C 0.167 175.129 174.900 0.104 0.000 0.989 302 G CA 0.751 45.825 45.100 -0.044 0.000 0.836 302 G HN 0.693 nan 8.290 nan 0.000 0.511 303 D N -0.437 119.959 120.400 -0.007 0.000 2.557 303 D HA 0.337 4.977 4.640 0.001 0.000 0.236 303 D C 1.185 177.559 176.300 0.123 0.000 1.154 303 D CA -1.206 52.865 54.000 0.119 0.000 0.985 303 D CB -0.401 40.434 40.800 0.058 0.000 1.010 303 D HN 0.327 nan 8.370 nan 0.000 0.516 304 W N 1.675 122.986 121.300 0.018 0.000 2.560 304 W HA -0.000 4.660 4.660 0.001 0.000 0.252 304 W C 2.054 178.606 176.519 0.054 0.000 1.242 304 W CA 0.917 58.281 57.345 0.033 0.000 1.242 304 W CB -0.964 28.502 29.460 0.010 0.000 1.136 304 W HN 0.458 nan 8.180 nan 0.000 0.625 305 E N 1.153 121.498 120.200 0.242 0.000 2.012 305 E HA -0.112 4.239 4.350 0.001 0.000 0.192 305 E C 2.169 178.879 176.600 0.183 0.000 0.977 305 E CA 2.092 58.594 56.400 0.170 0.000 0.832 305 E CB -1.207 28.558 29.700 0.109 0.000 0.790 305 E HN 0.196 nan 8.360 nan 0.000 0.466 306 K N 0.555 121.027 120.400 0.120 0.000 2.173 306 K HA 0.079 4.399 4.320 0.001 0.000 0.207 306 K C 2.611 179.258 176.600 0.079 0.000 1.046 306 K CA 2.383 58.721 56.287 0.085 0.000 0.929 306 K CB -1.354 31.176 32.500 0.050 0.000 0.720 306 K HN 0.882 nan 8.250 nan 0.000 0.453 307 A N -0.354 122.514 122.820 0.081 0.000 1.858 307 A HA -0.035 4.285 4.320 0.001 0.000 0.216 307 A C 2.281 179.927 177.584 0.103 0.000 1.190 307 A CA 1.860 53.925 52.037 0.048 0.000 0.617 307 A CB -0.752 18.239 19.000 -0.014 0.000 0.827 307 A HN 0.787 nan 8.150 nan 0.000 0.443 308 Y N 1.008 121.336 120.300 0.046 0.000 2.097 308 Y HA -0.224 4.327 4.550 0.001 0.000 0.282 308 Y C 2.733 178.636 175.900 0.006 0.000 1.152 308 Y CA 3.467 61.599 58.100 0.053 0.000 1.136 308 Y CB -0.632 37.878 38.460 0.084 0.000 0.975 308 Y HN 0.336 nan 8.280 nan 0.000 0.498 309 K N 0.685 121.164 120.400 0.132 0.000 2.020 309 K HA -0.118 4.202 4.320 0.001 0.000 0.212 309 K C 2.360 178.906 176.600 -0.091 0.000 1.050 309 K CA 2.015 58.295 56.287 -0.013 0.000 0.929 309 K CB -1.866 30.684 32.500 0.083 0.000 0.714 309 K HN 0.663 nan 8.250 nan 0.000 0.443 310 A N 0.830 123.635 122.820 -0.024 0.000 1.908 310 A HA 0.100 4.420 4.320 0.001 0.000 0.218 310 A C 2.794 180.361 177.584 -0.028 0.000 1.181 310 A CA 2.008 54.033 52.037 -0.021 0.000 0.627 310 A CB -1.200 17.798 19.000 -0.004 0.000 0.818 310 A HN 0.796 nan 8.150 nan 0.000 0.445 311 G N -1.479 107.297 108.800 -0.040 0.000 2.559 311 G HA2 -0.115 3.846 3.960 0.001 0.000 0.216 311 G HA3 -0.115 3.846 3.960 0.001 0.000 0.216 311 G C 1.634 176.550 174.900 0.027 0.000 1.126 311 G CA 0.662 45.777 45.100 0.026 0.000 0.778 311 G HN 0.549 nan 8.290 nan 0.000 0.543 312 R N -0.609 119.745 120.500 -0.244 0.000 2.225 312 R HA 0.055 4.395 4.340 0.001 0.000 0.194 312 R C 0.816 176.976 176.300 -0.233 0.000 0.957 312 R CA 0.177 55.932 56.100 -0.575 0.000 1.042 312 R CB 0.176 29.873 30.300 -1.006 0.000 1.004 312 R HN 0.129 nan 8.270 nan 0.000 0.509 313 D N 2.119 122.462 120.400 -0.095 0.000 2.494 313 D HA -0.025 4.615 4.640 0.001 0.000 0.249 313 D C -0.623 175.720 176.300 0.071 0.000 1.223 313 D CA 0.079 54.079 54.000 -0.001 0.000 0.865 313 D CB -0.026 40.771 40.800 -0.006 0.000 0.974 313 D HN 0.090 nan 8.370 nan 0.000 0.491 314 S N -1.275 114.513 115.700 0.146 0.000 2.536 314 S HA 0.279 4.749 4.470 0.001 0.000 0.298 314 S C 1.054 175.797 174.600 0.239 0.000 1.083 314 S CA -0.882 57.441 58.200 0.205 0.000 0.995 314 S CB 1.920 65.288 63.200 0.280 0.000 1.058 314 S HN 0.043 nan 8.310 nan 0.000 0.488 315 L N 1.573 122.908 121.223 0.187 0.000 2.051 315 L HA -0.046 4.295 4.340 0.001 0.000 0.214 315 L C 2.079 179.066 176.870 0.195 0.000 1.076 315 L CA 2.273 57.205 54.840 0.153 0.000 0.758 315 L CB -0.607 41.529 42.059 0.129 0.000 0.890 315 L HN 0.964 nan 8.230 nan 0.000 0.433 316 W N -0.675 120.670 121.300 0.074 0.000 2.302 316 W HA -0.369 4.292 4.660 0.001 0.000 0.320 316 W C 2.513 179.091 176.519 0.098 0.000 1.241 316 W CA 2.458 59.852 57.345 0.081 0.000 1.264 316 W CB -1.025 28.487 29.460 0.086 0.000 1.154 316 W HN 0.382 nan 8.180 nan 0.000 0.483 317 Y N 1.106 121.345 120.300 -0.102 0.000 2.070 317 Y HA -0.388 4.162 4.550 0.001 0.000 0.279 317 Y C 3.057 178.805 175.900 -0.253 0.000 1.134 317 Y CA 3.050 60.925 58.100 -0.376 0.000 1.113 317 Y CB -1.213 37.168 38.460 -0.133 0.000 0.981 317 Y HN 0.216 nan 8.280 nan 0.000 0.487 318 Q N 0.297 120.062 119.800 -0.059 0.000 2.142 318 Q HA -0.386 3.955 4.340 0.001 0.000 0.213 318 Q C 2.024 177.896 176.000 -0.214 0.000 1.004 318 Q CA 3.000 58.730 55.803 -0.122 0.000 0.883 318 Q CB -0.364 28.377 28.738 0.005 0.000 0.939 318 Q HN 0.806 nan 8.270 nan 0.000 0.413 319 Q N -2.146 117.552 119.800 -0.169 0.000 2.402 319 Q HA 0.055 4.395 4.340 0.001 0.000 0.206 319 Q C 1.204 177.066 176.000 -0.231 0.000 0.919 319 Q CA 1.165 56.875 55.803 -0.155 0.000 0.923 319 Q CB 0.358 29.061 28.738 -0.059 0.000 1.048 319 Q HN 0.171 nan 8.270 nan 0.000 0.515 320 T N 1.440 115.753 114.554 -0.402 0.000 3.057 320 T HA 0.032 4.382 4.350 0.001 0.000 0.254 320 T C -0.367 174.061 174.700 -0.454 0.000 1.094 320 T CA 0.122 61.956 62.100 -0.444 0.000 1.088 320 T CB -0.059 68.349 68.868 -0.767 0.000 0.934 320 T HN 0.459 nan 8.240 nan 0.000 0.497 321 K N 1.525 121.566 120.400 -0.599 0.000 2.596 321 K HA -0.159 4.161 4.320 0.001 0.000 0.300 321 K C 1.173 177.551 176.600 -0.370 0.000 1.132 321 K CA 0.525 56.452 56.287 -0.601 0.000 1.094 321 K CB -1.078 31.157 32.500 -0.442 0.000 0.956 321 K HN 0.338 nan 8.250 nan 0.000 0.430 322 G N 2.904 111.522 108.800 -0.305 0.000 3.079 322 G HA2 -0.419 3.542 3.960 0.001 0.000 0.214 322 G HA3 -0.419 3.542 3.960 0.001 0.000 0.214 322 G C 1.005 175.823 174.900 -0.137 0.000 1.335 322 G CA 0.442 45.440 45.100 -0.171 0.000 0.822 322 G HN 0.699 nan 8.290 nan 0.000 0.545 323 R N 1.440 121.847 120.500 -0.155 0.000 2.093 323 R HA 0.362 4.703 4.340 0.001 0.000 0.224 323 R C 3.009 179.299 176.300 -0.016 0.000 1.101 323 R CA 1.945 57.995 56.100 -0.083 0.000 0.979 323 R CB -0.372 29.906 30.300 -0.036 0.000 0.877 323 R HN 0.686 nan 8.270 nan 0.000 0.441 324 A N 0.252 122.945 122.820 -0.211 0.000 1.855 324 A HA -0.104 4.216 4.320 0.001 0.000 0.215 324 A C 2.154 179.804 177.584 0.110 0.000 1.191 324 A CA 1.746 53.602 52.037 -0.302 0.000 0.613 324 A CB -0.695 17.693 19.000 -1.020 0.000 0.829 324 A HN 0.371 nan 8.150 nan 0.000 0.442 325 S N -0.825 114.966 115.700 0.152 0.000 2.420 325 S HA -0.183 4.287 4.470 0.001 0.000 0.237 325 S C 2.001 176.736 174.600 0.225 0.000 1.023 325 S CA 1.530 59.903 58.200 0.289 0.000 0.991 325 S CB -0.306 63.026 63.200 0.220 0.000 0.792 325 S HN 0.559 nan 8.310 nan 0.000 0.488 326 R N 0.250 120.855 120.500 0.176 0.000 2.193 326 R HA -0.010 4.331 4.340 0.001 0.000 0.213 326 R C 2.276 178.843 176.300 0.446 0.000 1.055 326 R CA 1.145 57.393 56.100 0.247 0.000 0.995 326 R CB -0.045 30.273 30.300 0.030 0.000 0.893 326 R HN 0.497 nan 8.270 nan 0.000 0.459 327 V N -2.158 118.006 119.914 0.416 0.000 2.492 327 V HA -0.060 4.061 4.120 0.001 0.000 0.241 327 V C 2.131 178.441 176.094 0.360 0.000 1.041 327 V CA 1.499 64.045 62.300 0.411 0.000 1.057 327 V CB -0.603 31.505 31.823 0.475 0.000 0.711 327 V HN 0.278 nan 8.190 nan 0.000 0.468 328 T N -1.556 113.222 114.554 0.373 0.000 2.822 328 T HA -0.289 4.061 4.350 0.001 0.000 0.270 328 T C 1.865 176.842 174.700 0.461 0.000 1.064 328 T CA 2.235 64.522 62.100 0.312 0.000 1.131 328 T CB -0.750 68.136 68.868 0.030 0.000 0.858 328 T HN 0.411 nan 8.240 nan 0.000 0.483 329 M N 1.187 121.039 119.600 0.419 0.000 2.159 329 M HA 0.154 4.634 4.480 0.001 0.000 0.263 329 M C 1.910 178.375 176.300 0.276 0.000 1.063 329 M CA 1.131 56.657 55.300 0.377 0.000 1.110 329 M CB -0.670 32.103 32.600 0.288 0.000 1.374 329 M HN 0.357 nan 8.290 nan 0.000 0.411 330 I N -0.325 120.404 120.570 0.263 0.000 2.193 330 I HA -0.217 3.953 4.170 0.001 0.000 0.240 330 I C 2.088 178.376 176.117 0.286 0.000 1.084 330 I CA 1.237 62.660 61.300 0.205 0.000 1.365 330 I CB -0.673 37.410 38.000 0.140 0.000 1.064 330 I HN 0.375 nan 8.210 nan 0.000 0.410 331 I N -0.320 120.428 120.570 0.297 0.000 3.164 331 I HA -0.190 3.981 4.170 0.001 0.000 0.278 331 I C 1.835 178.257 176.117 0.508 0.000 1.320 331 I CA 1.438 62.924 61.300 0.310 0.000 1.422 331 I CB -0.162 37.941 38.000 0.172 0.000 1.066 331 I HN 0.210 nan 8.210 nan 0.000 0.503 332 L N 0.122 121.618 121.223 0.455 0.000 2.433 332 L HA 0.158 4.498 4.340 0.001 0.000 0.200 332 L C 2.345 179.299 176.870 0.141 0.000 1.059 332 L CA 1.480 56.527 54.840 0.346 0.000 0.835 332 L CB -0.463 41.637 42.059 0.069 0.000 1.076 332 L HN 0.390 nan 8.230 nan 0.000 0.481 333 T N -3.536 111.048 114.554 0.050 0.000 3.031 333 T HA 0.283 4.633 4.350 0.001 0.000 0.254 333 T C 1.469 176.025 174.700 -0.239 0.000 1.060 333 T CA 0.575 62.601 62.100 -0.123 0.000 1.135 333 T CB -0.024 68.806 68.868 -0.065 0.000 0.896 333 T HN 0.752 nan 8.240 nan 0.000 0.472 334 G N 2.147 110.900 108.800 -0.079 0.000 2.130 334 G HA2 -0.174 3.787 3.960 0.001 0.000 0.216 334 G HA3 -0.174 3.787 3.960 0.001 0.000 0.216 334 G C -0.223 174.649 174.900 -0.048 0.000 0.999 334 G CA 0.068 45.114 45.100 -0.090 0.000 0.686 334 G HN 1.112 nan 8.290 nan 0.000 0.515 335 N N -1.752 116.937 118.700 -0.018 0.000 2.647 335 N HA 0.646 5.386 4.740 0.001 0.000 0.266 335 N C -0.643 174.861 175.510 -0.010 0.000 1.373 335 N CA -1.379 51.657 53.050 -0.023 0.000 0.807 335 N CB 1.234 39.699 38.487 -0.037 0.000 1.513 335 N HN 0.010 nan 8.380 nan 0.000 0.505 336 L N 1.178 122.384 121.223 -0.027 0.000 3.084 336 L HA 0.305 4.646 4.340 0.001 0.000 0.238 336 L C 1.008 177.896 176.870 0.029 0.000 1.327 336 L CA 0.207 55.017 54.840 -0.051 0.000 1.094 336 L CB -0.408 41.580 42.059 -0.117 0.000 1.477 336 L HN 0.669 nan 8.230 nan 0.000 0.514 337 E N -1.347 118.887 120.200 0.056 0.000 2.318 337 E HA -0.029 4.321 4.350 0.001 0.000 0.193 337 E C 1.671 178.348 176.600 0.129 0.000 0.998 337 E CA 0.510 56.952 56.400 0.069 0.000 0.859 337 E CB 0.351 30.069 29.700 0.029 0.000 0.812 337 E HN 0.465 nan 8.360 nan 0.000 0.492 338 S N 0.576 116.399 115.700 0.206 0.000 2.419 338 S HA -0.149 4.322 4.470 0.001 0.000 0.235 338 S C 1.217 176.005 174.600 0.314 0.000 1.019 338 S CA 1.075 59.437 58.200 0.270 0.000 0.982 338 S CB -0.238 63.200 63.200 0.397 0.000 0.789 338 S HN 0.404 nan 8.310 nan 0.000 0.490 339 Y N 0.734 121.045 120.300 0.018 0.000 2.571 339 Y HA 0.362 4.912 4.550 0.001 0.000 0.275 339 Y C 1.535 177.431 175.900 -0.007 0.000 1.179 339 Y CA -0.391 57.714 58.100 0.008 0.000 1.242 339 Y CB 0.109 38.582 38.460 0.021 0.000 1.126 339 Y HN 0.322 nan 8.280 nan 0.000 0.524 340 G N 0.981 109.858 108.800 0.128 0.000 2.246 340 G HA2 -0.263 3.698 3.960 0.001 0.000 0.273 340 G HA3 -0.263 3.698 3.960 0.001 0.000 0.273 340 G C -0.403 174.530 174.900 0.056 0.000 1.055 340 G CA 0.191 45.325 45.100 0.057 0.000 0.851 340 G HN 0.182 nan 8.290 nan 0.000 0.500 341 V N 0.840 120.793 119.914 0.064 0.000 2.240 341 V HA 0.255 4.376 4.120 0.001 0.000 0.265 341 V C 0.842 176.946 176.094 0.018 0.000 1.073 341 V CA -0.826 61.496 62.300 0.038 0.000 0.857 341 V CB 0.808 32.651 31.823 0.032 0.000 1.114 341 V HN 0.502 nan 8.190 nan 0.000 0.469 342 E N 1.733 121.939 120.200 0.011 0.000 2.568 342 E HA 0.002 4.353 4.350 0.001 0.000 0.262 342 E C 0.060 176.656 176.600 -0.006 0.000 0.961 342 E CA 0.061 56.461 56.400 -0.001 0.000 0.945 342 E CB 1.390 31.088 29.700 -0.003 0.000 0.924 342 E HN 0.466 nan 8.360 nan 0.000 0.467 343 V N 3.239 123.145 119.914 -0.015 0.000 2.479 343 V HA 0.164 4.284 4.120 0.001 0.000 0.281 343 V C 0.161 176.244 176.094 -0.019 0.000 1.031 343 V CA 0.188 62.475 62.300 -0.020 0.000 1.038 343 V CB 0.053 31.858 31.823 -0.031 0.000 0.981 343 V HN 0.709 nan 8.190 nan 0.000 0.478 344 K N 3.842 124.232 120.400 -0.016 0.000 2.366 344 K HA 0.432 4.752 4.320 0.001 0.000 0.279 344 K C 0.250 176.841 176.600 -0.016 0.000 1.098 344 K CA 0.755 57.034 56.287 -0.013 0.000 1.087 344 K CB 0.108 32.602 32.500 -0.010 0.000 0.901 344 K HN 1.413 nan 8.250 nan 0.000 0.463 345 T N 3.419 117.964 114.554 -0.015 0.000 4.021 345 T HA 0.289 4.639 4.350 0.001 0.000 0.284 345 T C -2.203 172.487 174.700 -0.016 0.000 0.667 345 T CA -0.227 61.863 62.100 -0.017 0.000 0.909 345 T CB 0.469 69.324 68.868 -0.022 0.000 1.279 345 T HN 0.399 nan 8.240 nan 0.000 0.467 346 P HA -0.023 nan 4.420 nan 0.000 0.219 346 P C 1.398 178.689 177.300 -0.015 0.000 1.151 346 P CA 2.048 65.141 63.100 -0.012 0.000 0.850 346 P CB -0.098 31.596 31.700 -0.010 0.000 0.784 347 A N -1.777 121.033 122.820 -0.017 0.000 5.585 347 A HA -0.323 3.997 4.320 0.001 0.000 0.295 347 A C 1.982 179.556 177.584 -0.017 0.000 1.985 347 A CA 2.822 54.847 52.037 -0.020 0.000 0.716 347 A CB -1.929 17.057 19.000 -0.024 0.000 1.237 347 A HN 0.289 nan 8.150 nan 0.000 0.371 348 R N -1.231 119.258 120.500 -0.019 0.000 2.240 348 R HA 0.472 4.813 4.340 0.001 0.000 0.203 348 R C 3.076 179.367 176.300 -0.015 0.000 1.011 348 R CA 2.142 58.232 56.100 -0.017 0.000 1.007 348 R CB -2.018 28.271 30.300 -0.019 0.000 0.911 348 R HN 2.451 nan 8.270 nan 0.000 0.468 349 S N 0.514 116.204 115.700 -0.015 0.000 2.374 349 S HA 0.196 4.667 4.470 0.001 0.000 0.227 349 S C 1.797 176.391 174.600 -0.010 0.000 1.037 349 S CA 1.959 60.151 58.200 -0.013 0.000 1.024 349 S CB -0.525 62.667 63.200 -0.013 0.000 0.861 349 S HN 1.252 nan 8.310 nan 0.000 0.456 350 L N 1.096 122.313 121.223 -0.010 0.000 2.923 350 L HA 0.839 5.179 4.340 0.001 0.000 0.231 350 L C 1.713 178.578 176.870 -0.008 0.000 1.300 350 L CA 0.481 55.316 54.840 -0.008 0.000 1.184 350 L CB -1.085 40.970 42.059 -0.007 0.000 1.511 350 L HN 0.732 nan 8.230 nan 0.000 0.448 351 L N -0.943 120.275 121.223 -0.009 0.000 2.357 351 L HA 0.829 5.169 4.340 0.001 0.000 0.211 351 L C 1.672 178.538 176.870 -0.007 0.000 1.075 351 L CA 1.141 55.976 54.840 -0.008 0.000 0.830 351 L CB -0.655 41.398 42.059 -0.009 0.000 0.996 351 L HN 1.103 nan 8.230 nan 0.000 0.467 352 A N -0.844 121.972 122.820 -0.006 0.000 2.736 352 A HA 0.768 5.089 4.320 0.001 0.000 0.335 352 A C 1.128 178.709 177.584 -0.004 0.000 1.446 352 A CA 1.032 53.067 52.037 -0.005 0.000 1.028 352 A CB -0.206 18.792 19.000 -0.005 0.000 1.154 352 A HN 2.343 nan 8.150 nan 0.000 0.507 353 M N -0.230 119.368 119.600 -0.004 0.000 7.319 353 M HA -0.041 4.440 4.480 0.001 0.000 0.134 353 M C 0.950 177.248 176.300 -0.003 0.000 0.480 353 M CA 2.298 57.596 55.300 -0.003 0.000 1.311 353 M CB -2.135 30.464 32.600 -0.002 0.000 0.421 353 M HN 2.547 nan 8.290 nan 0.000 0.252 354 A N 0.050 122.869 122.820 -0.003 0.000 2.401 354 A HA 1.058 5.378 4.320 0.001 0.000 0.310 354 A C 1.225 178.807 177.584 -0.003 0.000 1.075 354 A CA 0.792 52.827 52.037 -0.003 0.000 0.746 354 A CB 0.788 19.787 19.000 -0.002 0.000 1.277 354 A HN 2.689 nan 8.150 nan 0.000 0.425 355 A N 1.329 124.147 122.820 -0.004 0.000 1.873 355 A HA 0.320 4.641 4.320 0.001 0.000 0.211 355 A C 1.530 179.113 177.584 -0.003 0.000 1.218 355 A CA 2.367 54.401 52.037 -0.004 0.000 0.659 355 A CB -1.253 17.744 19.000 -0.005 0.000 0.853 355 A HN 2.023 nan 8.150 nan 0.000 0.466 356 T N -1.576 112.978 114.554 -0.001 0.000 3.400 356 T HA 0.614 4.965 4.350 0.001 0.000 0.364 356 T C -0.086 174.614 174.700 0.001 0.000 1.636 356 T CA 0.369 62.469 62.100 0.000 0.000 1.211 356 T CB -0.200 68.669 68.868 0.002 0.000 1.180 356 T HN 1.662 nan 8.240 nan 0.000 0.730 357 V N 0.073 119.987 119.914 0.001 0.000 3.899 357 V HA 0.662 4.782 4.120 0.001 0.000 0.397 357 V C 1.921 178.015 176.094 0.001 0.000 1.633 357 V CA 0.694 62.995 62.300 0.001 0.000 1.575 357 V CB -0.574 31.250 31.823 0.001 0.000 1.066 357 V HN 0.751 nan 8.190 nan 0.000 0.504 358 A N 0.875 123.695 122.820 0.001 0.000 1.997 358 A HA 0.264 4.584 4.320 0.001 0.000 0.221 358 A C 1.854 179.439 177.584 0.001 0.000 1.172 358 A CA 2.919 54.956 52.037 0.000 0.000 0.645 358 A CB -0.620 18.380 19.000 0.000 0.000 0.813 358 A HN 2.450 nan 8.150 nan 0.000 0.454 359 K N -0.660 119.741 120.400 0.002 0.000 5.379 359 K HA 0.026 4.346 4.320 0.001 0.000 0.486 359 K C -0.230 176.371 176.600 0.002 0.000 1.185 359 K CA 0.967 57.255 56.287 0.002 0.000 1.355 359 K CB -2.709 29.792 32.500 0.002 0.000 1.722 359 K HN 1.050 nan 8.250 nan 0.000 0.399 360 S N 0.314 116.015 115.700 0.003 0.000 2.482 360 S HA 0.826 5.297 4.470 0.001 0.000 0.303 360 S C 0.983 175.585 174.600 0.003 0.000 1.091 360 S CA 0.013 58.214 58.200 0.003 0.000 1.057 360 S CB 1.965 65.166 63.200 0.003 0.000 1.031 360 S HN 1.227 nan 8.310 nan 0.000 0.485 361 S N 1.483 117.185 115.700 0.003 0.000 3.792 361 S HA 0.174 4.644 4.470 0.001 0.000 0.229 361 S C -0.356 174.246 174.600 0.003 0.000 1.118 361 S CA -0.147 58.055 58.200 0.003 0.000 0.877 361 S CB -0.229 62.972 63.200 0.003 0.000 1.077 361 S HN 0.692 nan 8.310 nan 0.000 0.546 362 D N 2.665 123.067 120.400 0.002 0.000 2.449 362 D HA 0.153 4.793 4.640 0.001 0.000 0.236 362 D C -1.741 174.561 176.300 0.002 0.000 1.149 362 D CA -0.837 53.164 54.000 0.002 0.000 0.878 362 D CB 0.742 41.543 40.800 0.002 0.000 1.198 362 D HN 0.169 nan 8.370 nan 0.000 0.446 363 P HA -0.185 nan 4.420 nan 0.000 0.219 363 P C 0.683 177.985 177.300 0.002 0.000 1.145 363 P CA 1.448 64.550 63.100 0.002 0.000 0.813 363 P CB 0.299 32.000 31.700 0.002 0.000 0.771 364 A N -1.629 121.192 122.820 0.002 0.000 1.997 364 A HA 0.018 4.339 4.320 0.001 0.000 0.212 364 A C 0.854 178.438 177.584 0.002 0.000 1.178 364 A CA 0.215 52.253 52.037 0.002 0.000 0.698 364 A CB -0.729 18.271 19.000 0.001 0.000 0.842 364 A HN 0.076 nan 8.150 nan 0.000 0.458 365 D N 1.575 121.976 120.400 0.002 0.000 2.474 365 D HA 0.170 4.810 4.640 0.001 0.000 0.232 365 D C -1.999 174.302 176.300 0.002 0.000 1.177 365 D CA -0.578 53.423 54.000 0.002 0.000 0.876 365 D CB 0.266 41.067 40.800 0.002 0.000 1.208 365 D HN 0.272 nan 8.370 nan 0.000 0.464 366 P HA 0.123 nan 4.420 nan 0.000 0.270 366 P C -2.408 174.893 177.300 0.002 0.000 1.223 366 P CA -0.917 62.184 63.100 0.001 0.000 0.785 366 P CB -0.299 31.401 31.700 0.001 0.000 0.923 367 P HA 0.103 nan 4.420 nan 0.000 0.271 367 P C -0.024 177.278 177.300 0.003 0.000 1.233 367 P CA 0.042 63.144 63.100 0.003 0.000 0.789 367 P CB 0.175 31.877 31.700 0.004 0.000 0.951 368 I N 1.696 122.268 120.570 0.004 0.000 2.371 368 I HA 0.263 4.433 4.170 0.001 0.000 0.290 368 I C -1.222 174.897 176.117 0.004 0.000 1.028 368 I CA -2.358 58.944 61.300 0.004 0.000 1.345 368 I CB -0.056 37.948 38.000 0.006 0.000 1.407 368 I HN 0.351 nan 8.210 nan 0.000 0.501 369 P HA 0.050 nan 4.420 nan 0.000 0.235 369 P C -0.162 177.138 177.300 0.000 0.000 1.765 369 P CA -0.279 62.820 63.100 -0.000 0.000 1.034 369 P CB -0.231 31.467 31.700 -0.003 0.000 1.984 370 N N 2.627 121.329 118.700 0.004 0.000 2.394 370 N HA -0.053 4.687 4.740 0.001 0.000 0.288 370 N C -0.556 174.956 175.510 0.003 0.000 1.272 370 N CA 0.323 53.377 53.050 0.007 0.000 1.004 370 N CB -0.034 38.461 38.487 0.013 0.000 1.393 370 N HN 0.084 nan 8.380 nan 0.000 0.488 371 D N 0.916 121.315 120.400 -0.002 0.000 2.894 371 D HA 0.029 4.670 4.640 0.001 0.000 0.273 371 D C 0.194 176.489 176.300 -0.009 0.000 1.328 371 D CA -0.072 53.923 54.000 -0.008 0.000 0.845 371 D CB 0.140 40.931 40.800 -0.015 0.000 1.072 371 D HN 0.345 nan 8.370 nan 0.000 0.484 372 S N -0.005 115.694 115.700 -0.002 0.000 2.579 372 S HA 0.085 4.555 4.470 0.001 0.000 0.275 372 S C 1.426 176.022 174.600 -0.007 0.000 1.345 372 S CA -0.365 57.834 58.200 -0.001 0.000 1.031 372 S CB 1.377 64.582 63.200 0.008 0.000 0.892 372 S HN 0.146 nan 8.310 nan 0.000 0.529 373 R N 2.909 123.404 120.500 -0.009 0.000 2.193 373 R HA 0.270 4.610 4.340 0.001 0.000 0.213 373 R C 0.179 176.466 176.300 -0.022 0.000 1.055 373 R CA 0.841 56.933 56.100 -0.014 0.000 0.995 373 R CB -0.300 29.997 30.300 -0.006 0.000 0.893 373 R HN 0.745 nan 8.270 nan 0.000 0.459 374 I N 1.152 121.710 120.570 -0.020 0.000 2.342 374 I HA 0.016 4.187 4.170 0.001 0.000 0.291 374 I C 1.092 177.187 176.117 -0.037 0.000 1.010 374 I CA -0.264 61.011 61.300 -0.042 0.000 1.308 374 I CB 1.609 39.593 38.000 -0.026 0.000 1.400 374 I HN 0.168 nan 8.210 nan 0.000 0.488 375 L N 6.997 128.165 121.223 -0.091 0.000 2.068 375 L HA 0.075 4.415 4.340 0.001 0.000 0.204 375 L C -0.152 176.781 176.870 0.106 0.000 1.076 375 L CA 1.139 55.964 54.840 -0.025 0.000 0.753 375 L CB 0.302 42.309 42.059 -0.086 0.000 0.910 375 L HN 0.664 nan 8.230 nan 0.000 0.439 376 F N -2.192 117.759 119.950 0.001 0.000 2.769 376 F HA 0.511 5.038 4.527 0.001 0.000 0.313 376 F C -1.091 174.711 175.800 0.003 0.000 1.146 376 F CA -1.719 56.282 58.000 0.003 0.000 0.934 376 F CB 0.863 39.863 39.000 0.001 0.000 1.283 376 F HN -0.330 nan 8.300 nan 0.000 0.443 377 K N 1.296 121.873 120.400 0.295 0.000 2.371 377 K HA 0.377 4.697 4.320 0.001 0.000 0.251 377 K C -1.173 175.579 176.600 0.252 0.000 0.934 377 K CA -0.614 55.775 56.287 0.170 0.000 0.798 377 K CB 2.108 34.655 32.500 0.078 0.000 1.204 377 K HN 0.864 nan 8.250 nan 0.000 0.427 378 E N 5.668 125.988 120.200 0.200 0.000 2.415 378 E HA 0.067 4.418 4.350 0.001 0.000 0.260 378 E C -1.850 174.829 176.600 0.132 0.000 1.016 378 E CA -1.542 54.965 56.400 0.178 0.000 0.924 378 E CB 0.433 30.228 29.700 0.157 0.000 0.961 378 E HN 0.333 nan 8.360 nan 0.000 0.459 379 P HA -0.113 nan 4.420 nan 0.000 0.272 379 P C -0.118 177.235 177.300 0.088 0.000 1.243 379 P CA -0.138 63.020 63.100 0.096 0.000 0.803 379 P CB 0.399 32.153 31.700 0.089 0.000 0.974 380 V N -3.154 116.798 119.914 0.065 0.000 3.109 380 V HA 0.448 4.568 4.120 0.001 0.000 0.317 380 V C 0.560 176.675 176.094 0.034 0.000 1.074 380 V CA -0.952 61.367 62.300 0.032 0.000 1.033 380 V CB 0.831 32.668 31.823 0.022 0.000 1.111 380 V HN 0.661 nan 8.190 nan 0.000 0.458 381 S N 1.260 116.950 115.700 -0.017 0.000 2.546 381 S HA 0.057 4.527 4.470 0.001 0.000 0.290 381 S C 1.238 175.868 174.600 0.051 0.000 1.290 381 S CA 0.200 58.399 58.200 -0.002 0.000 1.069 381 S CB 0.333 63.487 63.200 -0.076 0.000 0.846 381 S HN 1.790 nan 8.310 nan 0.000 0.495 382 S N 4.698 120.449 115.700 0.086 0.000 2.671 382 S HA 0.047 4.518 4.470 0.001 0.000 0.220 382 S C 0.246 174.916 174.600 0.117 0.000 0.951 382 S CA -0.474 57.784 58.200 0.097 0.000 0.932 382 S CB -0.504 62.741 63.200 0.074 0.000 0.777 382 S HN 0.780 nan 8.310 nan 0.000 0.508 383 Y N 3.063 123.373 120.300 0.016 0.000 2.804 383 Y HA 0.143 4.693 4.550 0.001 0.000 0.338 383 Y C 0.642 176.633 175.900 0.150 0.000 1.252 383 Y CA 0.348 58.471 58.100 0.038 0.000 1.576 383 Y CB 0.070 38.508 38.460 -0.037 0.000 1.223 383 Y HN 0.217 nan 8.280 nan 0.000 0.536 384 K N 4.660 124.978 120.400 -0.136 0.000 3.099 384 K HA 0.223 4.543 4.320 0.001 0.000 0.197 384 K C 0.359 176.861 176.600 -0.163 0.000 1.114 384 K CA -0.052 56.263 56.287 0.046 0.000 1.024 384 K CB 0.481 33.023 32.500 0.069 0.000 0.711 384 K HN 0.820 nan 8.250 nan 0.000 0.432 385 G N 0.910 109.345 108.800 -0.609 0.000 2.636 385 G HA2 0.195 4.156 3.960 0.001 0.000 0.246 385 G HA3 0.195 4.156 3.960 0.001 0.000 0.246 385 G C -0.611 174.282 174.900 -0.013 0.000 1.216 385 G CA 0.273 45.123 45.100 -0.416 0.000 0.854 385 G HN 0.192 nan 8.290 nan 0.000 0.572 386 E N -1.120 119.121 120.200 0.067 0.000 2.349 386 E HA 0.251 4.601 4.350 0.001 0.000 0.290 386 E C -1.191 175.547 176.600 0.230 0.000 0.901 386 E CA -0.688 55.819 56.400 0.178 0.000 0.800 386 E CB 0.894 30.698 29.700 0.174 0.000 1.303 386 E HN 0.499 nan 8.360 nan 0.000 0.397 387 Y N 5.786 126.125 120.300 0.064 0.000 2.861 387 Y HA 0.056 4.606 4.550 0.001 0.000 0.344 387 Y C -1.308 174.512 175.900 -0.133 0.000 1.272 387 Y CA -0.135 57.952 58.100 -0.023 0.000 1.502 387 Y CB 0.815 39.267 38.460 -0.013 0.000 1.333 387 Y HN 0.466 nan 8.280 nan 0.000 0.634 388 P HA 0.009 nan 4.420 nan 0.000 0.261 388 P C -0.132 176.725 177.300 -0.738 0.000 1.352 388 P CA 0.597 62.934 63.100 -1.273 0.000 0.891 388 P CB -0.041 31.005 31.700 -1.090 0.000 1.383 389 Y N -0.231 119.898 120.300 -0.285 0.000 2.632 389 Y HA 0.028 4.579 4.550 0.001 0.000 0.301 389 Y C 1.289 176.863 175.900 -0.543 0.000 1.172 389 Y CA 0.070 58.004 58.100 -0.277 0.000 1.328 389 Y CB -0.519 37.864 38.460 -0.129 0.000 1.016 389 Y HN -0.223 nan 8.280 nan 0.000 0.529 390 V N 1.586 121.245 119.914 -0.426 0.000 2.427 390 V HA 0.211 4.331 4.120 0.001 0.000 0.286 390 V C -0.468 175.296 176.094 -0.550 0.000 1.034 390 V CA -0.970 61.086 62.300 -0.407 0.000 0.893 390 V CB 0.928 32.691 31.823 -0.100 0.000 0.982 390 V HN 0.190 nan 8.190 nan 0.000 0.452 391 H N 2.428 121.559 119.070 0.102 0.000 2.736 391 H HA 0.478 5.034 4.556 0.001 0.000 0.271 391 H C -0.351 175.057 175.328 0.133 0.000 1.184 391 H CA -0.339 55.778 56.048 0.116 0.000 1.378 391 H CB 1.447 31.295 29.762 0.144 0.000 1.428 391 H HN 0.537 nan 8.280 nan 0.000 0.500 392 T N 3.690 118.336 114.554 0.155 0.000 2.863 392 T HA 0.493 4.843 4.350 0.001 0.000 0.285 392 T C 0.369 175.126 174.700 0.094 0.000 1.009 392 T CA -0.820 61.337 62.100 0.095 0.000 0.989 392 T CB 1.512 70.421 68.868 0.069 0.000 1.004 392 T HN 0.548 nan 8.240 nan 0.000 0.455 393 M N 1.471 121.111 119.600 0.067 0.000 2.393 393 M HA 0.750 5.230 4.480 0.001 0.000 0.316 393 M C -0.840 175.487 176.300 0.044 0.000 1.087 393 M CA -0.470 54.869 55.300 0.066 0.000 0.937 393 M CB 2.113 34.760 32.600 0.079 0.000 1.668 393 M HN 0.407 nan 8.290 nan 0.000 0.438 394 E N 1.885 122.111 120.200 0.044 0.000 2.246 394 E HA 0.483 4.833 4.350 0.001 0.000 0.266 394 E C -1.172 175.457 176.600 0.048 0.000 0.880 394 E CA -0.669 55.756 56.400 0.040 0.000 0.762 394 E CB 1.768 31.483 29.700 0.025 0.000 1.180 394 E HN 0.923 nan 8.360 nan 0.000 0.416 395 T N 0.461 115.061 114.554 0.076 0.000 2.904 395 T HA 0.114 4.464 4.350 0.001 0.000 0.290 395 T C 1.133 175.878 174.700 0.075 0.000 1.018 395 T CA -0.512 61.643 62.100 0.091 0.000 1.075 395 T CB 1.628 70.600 68.868 0.174 0.000 0.986 395 T HN 0.696 nan 8.240 nan 0.000 0.523 396 E N 1.047 121.287 120.200 0.067 0.000 2.086 396 E HA -0.263 4.087 4.350 0.001 0.000 0.200 396 E C 2.001 178.648 176.600 0.079 0.000 1.012 396 E CA 1.744 58.191 56.400 0.078 0.000 0.812 396 E CB -0.374 29.376 29.700 0.083 0.000 0.743 396 E HN 0.774 nan 8.360 nan 0.000 0.453 397 S N -1.074 114.670 115.700 0.074 0.000 2.547 397 S HA 0.010 4.481 4.470 0.001 0.000 0.235 397 S C 1.231 175.763 174.600 -0.114 0.000 0.980 397 S CA 1.230 59.432 58.200 0.003 0.000 0.941 397 S CB -0.124 63.090 63.200 0.024 0.000 0.763 397 S HN 0.622 nan 8.310 nan 0.000 0.532 398 G N 0.235 108.990 108.800 -0.076 0.000 2.131 398 G HA2 -0.165 3.796 3.960 0.001 0.000 0.201 398 G HA3 -0.165 3.796 3.960 0.001 0.000 0.201 398 G C -0.262 174.523 174.900 -0.191 0.000 1.000 398 G CA -0.018 45.008 45.100 -0.124 0.000 0.680 398 G HN 0.685 nan 8.290 nan 0.000 0.514 399 H N -0.443 118.587 119.070 -0.067 0.000 2.562 399 H HA 0.712 5.269 4.556 0.001 0.000 0.352 399 H C 0.766 176.072 175.328 -0.038 0.000 1.125 399 H CA 0.371 56.382 56.048 -0.063 0.000 1.379 399 H CB 1.049 30.786 29.762 -0.043 0.000 1.464 399 H HN 0.279 nan 8.280 nan 0.000 0.563 400 I N 1.739 122.357 120.570 0.081 0.000 2.569 400 I HA 0.237 4.408 4.170 0.001 0.000 0.290 400 I C -0.881 175.204 176.117 -0.054 0.000 1.088 400 I CA -0.612 60.694 61.300 0.009 0.000 1.047 400 I CB 2.143 40.126 38.000 -0.028 0.000 1.237 400 I HN 0.486 nan 8.210 nan 0.000 0.421 401 Q N 6.367 126.109 119.800 -0.096 0.000 2.274 401 Q HA 0.421 4.761 4.340 0.001 0.000 0.268 401 Q C -1.614 174.209 176.000 -0.294 0.000 1.015 401 Q CA -0.622 55.031 55.803 -0.250 0.000 0.775 401 Q CB 2.189 30.837 28.738 -0.150 0.000 1.256 401 Q HN 0.739 nan 8.270 nan 0.000 0.442 402 E N 3.487 123.388 120.200 -0.497 0.000 2.246 402 E HA 0.363 4.713 4.350 0.001 0.000 0.266 402 E C -1.344 175.031 176.600 -0.375 0.000 0.880 402 E CA -0.757 55.456 56.400 -0.312 0.000 0.762 402 E CB 1.229 30.852 29.700 -0.129 0.000 1.180 402 E HN 0.343 nan 8.360 nan 0.000 0.416 403 F N 2.047 122.075 119.950 0.130 0.000 2.308 403 F HA 0.213 4.740 4.527 0.001 0.000 0.370 403 F C 0.030 175.908 175.800 0.130 0.000 1.100 403 F CA -0.840 57.279 58.000 0.199 0.000 1.108 403 F CB 1.102 40.242 39.000 0.232 0.000 1.293 403 F HN 0.483 nan 8.300 nan 0.000 0.478 404 D N 2.413 122.924 120.400 0.185 0.000 2.317 404 D HA 0.146 4.786 4.640 0.001 0.000 0.234 404 D C 0.207 176.547 176.300 0.066 0.000 1.112 404 D CA -0.200 53.828 54.000 0.045 0.000 0.840 404 D CB 0.959 41.721 40.800 -0.064 0.000 1.078 404 D HN 0.357 nan 8.370 nan 0.000 0.486 405 D N 2.041 122.474 120.400 0.055 0.000 2.349 405 D HA 0.020 4.660 4.640 0.001 0.000 0.214 405 D C 0.024 176.290 176.300 -0.057 0.000 1.063 405 D CA 0.193 54.233 54.000 0.066 0.000 0.847 405 D CB 0.090 41.002 40.800 0.186 0.000 0.933 405 D HN 0.357 nan 8.370 nan 0.000 0.513 406 T N 3.389 117.901 114.554 -0.071 0.000 2.800 406 T HA 0.002 4.352 4.350 0.001 0.000 0.283 406 T C -2.385 172.168 174.700 -0.245 0.000 0.999 406 T CA -0.638 61.351 62.100 -0.185 0.000 1.176 406 T CB 0.529 69.341 68.868 -0.095 0.000 0.973 406 T HN -0.019 nan 8.240 nan 0.000 0.519 407 P HA 0.094 nan 4.420 nan 0.000 0.263 407 P C 1.147 178.361 177.300 -0.143 0.000 1.175 407 P CA 1.012 63.958 63.100 -0.258 0.000 0.761 407 P CB 0.204 31.718 31.700 -0.310 0.000 0.794 408 G N 2.599 111.341 108.800 -0.096 0.000 2.196 408 G HA2 -0.324 3.637 3.960 0.001 0.000 0.268 408 G HA3 -0.324 3.637 3.960 0.001 0.000 0.268 408 G C 0.823 175.693 174.900 -0.050 0.000 0.975 408 G CA 0.522 45.587 45.100 -0.059 0.000 0.648 408 G HN 0.539 nan 8.290 nan 0.000 0.538 409 Q N -0.055 119.704 119.800 -0.067 0.000 2.118 409 Q HA 0.354 4.694 4.340 0.001 0.000 0.219 409 Q C 0.202 176.171 176.000 -0.052 0.000 0.794 409 Q CA -0.018 55.750 55.803 -0.058 0.000 1.035 409 Q CB 0.505 29.196 28.738 -0.079 0.000 1.177 409 Q HN 0.612 nan 8.270 nan 0.000 0.478 410 E N 1.072 121.252 120.200 -0.034 0.000 2.900 410 E HA -0.064 4.287 4.350 0.001 0.000 0.259 410 E C -0.199 176.420 176.600 0.030 0.000 0.918 410 E CA 0.759 57.162 56.400 0.005 0.000 0.960 410 E CB 0.267 29.980 29.700 0.022 0.000 0.908 410 E HN 0.104 nan 8.360 nan 0.000 0.511 411 R N 2.274 122.807 120.500 0.054 0.000 2.764 411 R HA 0.540 4.880 4.340 0.001 0.000 0.270 411 R C -1.822 174.572 176.300 0.157 0.000 1.014 411 R CA -0.934 55.212 56.100 0.078 0.000 0.904 411 R CB 1.220 31.521 30.300 0.001 0.000 1.236 411 R HN 0.598 nan 8.270 nan 0.000 0.466 412 Y N 1.698 122.006 120.300 0.014 0.000 2.470 412 Y HA 0.547 5.097 4.550 0.001 0.000 0.341 412 Y C -1.592 174.290 175.900 -0.031 0.000 1.021 412 Y CA -0.719 57.360 58.100 -0.035 0.000 1.025 412 Y CB 1.738 40.199 38.460 0.002 0.000 1.266 412 Y HN 0.692 nan 8.280 nan 0.000 0.448 413 R N 6.136 126.123 120.500 -0.854 0.000 2.515 413 R HA 0.605 4.946 4.340 0.001 0.000 0.278 413 R C -2.675 173.208 176.300 -0.695 0.000 1.107 413 R CA -0.846 54.930 56.100 -0.540 0.000 0.945 413 R CB 1.437 31.637 30.300 -0.166 0.000 1.219 413 R HN 0.716 nan 8.270 nan 0.000 0.434 414 L N 5.470 126.444 121.223 -0.414 0.000 2.319 414 L HA 0.585 4.926 4.340 0.001 0.000 0.281 414 L C -1.590 175.288 176.870 0.013 0.000 1.005 414 L CA -0.500 54.216 54.840 -0.208 0.000 0.828 414 L CB 1.955 43.986 42.059 -0.047 0.000 1.227 414 L HN 0.434 nan 8.230 nan 0.000 0.415 415 V N 4.204 124.140 119.914 0.037 0.000 2.628 415 V HA 0.509 4.629 4.120 0.001 0.000 0.306 415 V C -0.470 175.720 176.094 0.160 0.000 1.045 415 V CA -0.750 61.617 62.300 0.111 0.000 0.905 415 V CB 1.519 33.360 31.823 0.030 0.000 0.997 415 V HN 0.816 nan 8.190 nan 0.000 0.436 416 H N 5.979 125.097 119.070 0.080 0.000 2.533 416 H HA 0.419 4.976 4.556 0.001 0.000 0.343 416 H C -2.001 173.287 175.328 -0.066 0.000 1.160 416 H CA -2.151 53.931 56.048 0.058 0.000 1.218 416 H CB 2.868 32.693 29.762 0.105 0.000 1.566 416 H HN 0.355 nan 8.280 nan 0.000 0.522 417 P HA -0.173 nan 4.420 nan 0.000 0.216 417 P C 1.279 178.570 177.300 -0.015 0.000 1.150 417 P CA 2.105 65.015 63.100 -0.316 0.000 0.837 417 P CB -0.159 31.255 31.700 -0.475 0.000 0.786 418 T N -4.270 110.458 114.554 0.290 0.000 2.897 418 T HA 0.029 4.380 4.350 0.001 0.000 0.271 418 T C 1.714 176.471 174.700 0.096 0.000 1.084 418 T CA 1.655 63.889 62.100 0.223 0.000 1.123 418 T CB -0.986 68.025 68.868 0.238 0.000 0.865 418 T HN 0.328 nan 8.240 nan 0.000 0.496 419 G N -0.155 108.724 108.800 0.131 0.000 2.284 419 G HA2 -0.175 3.786 3.960 0.001 0.000 0.201 419 G HA3 -0.175 3.786 3.960 0.001 0.000 0.201 419 G C 0.256 175.249 174.900 0.154 0.000 0.998 419 G CA -0.108 45.029 45.100 0.062 0.000 0.651 419 G HN 0.644 nan 8.290 nan 0.000 0.489 420 T N 1.992 116.640 114.554 0.156 0.000 2.829 420 T HA 0.490 4.840 4.350 0.001 0.000 0.293 420 T C -0.076 174.776 174.700 0.252 0.000 0.970 420 T CA 1.137 63.327 62.100 0.149 0.000 1.168 420 T CB -0.103 68.765 68.868 -0.001 0.000 0.911 420 T HN 0.811 nan 8.240 nan 0.000 0.535 421 Y N 0.817 121.129 120.300 0.020 0.000 2.715 421 Y HA 0.806 5.356 4.550 0.001 0.000 0.331 421 Y C -0.655 175.260 175.900 0.026 0.000 1.197 421 Y CA -1.504 56.609 58.100 0.022 0.000 1.079 421 Y CB 1.735 40.195 38.460 0.001 0.000 1.298 421 Y HN 0.478 nan 8.280 nan 0.000 0.477 422 E N 1.020 121.179 120.200 -0.068 0.000 2.321 422 E HA 0.319 4.669 4.350 0.001 0.000 0.281 422 E C -2.065 174.583 176.600 0.080 0.000 0.910 422 E CA -0.629 55.702 56.400 -0.115 0.000 0.770 422 E CB 2.142 31.854 29.700 0.020 0.000 1.225 422 E HN 0.752 nan 8.360 nan 0.000 0.417 423 E N 3.184 123.434 120.200 0.084 0.000 2.356 423 E HA 0.493 4.843 4.350 0.001 0.000 0.275 423 E C -1.734 174.961 176.600 0.158 0.000 0.904 423 E CA -0.877 55.625 56.400 0.170 0.000 0.757 423 E CB 2.127 31.967 29.700 0.234 0.000 1.232 423 E HN 0.270 nan 8.360 nan 0.000 0.442 424 V N 3.641 123.674 119.914 0.198 0.000 2.349 424 V HA 0.209 4.329 4.120 0.001 0.000 0.284 424 V C 0.168 176.332 176.094 0.117 0.000 1.014 424 V CA -0.657 61.728 62.300 0.142 0.000 0.826 424 V CB 0.982 32.892 31.823 0.146 0.000 1.009 424 V HN 0.749 nan 8.190 nan 0.000 0.431 425 S N 5.413 121.162 115.700 0.083 0.000 2.576 425 S HA 0.234 4.704 4.470 0.001 0.000 0.272 425 S C -1.562 173.068 174.600 0.051 0.000 1.352 425 S CA -0.616 57.623 58.200 0.065 0.000 1.021 425 S CB 0.852 64.085 63.200 0.055 0.000 0.887 425 S HN 0.522 nan 8.310 nan 0.000 0.542 426 P HA -0.057 nan 4.420 nan 0.000 0.229 426 P C 1.378 178.691 177.300 0.021 0.000 1.150 426 P CA 1.141 64.256 63.100 0.024 0.000 0.765 426 P CB -0.043 31.661 31.700 0.008 0.000 0.783 427 S N -1.320 114.395 115.700 0.025 0.000 2.425 427 S HA 0.148 4.618 4.470 0.001 0.000 0.225 427 S C 1.651 176.261 174.600 0.017 0.000 1.024 427 S CA 1.253 59.464 58.200 0.019 0.000 0.951 427 S CB -0.736 62.476 63.200 0.020 0.000 0.796 427 S HN 0.246 nan 8.310 nan 0.000 0.498 428 G N 0.794 109.609 108.800 0.024 0.000 2.192 428 G HA2 -0.172 3.789 3.960 0.001 0.000 0.193 428 G HA3 -0.172 3.789 3.960 0.001 0.000 0.193 428 G C 0.094 175.005 174.900 0.018 0.000 0.999 428 G CA 0.014 45.127 45.100 0.021 0.000 0.659 428 G HN 0.655 nan 8.290 nan 0.000 0.503 429 R N 0.774 121.287 120.500 0.021 0.000 2.643 429 R HA 0.501 4.841 4.340 0.001 0.000 0.270 429 R C -0.016 176.297 176.300 0.021 0.000 1.061 429 R CA -0.151 55.958 56.100 0.014 0.000 1.107 429 R CB 0.389 30.699 30.300 0.017 0.000 0.999 429 R HN 0.329 nan 8.270 nan 0.000 0.460 430 R N 2.245 122.746 120.500 0.002 0.000 2.534 430 R HA 0.294 4.635 4.340 0.001 0.000 0.301 430 R C -1.404 174.878 176.300 -0.029 0.000 0.961 430 R CA -0.437 55.664 56.100 0.001 0.000 0.871 430 R CB 1.939 32.236 30.300 -0.005 0.000 1.170 430 R HN 0.624 nan 8.270 nan 0.000 0.446 431 T N 4.118 118.648 114.554 -0.040 0.000 2.829 431 T HA 0.390 4.740 4.350 0.001 0.000 0.280 431 T C -0.779 173.780 174.700 -0.236 0.000 0.999 431 T CA -0.671 61.361 62.100 -0.115 0.000 0.983 431 T CB 1.203 70.022 68.868 -0.082 0.000 0.968 431 T HN 0.427 nan 8.240 nan 0.000 0.446 432 R N 2.864 123.217 120.500 -0.245 0.000 2.467 432 R HA 0.385 4.725 4.340 0.001 0.000 0.299 432 R C -1.073 175.061 176.300 -0.276 0.000 1.120 432 R CA -0.604 55.342 56.100 -0.258 0.000 0.940 432 R CB 0.751 30.974 30.300 -0.128 0.000 1.161 432 R HN 0.540 nan 8.270 nan 0.000 0.506 433 K N 2.116 122.252 120.400 -0.441 0.000 2.164 433 K HA 0.396 4.717 4.320 0.001 0.000 0.258 433 K C -1.239 175.302 176.600 -0.098 0.000 0.951 433 K CA -0.415 55.735 56.287 -0.228 0.000 0.844 433 K CB 1.824 34.245 32.500 -0.132 0.000 1.099 433 K HN 0.395 nan 8.250 nan 0.000 0.435 434 T N 2.832 117.359 114.554 -0.045 0.000 2.906 434 T HA 0.107 4.457 4.350 0.001 0.000 0.302 434 T C 0.771 175.459 174.700 -0.019 0.000 1.002 434 T CA -0.741 61.340 62.100 -0.031 0.000 0.988 434 T CB 1.272 70.115 68.868 -0.042 0.000 0.972 434 T HN 0.491 nan 8.240 nan 0.000 0.447 435 V N -0.144 119.763 119.914 -0.011 0.000 3.444 435 V HA 0.156 4.277 4.120 0.001 0.000 0.271 435 V C 0.428 176.504 176.094 -0.030 0.000 1.188 435 V CA 0.982 63.268 62.300 -0.024 0.000 1.168 435 V CB -0.693 31.108 31.823 -0.036 0.000 0.810 435 V HN 0.735 nan 8.190 nan 0.000 0.500 436 D N -0.678 119.707 120.400 -0.024 0.000 3.374 436 D HA 0.306 4.947 4.640 0.001 0.000 0.259 436 D C -0.450 175.835 176.300 -0.025 0.000 1.376 436 D CA -0.825 53.168 54.000 -0.012 0.000 1.030 436 D CB 0.752 41.560 40.800 0.013 0.000 1.281 436 D HN 0.167 nan 8.370 nan 0.000 0.637 437 N N -0.117 118.581 118.700 -0.002 0.000 2.525 437 N HA 0.420 5.160 4.740 0.001 0.000 0.271 437 N C -1.162 174.311 175.510 -0.062 0.000 1.194 437 N CA -0.164 52.850 53.050 -0.061 0.000 0.964 437 N CB 0.836 39.325 38.487 0.003 0.000 1.126 437 N HN 0.291 nan 8.380 nan 0.000 0.452 438 L N 3.186 124.284 121.223 -0.209 0.000 2.349 438 L HA 0.481 4.821 4.340 0.001 0.000 0.278 438 L C -1.799 174.904 176.870 -0.279 0.000 0.996 438 L CA -0.569 54.192 54.840 -0.132 0.000 0.825 438 L CB 0.590 42.588 42.059 -0.102 0.000 1.243 438 L HN 0.469 nan 8.230 nan 0.000 0.412 439 Y N 3.057 123.342 120.300 -0.025 0.000 2.328 439 Y HA 0.409 4.960 4.550 0.001 0.000 0.333 439 Y C -0.503 175.389 175.900 -0.014 0.000 0.958 439 Y CA -0.624 57.463 58.100 -0.020 0.000 1.167 439 Y CB 1.556 40.006 38.460 -0.018 0.000 1.151 439 Y HN 0.586 nan 8.280 nan 0.000 0.470 440 D N 3.670 124.120 120.400 0.082 0.000 2.460 440 D HA 0.371 5.012 4.640 0.001 0.000 0.268 440 D C -1.067 175.275 176.300 0.071 0.000 1.153 440 D CA -0.177 53.862 54.000 0.065 0.000 0.929 440 D CB 0.278 41.097 40.800 0.031 0.000 1.015 440 D HN 0.279 nan 8.370 nan 0.000 0.502 441 I N 1.570 122.187 120.570 0.079 0.000 2.371 441 I HA 0.295 4.465 4.170 0.001 0.000 0.290 441 I C 0.514 176.657 176.117 0.043 0.000 1.028 441 I CA -0.089 61.246 61.300 0.058 0.000 1.345 441 I CB 1.687 39.718 38.000 0.051 0.000 1.407 441 I HN 0.092 nan 8.210 nan 0.000 0.501 442 T N 3.981 118.557 114.554 0.036 0.000 3.011 442 T HA 0.377 4.728 4.350 0.001 0.000 0.303 442 T C 0.513 175.216 174.700 0.006 0.000 0.997 442 T CA -0.643 61.471 62.100 0.024 0.000 1.007 442 T CB 0.461 69.352 68.868 0.038 0.000 1.017 442 T HN 0.675 nan 8.240 nan 0.000 0.443 443 N N 2.606 121.303 118.700 -0.004 0.000 2.300 443 N HA 0.144 4.885 4.740 0.001 0.000 0.179 443 N C 1.450 176.948 175.510 -0.021 0.000 1.016 443 N CA 0.642 53.685 53.050 -0.012 0.000 0.876 443 N CB 0.166 38.646 38.487 -0.012 0.000 0.979 443 N HN 0.690 nan 8.380 nan 0.000 0.432 444 A N 1.079 123.883 122.820 -0.027 0.000 3.748 444 A HA 0.210 4.530 4.320 0.001 0.000 0.180 444 A C -0.166 177.391 177.584 -0.046 0.000 1.758 444 A CA -0.025 51.990 52.037 -0.036 0.000 1.736 444 A CB -0.158 18.819 19.000 -0.039 0.000 1.559 444 A HN -0.053 nan 8.150 nan 0.000 0.575 445 D N -0.466 119.894 120.400 -0.066 0.000 2.294 445 D HA 0.485 5.125 4.640 0.001 0.000 0.250 445 D C -0.222 175.984 176.300 -0.156 0.000 1.058 445 D CA 0.291 54.236 54.000 -0.091 0.000 0.950 445 D CB 1.159 41.903 40.800 -0.093 0.000 1.158 445 D HN 0.544 nan 8.370 nan 0.000 0.453 446 G N 0.564 109.237 108.800 -0.212 0.000 2.603 446 G HA2 0.385 4.345 3.960 0.001 0.000 0.324 446 G HA3 0.385 4.345 3.960 0.001 0.000 0.324 446 G C -0.605 173.801 174.900 -0.824 0.000 1.178 446 G CA -0.689 44.110 45.100 -0.501 0.000 1.023 446 G HN 0.236 nan 8.290 nan 0.000 0.482 447 N N 1.274 119.471 118.700 -0.839 0.000 2.444 447 N HA 0.585 5.326 4.740 0.001 0.000 0.262 447 N C -1.307 173.769 175.510 -0.723 0.000 0.974 447 N CA -0.415 52.276 53.050 -0.598 0.000 0.933 447 N CB 1.585 39.898 38.487 -0.289 0.000 1.137 447 N HN 0.293 nan 8.380 nan 0.000 0.498 448 F N 1.750 121.696 119.950 -0.007 0.000 2.477 448 F HA 0.482 5.009 4.527 0.001 0.000 0.335 448 F C -0.527 175.268 175.800 -0.009 0.000 1.130 448 F CA -1.007 56.987 58.000 -0.009 0.000 0.948 448 F CB 1.209 40.205 39.000 -0.007 0.000 1.154 448 F HN 0.215 nan 8.300 nan 0.000 0.439 449 L N 4.688 125.998 121.223 0.144 0.000 2.349 449 L HA 0.794 5.134 4.340 0.001 0.000 0.278 449 L C -1.323 175.587 176.870 0.065 0.000 0.996 449 L CA -0.742 54.145 54.840 0.079 0.000 0.825 449 L CB 1.789 43.869 42.059 0.036 0.000 1.243 449 L HN 0.366 nan 8.230 nan 0.000 0.412 450 V N 6.591 126.534 119.914 0.049 0.000 2.327 450 V HA 0.443 4.563 4.120 0.001 0.000 0.272 450 V C 1.111 177.215 176.094 0.016 0.000 1.019 450 V CA 0.131 62.445 62.300 0.024 0.000 0.814 450 V CB 0.657 32.489 31.823 0.014 0.000 1.040 450 V HN 0.990 nan 8.190 nan 0.000 0.440 451 A N 3.800 126.626 122.820 0.011 0.000 1.873 451 A HA 0.027 4.347 4.320 0.001 0.000 0.218 451 A C 1.720 179.306 177.584 0.005 0.000 1.193 451 A CA 2.090 54.131 52.037 0.008 0.000 0.629 451 A CB -0.606 18.397 19.000 0.004 0.000 0.826 451 A HN 0.881 nan 8.150 nan 0.000 0.447 452 G N -0.910 107.889 108.800 -0.002 0.000 2.735 452 G HA2 0.391 4.352 3.960 0.001 0.000 0.192 452 G HA3 0.391 4.352 3.960 0.001 0.000 0.192 452 G C -0.536 174.363 174.900 -0.002 0.000 1.547 452 G CA 0.037 45.135 45.100 -0.004 0.000 1.080 452 G HN 0.326 nan 8.290 nan 0.000 0.569 453 D N -0.459 119.938 120.400 -0.005 0.000 2.383 453 D HA 0.401 5.041 4.640 0.001 0.000 0.248 453 D C -0.055 176.237 176.300 -0.013 0.000 1.170 453 D CA 0.094 54.094 54.000 -0.000 0.000 0.977 453 D CB 1.446 42.251 40.800 0.009 0.000 1.120 453 D HN 0.323 nan 8.370 nan 0.000 0.481 454 K N 0.944 121.343 120.400 -0.002 0.000 2.613 454 K HA 0.311 4.631 4.320 0.001 0.000 0.248 454 K C -1.303 175.308 176.600 0.019 0.000 0.959 454 K CA -0.694 55.584 56.287 -0.014 0.000 0.855 454 K CB 0.698 33.193 32.500 -0.009 0.000 1.143 454 K HN 0.025 nan 8.250 nan 0.000 0.437 455 K N 1.686 122.104 120.400 0.030 0.000 2.164 455 K HA 0.496 4.817 4.320 0.001 0.000 0.258 455 K C -1.096 175.633 176.600 0.214 0.000 0.951 455 K CA -0.491 55.892 56.287 0.160 0.000 0.844 455 K CB 2.191 34.902 32.500 0.352 0.000 1.099 455 K HN 0.500 nan 8.250 nan 0.000 0.435 456 T N 1.487 116.161 114.554 0.199 0.000 2.993 456 T HA 0.476 4.826 4.350 0.001 0.000 0.312 456 T C -1.234 173.526 174.700 0.100 0.000 1.115 456 T CA -1.002 61.192 62.100 0.158 0.000 1.027 456 T CB 1.115 70.023 68.868 0.067 0.000 1.116 456 T HN 0.395 nan 8.240 nan 0.000 0.464 457 N N 0.835 119.579 118.700 0.074 0.000 2.352 457 N HA 0.592 5.332 4.740 0.001 0.000 0.291 457 N C -1.400 174.111 175.510 0.001 0.000 1.040 457 N CA -0.479 52.575 53.050 0.007 0.000 0.864 457 N CB 2.065 40.514 38.487 -0.063 0.000 1.440 457 N HN 0.368 nan 8.380 nan 0.000 0.483 458 V N 1.949 121.862 119.914 -0.002 0.000 2.326 458 V HA 0.405 4.525 4.120 0.001 0.000 0.281 458 V C 1.446 177.525 176.094 -0.025 0.000 1.015 458 V CA -0.424 61.869 62.300 -0.013 0.000 0.823 458 V CB 1.086 32.910 31.823 0.001 0.000 1.009 458 V HN 0.890 nan 8.190 nan 0.000 0.436 459 G N 3.916 112.684 108.800 -0.053 0.000 2.480 459 G HA2 -0.036 3.925 3.960 0.001 0.000 0.216 459 G HA3 -0.036 3.925 3.960 0.001 0.000 0.216 459 G C 0.985 175.829 174.900 -0.092 0.000 1.200 459 G CA 0.920 45.976 45.100 -0.075 0.000 0.782 459 G HN 0.816 nan 8.290 nan 0.000 0.554 460 G N -0.621 108.104 108.800 -0.124 0.000 2.783 460 G HA2 0.388 4.348 3.960 0.001 0.000 0.182 460 G HA3 0.388 4.348 3.960 0.001 0.000 0.182 460 G C 0.311 175.169 174.900 -0.071 0.000 1.516 460 G CA 0.680 45.679 45.100 -0.167 0.000 1.079 460 G HN 0.550 nan 8.290 nan 0.000 0.573 461 S N -1.427 114.235 115.700 -0.063 0.000 2.693 461 S HA 0.494 4.964 4.470 0.001 0.000 0.276 461 S C -0.488 174.109 174.600 -0.004 0.000 1.192 461 S CA -0.412 57.785 58.200 -0.004 0.000 0.994 461 S CB 1.418 64.623 63.200 0.009 0.000 1.012 461 S HN 0.582 nan 8.310 nan 0.000 0.550 462 E N 1.228 121.440 120.200 0.021 0.000 2.272 462 E HA 0.562 4.912 4.350 0.001 0.000 0.269 462 E C -1.583 175.048 176.600 0.052 0.000 0.877 462 E CA -0.601 55.819 56.400 0.034 0.000 0.755 462 E CB 1.221 30.952 29.700 0.051 0.000 1.192 462 E HN 0.660 nan 8.360 nan 0.000 0.422 463 I N 4.240 124.844 120.570 0.056 0.000 2.447 463 I HA 0.296 4.466 4.170 0.001 0.000 0.287 463 I C -1.498 174.688 176.117 0.115 0.000 1.023 463 I CA -0.942 60.398 61.300 0.067 0.000 1.083 463 I CB 1.540 39.553 38.000 0.022 0.000 1.245 463 I HN 0.562 nan 8.210 nan 0.000 0.434 464 Y N 7.344 127.666 120.300 0.036 0.000 2.332 464 Y HA 0.360 4.911 4.550 0.001 0.000 0.326 464 Y C -1.499 174.486 175.900 0.143 0.000 0.978 464 Y CA -0.725 57.415 58.100 0.067 0.000 1.205 464 Y CB 1.163 39.647 38.460 0.040 0.000 1.131 464 Y HN 0.449 nan 8.280 nan 0.000 0.462 465 Y N 6.433 126.680 120.300 -0.088 0.000 2.331 465 Y HA 0.389 4.939 4.550 0.001 0.000 0.338 465 Y C -0.722 175.174 175.900 -0.006 0.000 0.976 465 Y CA -0.816 57.282 58.100 -0.005 0.000 1.137 465 Y CB 0.814 39.250 38.460 -0.039 0.000 1.172 465 Y HN 0.680 nan 8.280 nan 0.000 0.478 466 N N 6.462 125.379 118.700 0.361 0.000 2.621 466 N HA 0.224 4.964 4.740 0.001 0.000 0.237 466 N C 0.417 175.881 175.510 -0.077 0.000 0.997 466 N CA -0.299 52.815 53.050 0.107 0.000 0.918 466 N CB 0.868 39.493 38.487 0.231 0.000 1.122 466 N HN 0.767 nan 8.380 nan 0.000 0.510 467 M N 0.357 119.721 119.600 -0.393 0.000 2.632 467 M HA -0.051 4.429 4.480 0.001 0.000 0.256 467 M C 0.123 176.354 176.300 -0.114 0.000 1.080 467 M CA 1.244 56.314 55.300 -0.384 0.000 1.084 467 M CB -0.104 32.219 32.600 -0.462 0.000 1.439 467 M HN 0.572 nan 8.290 nan 0.000 0.509 468 D N -1.468 118.903 120.400 -0.049 0.000 3.798 468 D HA 0.244 4.884 4.640 0.001 0.000 0.296 468 D C -0.663 175.652 176.300 0.026 0.000 1.489 468 D CA -0.579 53.418 54.000 -0.005 0.000 0.988 468 D CB 0.684 41.474 40.800 -0.016 0.000 1.360 468 D HN -0.141 nan 8.370 nan 0.000 0.641 469 N N 0.774 119.489 118.700 0.024 0.000 2.371 469 N HA 0.239 4.979 4.740 0.001 0.000 0.243 469 N C -0.370 175.167 175.510 0.046 0.000 1.287 469 N CA 0.318 53.389 53.050 0.035 0.000 0.911 469 N CB 0.484 38.987 38.487 0.028 0.000 1.142 469 N HN 0.237 nan 8.380 nan 0.000 0.451 470 R N 1.314 121.845 120.500 0.052 0.000 2.518 470 R HA 0.327 4.668 4.340 0.001 0.000 0.287 470 R C -1.792 174.543 176.300 0.059 0.000 1.135 470 R CA -0.483 55.653 56.100 0.059 0.000 0.967 470 R CB 0.548 30.890 30.300 0.071 0.000 1.212 470 R HN 0.619 nan 8.270 nan 0.000 0.422 471 L N 3.532 124.792 121.223 0.061 0.000 2.346 471 L HA 0.570 4.911 4.340 0.001 0.000 0.274 471 L C -1.169 175.778 176.870 0.129 0.000 1.007 471 L CA -0.608 54.280 54.840 0.079 0.000 0.818 471 L CB 1.680 43.774 42.059 0.058 0.000 1.284 471 L HN 0.786 nan 8.230 nan 0.000 0.424 472 H N 3.826 122.901 119.070 0.007 0.000 3.181 472 H HA 0.283 4.839 4.556 0.001 0.000 0.331 472 H C -1.567 173.762 175.328 0.002 0.000 0.988 472 H CA -0.688 55.362 56.048 0.002 0.000 1.449 472 H CB 1.500 31.256 29.762 -0.010 0.000 1.749 472 H HN 0.732 nan 8.280 nan 0.000 0.501 473 Q N 5.141 125.038 119.800 0.162 0.000 2.257 473 Q HA 0.564 4.904 4.340 0.001 0.000 0.262 473 Q C -1.347 174.635 176.000 -0.031 0.000 0.997 473 Q CA -0.872 54.940 55.803 0.016 0.000 0.873 473 Q CB 1.594 30.355 28.738 0.038 0.000 1.312 473 Q HN 0.657 nan 8.270 nan 0.000 0.450 474 I N 3.267 123.787 120.570 -0.083 0.000 2.497 474 I HA 0.164 4.334 4.170 0.001 0.000 0.284 474 I C -0.612 175.483 176.117 -0.036 0.000 1.060 474 I CA -0.611 60.646 61.300 -0.072 0.000 1.071 474 I CB 1.845 39.758 38.000 -0.145 0.000 1.216 474 I HN 0.709 nan 8.210 nan 0.000 0.442 475 D N 3.851 124.245 120.400 -0.010 0.000 2.194 475 D HA 0.013 4.653 4.640 0.001 0.000 0.204 475 D C 1.316 177.612 176.300 -0.007 0.000 0.964 475 D CA 0.807 54.804 54.000 -0.006 0.000 0.846 475 D CB 0.359 41.161 40.800 0.004 0.000 0.962 475 D HN 0.673 nan 8.370 nan 0.000 0.490 476 G N 0.012 108.808 108.800 -0.007 0.000 2.666 476 G HA2 0.343 4.303 3.960 0.001 0.000 0.207 476 G HA3 0.343 4.303 3.960 0.001 0.000 0.207 476 G C 0.121 175.014 174.900 -0.013 0.000 1.481 476 G CA 0.060 45.157 45.100 -0.005 0.000 1.071 476 G HN 0.262 nan 8.290 nan 0.000 0.572 477 S N -1.392 114.303 115.700 -0.009 0.000 2.693 477 S HA 0.492 4.963 4.470 0.001 0.000 0.276 477 S C -0.401 174.188 174.600 -0.017 0.000 1.192 477 S CA -0.644 57.549 58.200 -0.012 0.000 0.994 477 S CB 1.622 64.819 63.200 -0.005 0.000 1.012 477 S HN 0.608 nan 8.310 nan 0.000 0.550 478 N N 0.021 118.709 118.700 -0.021 0.000 2.448 478 N HA 0.415 5.155 4.740 0.001 0.000 0.279 478 N C -1.554 173.954 175.510 -0.004 0.000 1.025 478 N CA -0.224 52.811 53.050 -0.026 0.000 0.898 478 N CB 2.064 40.516 38.487 -0.058 0.000 1.303 478 N HN 0.766 nan 8.380 nan 0.000 0.495 479 T N 4.142 118.704 114.554 0.013 0.000 2.812 479 T HA 0.609 4.960 4.350 0.001 0.000 0.282 479 T C -0.913 173.821 174.700 0.057 0.000 0.990 479 T CA -0.567 61.555 62.100 0.036 0.000 0.960 479 T CB 0.162 69.055 68.868 0.040 0.000 0.948 479 T HN 0.400 nan 8.240 nan 0.000 0.438 480 I N 5.308 125.919 120.570 0.069 0.000 2.439 480 I HA 0.470 4.640 4.170 0.001 0.000 0.285 480 I C -1.261 174.928 176.117 0.120 0.000 1.021 480 I CA -0.910 60.437 61.300 0.078 0.000 1.091 480 I CB 1.733 39.751 38.000 0.031 0.000 1.242 480 I HN 0.596 nan 8.210 nan 0.000 0.439 481 F N 8.225 128.176 119.950 0.001 0.000 2.460 481 F HA 0.638 5.165 4.527 0.001 0.000 0.341 481 F C -0.592 175.211 175.800 0.005 0.000 1.130 481 F CA -0.798 57.203 58.000 0.001 0.000 0.962 481 F CB 1.433 40.432 39.000 -0.001 0.000 1.171 481 F HN 0.167 nan 8.300 nan 0.000 0.436 482 V N 5.940 125.645 119.914 -0.349 0.000 2.444 482 V HA 0.563 4.684 4.120 0.001 0.000 0.294 482 V C 0.664 176.591 176.094 -0.278 0.000 1.022 482 V CA -0.748 61.448 62.300 -0.173 0.000 0.850 482 V CB 1.737 33.502 31.823 -0.096 0.000 0.992 482 V HN 0.834 nan 8.190 nan 0.000 0.426 483 R N 3.799 124.257 120.500 -0.070 0.000 2.075 483 R HA 0.116 4.457 4.340 0.001 0.000 0.232 483 R C 1.339 177.617 176.300 -0.037 0.000 1.126 483 R CA 1.452 57.536 56.100 -0.027 0.000 0.963 483 R CB -0.440 29.912 30.300 0.086 0.000 0.858 483 R HN 0.909 nan 8.270 nan 0.000 0.435 484 G N 0.694 109.490 108.800 -0.006 0.000 2.630 484 G HA2 0.135 4.095 3.960 0.001 0.000 0.223 484 G HA3 0.135 4.095 3.960 0.001 0.000 0.223 484 G C -0.352 174.532 174.900 -0.027 0.000 1.434 484 G CA -0.500 44.602 45.100 0.003 0.000 1.057 484 G HN 0.023 nan 8.290 nan 0.000 0.570 485 D N -0.359 120.033 120.400 -0.012 0.000 2.383 485 D HA 0.312 4.952 4.640 0.001 0.000 0.248 485 D C -0.324 175.963 176.300 -0.022 0.000 1.170 485 D CA 0.279 54.266 54.000 -0.022 0.000 0.977 485 D CB 1.650 42.444 40.800 -0.010 0.000 1.120 485 D HN 0.386 nan 8.370 nan 0.000 0.481 486 E N 0.286 120.471 120.200 -0.026 0.000 2.302 486 E HA 0.241 4.592 4.350 0.001 0.000 0.263 486 E C -1.478 175.113 176.600 -0.016 0.000 0.897 486 E CA -0.502 55.885 56.400 -0.021 0.000 0.809 486 E CB 1.336 31.017 29.700 -0.033 0.000 1.270 486 E HN 0.371 nan 8.360 nan 0.000 0.410 487 T N 2.647 117.197 114.554 -0.008 0.000 2.856 487 T HA 0.495 4.846 4.350 0.001 0.000 0.283 487 T C -0.876 173.822 174.700 -0.003 0.000 1.008 487 T CA -0.690 61.406 62.100 -0.006 0.000 0.997 487 T CB 1.517 70.383 68.868 -0.004 0.000 0.992 487 T HN 0.323 nan 8.240 nan 0.000 0.454 488 K N 3.097 123.496 120.400 -0.003 0.000 2.482 488 K HA 0.480 4.801 4.320 0.001 0.000 0.251 488 K C -1.323 175.278 176.600 0.003 0.000 0.936 488 K CA -0.511 55.777 56.287 0.002 0.000 0.791 488 K CB 2.248 34.749 32.500 0.001 0.000 1.213 488 K HN 0.779 nan 8.250 nan 0.000 0.428 489 T N 1.992 116.549 114.554 0.006 0.000 2.855 489 T HA 0.445 4.795 4.350 0.001 0.000 0.281 489 T C -1.006 173.701 174.700 0.012 0.000 1.007 489 T CA -0.550 61.554 62.100 0.007 0.000 1.009 489 T CB 1.634 70.505 68.868 0.006 0.000 0.983 489 T HN 0.277 nan 8.240 nan 0.000 0.455 490 V N 3.261 123.182 119.914 0.011 0.000 2.398 490 V HA 0.231 4.352 4.120 0.001 0.000 0.282 490 V C 0.880 176.982 176.094 0.014 0.000 1.014 490 V CA -0.524 61.784 62.300 0.014 0.000 0.838 490 V CB 1.293 33.123 31.823 0.012 0.000 1.018 490 V HN 0.945 nan 8.190 nan 0.000 0.432 491 E N 2.707 122.917 120.200 0.017 0.000 2.208 491 E HA -0.014 4.337 4.350 0.001 0.000 0.193 491 E C 1.534 178.143 176.600 0.015 0.000 0.988 491 E CA 1.057 57.466 56.400 0.015 0.000 0.828 491 E CB 0.475 30.186 29.700 0.018 0.000 0.763 491 E HN 0.834 nan 8.360 nan 0.000 0.478 492 G N 0.955 109.766 108.800 0.017 0.000 2.928 492 G HA2 0.116 4.076 3.960 0.001 0.000 0.163 492 G HA3 0.116 4.076 3.960 0.001 0.000 0.163 492 G C -0.129 174.778 174.900 0.012 0.000 1.573 492 G CA -0.502 44.607 45.100 0.015 0.000 1.084 492 G HN 0.046 nan 8.290 nan 0.000 0.569 493 N N -0.100 118.607 118.700 0.012 0.000 2.392 493 N HA 0.464 5.204 4.740 0.001 0.000 0.283 493 N C -0.258 175.257 175.510 0.009 0.000 1.003 493 N CA -0.535 52.521 53.050 0.009 0.000 0.892 493 N CB 1.819 40.311 38.487 0.008 0.000 1.193 493 N HN 0.515 nan 8.380 nan 0.000 0.487 494 G N 0.990 109.795 108.800 0.007 0.000 2.390 494 G HA2 0.399 4.359 3.960 0.001 0.000 0.270 494 G HA3 0.399 4.359 3.960 0.001 0.000 0.270 494 G C -0.516 174.386 174.900 0.004 0.000 1.211 494 G CA 0.023 45.126 45.100 0.006 0.000 0.842 494 G HN 0.375 nan 8.290 nan 0.000 0.519 495 T N 1.658 116.214 114.554 0.004 0.000 2.916 495 T HA 0.558 4.908 4.350 0.001 0.000 0.298 495 T C -0.729 173.971 174.700 0.001 0.000 1.031 495 T CA -0.352 61.750 62.100 0.003 0.000 0.993 495 T CB 1.745 70.615 68.868 0.004 0.000 1.045 495 T HN 0.574 nan 8.240 nan 0.000 0.454 496 I N 3.557 124.127 120.570 -0.001 0.000 2.571 496 I HA 0.574 4.744 4.170 0.001 0.000 0.286 496 I C -2.088 174.027 176.117 -0.004 0.000 1.134 496 I CA -1.184 60.114 61.300 -0.003 0.000 1.052 496 I CB 1.315 39.313 38.000 -0.004 0.000 1.237 496 I HN 0.540 nan 8.210 nan 0.000 0.435 497 L N 9.360 130.580 121.223 -0.005 0.000 2.343 497 L HA 0.639 4.979 4.340 0.001 0.000 0.278 497 L C -1.561 175.305 176.870 -0.007 0.000 0.996 497 L CA -0.448 54.389 54.840 -0.005 0.000 0.831 497 L CB 1.647 43.704 42.059 -0.004 0.000 1.232 497 L HN 0.405 nan 8.230 nan 0.000 0.413 498 V N 5.720 125.631 119.914 -0.006 0.000 2.376 498 V HA 0.418 4.538 4.120 0.001 0.000 0.287 498 V C 0.861 176.952 176.094 -0.006 0.000 1.015 498 V CA -0.337 61.959 62.300 -0.007 0.000 0.834 498 V CB 1.249 33.068 31.823 -0.007 0.000 1.001 498 V HN 0.920 nan 8.190 nan 0.000 0.428 499 K N 4.053 124.450 120.400 -0.006 0.000 2.147 499 K HA 0.073 4.394 4.320 0.001 0.000 0.205 499 K C 1.365 177.962 176.600 -0.004 0.000 1.049 499 K CA 1.420 57.704 56.287 -0.005 0.000 0.936 499 K CB -0.059 32.438 32.500 -0.005 0.000 0.722 499 K HN 0.848 nan 8.250 nan 0.000 0.446 500 G N 0.883 109.680 108.800 -0.005 0.000 2.783 500 G HA2 0.064 4.025 3.960 0.001 0.000 0.182 500 G HA3 0.064 4.025 3.960 0.001 0.000 0.182 500 G C -0.080 174.818 174.900 -0.003 0.000 1.516 500 G CA -0.464 44.633 45.100 -0.004 0.000 1.079 500 G HN 0.059 nan 8.290 nan 0.000 0.573 501 N N -1.492 117.206 118.700 -0.003 0.000 2.485 501 N HA 0.562 5.303 4.740 0.001 0.000 0.280 501 N C -1.094 174.414 175.510 -0.003 0.000 1.205 501 N CA -0.316 52.733 53.050 -0.003 0.000 0.959 501 N CB 2.097 40.583 38.487 -0.002 0.000 1.206 501 N HN 0.112 nan 8.380 nan 0.000 0.545 502 V N 0.635 120.547 119.914 -0.003 0.000 2.577 502 V HA 0.424 4.544 4.120 0.001 0.000 0.303 502 V C -0.663 175.429 176.094 -0.003 0.000 1.042 502 V CA -0.511 61.787 62.300 -0.003 0.000 0.872 502 V CB 1.843 33.663 31.823 -0.004 0.000 0.998 502 V HN 0.658 nan 8.190 nan 0.000 0.423 503 T N 6.352 120.904 114.554 -0.003 0.000 2.847 503 T HA 0.660 5.010 4.350 0.001 0.000 0.291 503 T C -0.450 174.248 174.700 -0.004 0.000 0.998 503 T CA -0.172 61.927 62.100 -0.003 0.000 0.967 503 T CB 0.880 69.747 68.868 -0.001 0.000 0.954 503 T HN 0.367 nan 8.240 nan 0.000 0.441 504 I N 3.647 124.214 120.570 -0.006 0.000 2.493 504 I HA 0.602 4.773 4.170 0.001 0.000 0.298 504 I C -0.515 175.597 176.117 -0.009 0.000 0.998 504 I CA -1.050 60.245 61.300 -0.009 0.000 1.137 504 I CB 1.829 39.822 38.000 -0.010 0.000 1.310 504 I HN 0.469 nan 8.210 nan 0.000 0.445 505 I N 6.430 126.993 120.570 -0.012 0.000 2.586 505 I HA 0.314 4.484 4.170 0.001 0.000 0.288 505 I C -1.038 175.069 176.117 -0.017 0.000 1.147 505 I CA -0.799 60.494 61.300 -0.012 0.000 1.047 505 I CB 2.331 40.327 38.000 -0.008 0.000 1.244 505 I HN 0.302 nan 8.210 nan 0.000 0.429 506 V N 2.924 122.827 119.914 -0.017 0.000 2.483 506 V HA 0.476 4.597 4.120 0.001 0.000 0.297 506 V C 0.296 176.378 176.094 -0.019 0.000 1.027 506 V CA -0.219 62.069 62.300 -0.021 0.000 0.855 506 V CB 1.724 33.533 31.823 -0.023 0.000 0.995 506 V HN 0.832 nan 8.190 nan 0.000 0.424 507 E N 3.895 124.084 120.200 -0.019 0.000 2.481 507 E HA 0.218 4.568 4.350 0.001 0.000 0.195 507 E C 1.152 177.743 176.600 -0.015 0.000 1.047 507 E CA 0.790 57.181 56.400 -0.015 0.000 0.867 507 E CB 0.573 30.265 29.700 -0.014 0.000 0.858 507 E HN 0.948 nan 8.360 nan 0.000 0.513 508 G N 0.476 109.265 108.800 -0.018 0.000 2.890 508 G HA2 0.222 4.182 3.960 0.001 0.000 0.189 508 G HA3 0.222 4.182 3.960 0.001 0.000 0.189 508 G C -0.373 174.516 174.900 -0.018 0.000 1.342 508 G CA -0.666 44.423 45.100 -0.017 0.000 1.026 508 G HN -0.022 nan 8.290 nan 0.000 0.579 509 N N -0.324 118.365 118.700 -0.019 0.000 2.493 509 N HA 0.579 5.320 4.740 0.001 0.000 0.275 509 N C -0.276 175.220 175.510 -0.024 0.000 1.186 509 N CA 0.031 53.068 53.050 -0.022 0.000 0.978 509 N CB 1.677 40.152 38.487 -0.021 0.000 1.184 509 N HN 0.658 nan 8.380 nan 0.000 0.487 510 A N 0.495 123.299 122.820 -0.028 0.000 2.343 510 A HA 0.635 4.955 4.320 0.001 0.000 0.316 510 A C -1.399 176.166 177.584 -0.033 0.000 1.104 510 A CA -0.684 51.335 52.037 -0.029 0.000 0.768 510 A CB 0.541 19.523 19.000 -0.030 0.000 1.213 510 A HN 0.737 nan 8.150 nan 0.000 0.456 511 D N 1.078 121.461 120.400 -0.029 0.000 2.896 511 D HA 0.614 5.255 4.640 0.001 0.000 0.241 511 D C -0.986 175.298 176.300 -0.026 0.000 1.188 511 D CA 0.017 53.999 54.000 -0.030 0.000 0.879 511 D CB 1.753 42.538 40.800 -0.025 0.000 1.553 511 D HN 0.422 nan 8.370 nan 0.000 0.515 512 I N 1.392 121.945 120.570 -0.029 0.000 2.533 512 I HA 0.414 4.584 4.170 0.001 0.000 0.290 512 I C -0.689 175.416 176.117 -0.020 0.000 1.056 512 I CA -0.621 60.665 61.300 -0.023 0.000 1.057 512 I CB 2.361 40.347 38.000 -0.024 0.000 1.240 512 I HN 0.226 nan 8.210 nan 0.000 0.423 513 T N 5.141 119.687 114.554 -0.013 0.000 2.861 513 T HA 0.548 4.898 4.350 0.001 0.000 0.287 513 T C -0.561 174.137 174.700 -0.004 0.000 1.003 513 T CA -0.515 61.580 62.100 -0.008 0.000 0.977 513 T CB 2.314 71.178 68.868 -0.007 0.000 0.996 513 T HN 0.219 nan 8.240 nan 0.000 0.448 514 V N 4.322 124.236 119.914 -0.000 0.000 2.385 514 V HA 0.276 4.396 4.120 0.001 0.000 0.277 514 V C 0.798 176.895 176.094 0.005 0.000 1.012 514 V CA -0.739 61.563 62.300 0.002 0.000 0.832 514 V CB 1.270 33.096 31.823 0.005 0.000 1.028 514 V HN 0.843 nan 8.190 nan 0.000 0.436 515 K N 2.239 122.642 120.400 0.004 0.000 2.504 515 K HA 0.129 4.449 4.320 0.001 0.000 0.195 515 K C 1.297 177.900 176.600 0.005 0.000 1.036 515 K CA 0.848 57.138 56.287 0.005 0.000 0.984 515 K CB 0.435 32.937 32.500 0.004 0.000 0.788 515 K HN 0.793 nan 8.250 nan 0.000 0.488 516 G N 0.475 109.278 108.800 0.005 0.000 3.310 516 G HA2 0.115 4.075 3.960 0.001 0.000 0.176 516 G HA3 0.115 4.075 3.960 0.001 0.000 0.176 516 G C -1.024 173.879 174.900 0.005 0.000 1.307 516 G CA -0.411 44.691 45.100 0.004 0.000 0.935 516 G HN -0.043 nan 8.290 nan 0.000 0.628 517 D N 0.756 121.158 120.400 0.003 0.000 2.217 517 D HA 0.609 5.250 4.640 0.001 0.000 0.243 517 D C 0.044 176.346 176.300 0.002 0.000 1.054 517 D CA -0.021 53.981 54.000 0.002 0.000 0.838 517 D CB 1.705 42.504 40.800 -0.001 0.000 1.162 517 D HN 0.465 nan 8.370 nan 0.000 0.472 518 A N 1.822 124.645 122.820 0.005 0.000 2.304 518 A HA 0.693 5.013 4.320 0.001 0.000 0.301 518 A C -0.020 177.565 177.584 0.000 0.000 1.132 518 A CA -0.253 51.788 52.037 0.006 0.000 0.819 518 A CB 0.899 19.908 19.000 0.015 0.000 1.094 518 A HN 0.400 nan 8.150 nan 0.000 0.492 519 T N 1.068 115.621 114.554 -0.001 0.000 3.032 519 T HA 0.625 4.975 4.350 0.001 0.000 0.312 519 T C -0.816 173.881 174.700 -0.006 0.000 1.078 519 T CA -0.017 62.079 62.100 -0.008 0.000 1.028 519 T CB 1.413 70.275 68.868 -0.010 0.000 1.091 519 T HN 1.149 nan 8.240 nan 0.000 0.457 520 T N 1.981 116.529 114.554 -0.010 0.000 2.937 520 T HA 0.720 5.070 4.350 0.001 0.000 0.297 520 T C -1.069 173.624 174.700 -0.013 0.000 0.991 520 T CA -0.804 61.292 62.100 -0.007 0.000 0.990 520 T CB 1.207 70.076 68.868 0.001 0.000 0.991 520 T HN 0.376 nan 8.240 nan 0.000 0.440 521 L N 3.678 124.895 121.223 -0.009 0.000 2.334 521 L HA 0.916 5.256 4.340 0.001 0.000 0.272 521 L C -0.809 176.057 176.870 -0.006 0.000 1.020 521 L CA -0.818 54.016 54.840 -0.010 0.000 0.812 521 L CB 1.981 44.035 42.059 -0.009 0.000 1.264 521 L HN 0.821 nan 8.230 nan 0.000 0.439 522 V N 4.509 124.419 119.914 -0.006 0.000 2.925 522 V HA 0.300 4.420 4.120 0.001 0.000 0.252 522 V C 0.519 176.611 176.094 -0.003 0.000 0.913 522 V CA -0.362 61.936 62.300 -0.003 0.000 0.933 522 V CB 1.009 32.831 31.823 -0.001 0.000 1.039 522 V HN 0.937 nan 8.190 nan 0.000 0.507 523 E N 3.115 123.313 120.200 -0.002 0.000 2.219 523 E HA -0.068 4.282 4.350 0.001 0.000 0.198 523 E C 1.176 177.775 176.600 -0.001 0.000 0.998 523 E CA 1.425 57.824 56.400 -0.002 0.000 0.818 523 E CB 0.150 29.849 29.700 -0.001 0.000 0.741 523 E HN 0.881 nan 8.360 nan 0.000 0.477 524 G N 0.908 109.707 108.800 -0.001 0.000 2.543 524 G HA2 0.168 4.129 3.960 0.001 0.000 0.267 524 G HA3 0.168 4.129 3.960 0.001 0.000 0.267 524 G C -0.012 174.887 174.900 -0.002 0.000 1.406 524 G CA -0.607 44.492 45.100 -0.001 0.000 1.048 524 G HN -0.027 nan 8.290 nan 0.000 0.548 525 N N 0.313 119.011 118.700 -0.002 0.000 2.520 525 N HA 0.312 5.053 4.740 0.001 0.000 0.273 525 N C -0.332 175.177 175.510 -0.002 0.000 1.155 525 N CA -0.076 52.972 53.050 -0.004 0.000 0.967 525 N CB 1.659 40.143 38.487 -0.006 0.000 1.092 525 N HN 0.451 nan 8.380 nan 0.000 0.457 526 Q N 0.864 120.662 119.800 -0.002 0.000 2.325 526 Q HA 0.466 4.807 4.340 0.001 0.000 0.262 526 Q C -1.071 174.931 176.000 0.003 0.000 0.968 526 Q CA -0.560 55.245 55.803 0.003 0.000 0.877 526 Q CB 1.038 29.781 28.738 0.007 0.000 1.253 526 Q HN 0.554 nan 8.270 nan 0.000 0.448 527 T N 3.724 118.282 114.554 0.008 0.000 2.921 527 T HA 0.644 4.994 4.350 0.001 0.000 0.297 527 T C -1.411 173.300 174.700 0.018 0.000 1.013 527 T CA -0.768 61.337 62.100 0.008 0.000 0.990 527 T CB 0.601 69.469 68.868 0.001 0.000 1.023 527 T HN 0.660 nan 8.240 nan 0.000 0.447 528 N N 3.167 121.883 118.700 0.028 0.000 2.296 528 N HA 0.479 5.220 4.740 0.001 0.000 0.294 528 N C -1.069 174.460 175.510 0.032 0.000 1.033 528 N CA -0.525 52.546 53.050 0.036 0.000 0.839 528 N CB 2.365 40.890 38.487 0.064 0.000 1.395 528 N HN 0.635 nan 8.380 nan 0.000 0.479 529 T N 0.326 114.894 114.554 0.023 0.000 2.912 529 T HA 0.615 4.965 4.350 0.001 0.000 0.288 529 T C -0.312 174.399 174.700 0.017 0.000 1.030 529 T CA -0.514 61.598 62.100 0.019 0.000 1.020 529 T CB 1.825 70.700 68.868 0.012 0.000 1.056 529 T HN 0.134 nan 8.240 nan 0.000 0.480 530 V N 3.285 123.210 119.914 0.018 0.000 2.610 530 V HA 0.246 4.366 4.120 0.001 0.000 0.288 530 V C -0.008 176.093 176.094 0.011 0.000 1.055 530 V CA -0.953 61.354 62.300 0.011 0.000 0.902 530 V CB 1.632 33.464 31.823 0.014 0.000 1.030 530 V HN 0.830 nan 8.190 nan 0.000 0.448 531 N N 2.750 121.453 118.700 0.005 0.000 2.521 531 N HA 0.051 4.792 4.740 0.001 0.000 0.188 531 N C 0.947 176.460 175.510 0.005 0.000 1.146 531 N CA 0.827 53.880 53.050 0.006 0.000 0.893 531 N CB 0.992 39.480 38.487 0.003 0.000 0.975 531 N HN 0.791 nan 8.380 nan 0.000 0.451 532 G N 0.094 108.896 108.800 0.002 0.000 3.410 532 G HA2 0.242 4.202 3.960 0.001 0.000 0.189 532 G HA3 0.242 4.202 3.960 0.001 0.000 0.189 532 G C -0.357 174.547 174.900 0.006 0.000 1.404 532 G CA -0.344 44.757 45.100 0.000 0.000 0.898 532 G HN 0.069 nan 8.290 nan 0.000 0.650 533 N N 0.314 119.015 118.700 0.000 0.000 2.399 533 N HA 0.359 5.099 4.740 0.001 0.000 0.284 533 N C -1.493 174.015 175.510 -0.004 0.000 1.025 533 N CA -0.451 52.605 53.050 0.009 0.000 0.885 533 N CB 2.651 41.145 38.487 0.012 0.000 1.339 533 N HN 0.310 nan 8.380 nan 0.000 0.487 534 L N 1.578 122.811 121.223 0.016 0.000 2.305 534 L HA 0.507 4.848 4.340 0.001 0.000 0.281 534 L C 0.014 176.886 176.870 0.002 0.000 1.085 534 L CA 0.253 55.084 54.840 -0.014 0.000 0.813 534 L CB 1.022 43.120 42.059 0.064 0.000 1.157 534 L HN 0.505 nan 8.230 nan 0.000 0.436 535 S N 4.629 120.261 115.700 -0.113 0.000 2.677 535 S HA 0.586 5.056 4.470 0.001 0.000 0.283 535 S C -1.566 172.956 174.600 -0.130 0.000 1.159 535 S CA -0.557 57.624 58.200 -0.032 0.000 1.001 535 S CB 0.266 63.458 63.200 -0.014 0.000 1.032 535 S HN 0.557 nan 8.310 nan 0.000 0.487 536 W N 3.315 124.648 121.300 0.055 0.000 2.512 536 W HA 0.627 5.287 4.660 0.001 0.000 0.335 536 W C -0.020 176.527 176.519 0.046 0.000 1.088 536 W CA -0.687 56.691 57.345 0.056 0.000 1.236 536 W CB 1.223 30.732 29.460 0.082 0.000 1.307 536 W HN 0.459 nan 8.180 nan 0.000 0.567 537 K N 2.236 122.806 120.400 0.283 0.000 2.664 537 K HA 0.444 4.765 4.320 0.001 0.000 0.234 537 K C -1.490 175.214 176.600 0.173 0.000 0.980 537 K CA -0.514 55.877 56.287 0.175 0.000 0.996 537 K CB 1.578 34.135 32.500 0.095 0.000 1.190 537 K HN 0.157 nan 8.250 nan 0.000 0.479 538 V N 2.259 122.269 119.914 0.161 0.000 2.378 538 V HA 0.294 4.414 4.120 0.001 0.000 0.288 538 V C 0.897 177.034 176.094 0.073 0.000 1.016 538 V CA -0.496 61.875 62.300 0.119 0.000 0.840 538 V CB 1.284 33.171 31.823 0.107 0.000 0.994 538 V HN 0.888 nan 8.190 nan 0.000 0.431 539 A N 3.913 126.767 122.820 0.056 0.000 1.968 539 A HA 0.310 4.630 4.320 0.001 0.000 0.217 539 A C 1.435 179.035 177.584 0.027 0.000 1.169 539 A CA 1.297 53.357 52.037 0.039 0.000 0.638 539 A CB -0.274 18.746 19.000 0.032 0.000 0.812 539 A HN 0.912 nan 8.150 nan 0.000 0.446 540 G N -1.075 107.739 108.800 0.024 0.000 2.641 540 G HA2 0.433 4.394 3.960 0.001 0.000 0.239 540 G HA3 0.433 4.394 3.960 0.001 0.000 0.239 540 G C 0.404 175.308 174.900 0.007 0.000 1.402 540 G CA 0.342 45.449 45.100 0.012 0.000 1.046 540 G HN 0.492 nan 8.290 nan 0.000 0.565 541 T N -2.802 111.749 114.554 -0.004 0.000 2.766 541 T HA 0.451 4.802 4.350 0.001 0.000 0.295 541 T C -0.364 174.325 174.700 -0.019 0.000 1.024 541 T CA -0.371 61.723 62.100 -0.010 0.000 1.018 541 T CB 1.408 70.266 68.868 -0.016 0.000 1.002 541 T HN 0.499 nan 8.240 nan 0.000 0.532 542 V N 1.652 121.558 119.914 -0.014 0.000 2.567 542 V HA 0.462 4.583 4.120 0.001 0.000 0.298 542 V C -0.767 175.338 176.094 0.018 0.000 1.047 542 V CA -0.838 61.448 62.300 -0.024 0.000 0.880 542 V CB 1.558 33.397 31.823 0.026 0.000 1.009 542 V HN 1.112 nan 8.190 nan 0.000 0.429 543 D N 3.477 123.839 120.400 -0.063 0.000 2.619 543 D HA 0.476 5.116 4.640 0.001 0.000 0.241 543 D C -1.897 174.351 176.300 -0.087 0.000 1.087 543 D CA -0.385 53.618 54.000 0.006 0.000 0.851 543 D CB 2.466 43.251 40.800 -0.025 0.000 1.474 543 D HN 0.410 nan 8.370 nan 0.000 0.478 544 W N 2.226 123.521 121.300 -0.010 0.000 2.647 544 W HA 0.254 4.914 4.660 0.001 0.000 0.328 544 W C -0.584 175.965 176.519 0.050 0.000 1.018 544 W CA -0.724 56.650 57.345 0.048 0.000 1.245 544 W CB 1.489 31.036 29.460 0.145 0.000 1.356 544 W HN 0.159 nan 8.180 nan 0.000 0.443 545 D N 3.081 123.610 120.400 0.216 0.000 2.479 545 D HA 0.221 4.862 4.640 0.001 0.000 0.247 545 D C -1.390 175.015 176.300 0.175 0.000 1.119 545 D CA -0.228 53.865 54.000 0.155 0.000 0.922 545 D CB 1.016 41.860 40.800 0.073 0.000 1.014 545 D HN 0.167 nan 8.370 nan 0.000 0.510 546 V N 3.076 123.135 119.914 0.242 0.000 2.347 546 V HA 0.687 4.807 4.120 0.001 0.000 0.280 546 V C 0.957 177.144 176.094 0.155 0.000 1.021 546 V CA -0.386 62.047 62.300 0.222 0.000 0.847 546 V CB 1.268 33.295 31.823 0.340 0.000 0.990 546 V HN 0.470 nan 8.190 nan 0.000 0.444 547 G N 4.601 113.463 108.800 0.103 0.000 3.379 547 G HA2 0.548 4.509 3.960 0.001 0.000 0.253 547 G HA3 0.548 4.509 3.960 0.001 0.000 0.253 547 G C 0.352 175.293 174.900 0.067 0.000 1.262 547 G CA 0.383 45.529 45.100 0.076 0.000 0.959 547 G HN 1.226 nan 8.290 nan 0.000 0.524 548 G N -0.780 108.070 108.800 0.083 0.000 2.949 548 G HA2 0.469 4.430 3.960 0.001 0.000 0.285 548 G HA3 0.469 4.430 3.960 0.001 0.000 0.285 548 G C -1.625 173.329 174.900 0.090 0.000 1.395 548 G CA -0.694 44.445 45.100 0.066 0.000 0.901 548 G HN -0.023 nan 8.290 nan 0.000 0.519 549 D N 0.286 120.728 120.400 0.071 0.000 2.383 549 D HA 0.195 4.836 4.640 0.001 0.000 0.252 549 D C -0.598 175.781 176.300 0.132 0.000 1.166 549 D CA 0.176 54.233 54.000 0.095 0.000 0.879 549 D CB 0.894 41.730 40.800 0.060 0.000 1.164 549 D HN 0.264 nan 8.370 nan 0.000 0.462 550 W N 3.506 124.791 121.300 -0.025 0.000 2.376 550 W HA 0.414 5.075 4.660 0.001 0.000 0.312 550 W C -0.936 175.553 176.519 -0.050 0.000 1.060 550 W CA -0.677 56.639 57.345 -0.049 0.000 1.221 550 W CB 1.233 30.642 29.460 -0.084 0.000 1.281 550 W HN 0.176 nan 8.180 nan 0.000 0.456 551 T N 5.618 120.306 114.554 0.223 0.000 2.928 551 T HA 0.441 4.792 4.350 0.001 0.000 0.296 551 T C -1.043 173.741 174.700 0.141 0.000 1.000 551 T CA -0.413 61.809 62.100 0.203 0.000 0.989 551 T CB 1.225 70.140 68.868 0.078 0.000 1.005 551 T HN 0.598 nan 8.240 nan 0.000 0.442 552 E N 3.067 123.382 120.200 0.193 0.000 2.369 552 E HA 0.587 4.937 4.350 0.001 0.000 0.270 552 E C -1.321 175.328 176.600 0.082 0.000 0.909 552 E CA -1.211 55.270 56.400 0.135 0.000 0.775 552 E CB 2.234 32.074 29.700 0.233 0.000 1.270 552 E HN 0.446 nan 8.360 nan 0.000 0.445 553 K N 2.786 123.221 120.400 0.058 0.000 2.865 553 K HA 0.181 4.501 4.320 0.001 0.000 0.215 553 K C -0.213 176.409 176.600 0.037 0.000 1.120 553 K CA -0.474 55.837 56.287 0.040 0.000 1.037 553 K CB 0.864 33.381 32.500 0.029 0.000 1.233 553 K HN 0.601 nan 8.250 nan 0.000 0.577 554 M N 0.113 119.736 119.600 0.039 0.000 2.154 554 M HA 0.470 4.950 4.480 0.001 0.000 0.251 554 M C 0.688 177.004 176.300 0.027 0.000 1.200 554 M CA 0.198 55.520 55.300 0.037 0.000 0.967 554 M CB 0.041 32.666 32.600 0.041 0.000 1.362 554 M HN 0.275 nan 8.290 nan 0.000 0.522 555 A N -0.261 122.575 122.820 0.026 0.000 2.044 555 A HA 0.336 4.656 4.320 0.001 0.000 0.213 555 A C 1.129 178.724 177.584 0.017 0.000 1.169 555 A CA 0.836 52.885 52.037 0.020 0.000 0.724 555 A CB 0.039 19.051 19.000 0.020 0.000 0.840 555 A HN 0.856 nan 8.150 nan 0.000 0.463 556 S N -2.315 113.397 115.700 0.020 0.000 2.636 556 S HA 0.679 5.150 4.470 0.001 0.000 0.268 556 S C -1.629 172.983 174.600 0.020 0.000 1.159 556 S CA -0.214 57.996 58.200 0.017 0.000 0.815 556 S CB 1.393 64.602 63.200 0.016 0.000 1.130 556 S HN 0.833 nan 8.310 nan 0.000 0.471 557 M N 2.649 122.258 119.600 0.015 0.000 2.307 557 M HA 0.554 5.034 4.480 0.001 0.000 0.279 557 M C -2.016 174.291 176.300 0.012 0.000 1.080 557 M CA 0.012 55.322 55.300 0.017 0.000 0.964 557 M CB 1.839 34.446 32.600 0.011 0.000 1.825 557 M HN 0.601 nan 8.290 nan 0.000 0.489 558 S N 2.349 118.062 115.700 0.022 0.000 2.733 558 S HA 0.732 5.202 4.470 0.001 0.000 0.294 558 S C -1.044 173.582 174.600 0.044 0.000 1.149 558 S CA -0.570 57.643 58.200 0.021 0.000 1.034 558 S CB 1.570 64.783 63.200 0.022 0.000 1.015 558 S HN 0.831 nan 8.310 nan 0.000 0.486 559 S N 4.698 120.431 115.700 0.055 0.000 2.516 559 S HA 0.471 4.941 4.470 0.001 0.000 0.268 559 S C -0.401 174.306 174.600 0.178 0.000 1.251 559 S CA -0.762 57.522 58.200 0.139 0.000 1.153 559 S CB -0.380 62.959 63.200 0.231 0.000 1.009 559 S HN 0.699 nan 8.310 nan 0.000 0.479 560 I N 3.922 124.571 120.570 0.132 0.000 2.312 560 I HA 0.283 4.453 4.170 0.001 0.000 0.291 560 I C 0.719 176.924 176.117 0.147 0.000 1.031 560 I CA -0.278 61.093 61.300 0.118 0.000 1.293 560 I CB 0.836 38.876 38.000 0.066 0.000 1.403 560 I HN 0.511 nan 8.210 nan 0.000 0.484 561 S N 3.906 119.733 115.700 0.210 0.000 2.457 561 S HA 0.163 4.634 4.470 0.001 0.000 0.289 561 S C 1.172 175.825 174.600 0.089 0.000 1.163 561 S CA -0.370 57.925 58.200 0.159 0.000 1.078 561 S CB 1.055 64.425 63.200 0.284 0.000 0.987 561 S HN 0.672 nan 8.310 nan 0.000 0.482 562 S N 3.576 119.304 115.700 0.048 0.000 2.428 562 S HA 0.196 4.666 4.470 0.001 0.000 0.230 562 S C 0.969 175.589 174.600 0.032 0.000 1.014 562 S CA 1.226 59.447 58.200 0.035 0.000 0.957 562 S CB -0.490 62.724 63.200 0.023 0.000 0.784 562 S HN 0.904 nan 8.310 nan 0.000 0.499 563 G N -0.054 108.765 108.800 0.031 0.000 3.302 563 G HA2 0.458 4.418 3.960 0.001 0.000 0.170 563 G HA3 0.458 4.418 3.960 0.001 0.000 0.170 563 G C -0.940 173.987 174.900 0.046 0.000 1.119 563 G CA -0.463 44.653 45.100 0.028 0.000 0.826 563 G HN 0.347 nan 8.290 nan 0.000 0.646 564 Q N -0.575 119.243 119.800 0.031 0.000 2.392 564 Q HA 0.427 4.767 4.340 0.001 0.000 0.262 564 Q C -1.645 174.397 176.000 0.070 0.000 1.003 564 Q CA 0.032 55.864 55.803 0.049 0.000 0.888 564 Q CB 0.518 29.269 28.738 0.022 0.000 1.260 564 Q HN 0.462 nan 8.270 nan 0.000 0.435 565 Y N 1.770 122.058 120.300 -0.020 0.000 2.406 565 Y HA 0.559 5.109 4.550 0.001 0.000 0.340 565 Y C -1.133 174.748 175.900 -0.032 0.000 0.975 565 Y CA -0.578 57.505 58.100 -0.029 0.000 1.056 565 Y CB 2.020 40.463 38.460 -0.030 0.000 1.210 565 Y HN 0.666 nan 8.280 nan 0.000 0.448 566 T N 6.416 121.110 114.554 0.233 0.000 2.909 566 T HA 0.637 4.988 4.350 0.001 0.000 0.299 566 T C -1.183 173.591 174.700 0.124 0.000 1.073 566 T CA -0.660 61.526 62.100 0.144 0.000 0.999 566 T CB 1.724 70.616 68.868 0.041 0.000 1.098 566 T HN 0.468 nan 8.240 nan 0.000 0.477 567 I N 1.729 122.344 120.570 0.075 0.000 2.607 567 I HA 0.516 4.686 4.170 0.001 0.000 0.290 567 I C -1.205 174.916 176.117 0.005 0.000 1.129 567 I CA -0.657 60.662 61.300 0.033 0.000 1.042 567 I CB 2.389 40.407 38.000 0.031 0.000 1.242 567 I HN 0.561 nan 8.210 nan 0.000 0.421 568 D N 2.822 123.216 120.400 -0.009 0.000 2.652 568 D HA 0.861 5.501 4.640 0.001 0.000 0.285 568 D C -0.809 175.482 176.300 -0.015 0.000 1.173 568 D CA -0.079 53.915 54.000 -0.010 0.000 0.981 568 D CB 2.937 43.732 40.800 -0.008 0.000 1.440 568 D HN 0.828 nan 8.370 nan 0.000 0.485 569 G N -1.183 107.611 108.800 -0.011 0.000 2.329 569 G HA2 0.491 4.452 3.960 0.001 0.000 0.308 569 G HA3 0.491 4.452 3.960 0.001 0.000 0.308 569 G C 0.715 175.611 174.900 -0.007 0.000 1.587 569 G CA 0.630 45.723 45.100 -0.010 0.000 0.978 569 G HN 0.714 nan 8.290 nan 0.000 0.685 570 S N 0.067 115.765 115.700 -0.003 0.000 2.426 570 S HA -0.131 4.339 4.470 0.001 0.000 0.259 570 S C 1.401 175.999 174.600 -0.003 0.000 1.096 570 S CA 2.704 60.903 58.200 -0.002 0.000 1.219 570 S CB -0.111 63.090 63.200 0.001 0.000 1.124 570 S HN 1.231 nan 8.310 nan 0.000 0.436 571 R N -1.012 119.486 120.500 -0.005 0.000 2.869 571 R HA 0.806 5.146 4.340 0.001 0.000 0.263 571 R C -2.071 174.223 176.300 -0.010 0.000 1.066 571 R CA -0.688 55.408 56.100 -0.006 0.000 0.960 571 R CB 1.054 31.352 30.300 -0.004 0.000 1.221 571 R HN 0.379 nan 8.270 nan 0.000 0.474 572 I N 2.011 122.574 120.570 -0.011 0.000 2.563 572 I HA 0.238 4.409 4.170 0.001 0.000 0.285 572 I C -1.598 174.510 176.117 -0.016 0.000 1.123 572 I CA -0.809 60.481 61.300 -0.016 0.000 1.059 572 I CB 2.210 40.198 38.000 -0.019 0.000 1.229 572 I HN 0.513 nan 8.210 nan 0.000 0.442 573 D N 6.977 127.368 120.400 -0.016 0.000 2.168 573 D HA 0.637 5.277 4.640 0.001 0.000 0.246 573 D C -0.007 176.281 176.300 -0.020 0.000 1.050 573 D CA 0.007 53.998 54.000 -0.015 0.000 0.857 573 D CB 2.267 43.060 40.800 -0.011 0.000 1.169 573 D HN 0.367 nan 8.370 nan 0.000 0.453 574 I N 1.604 122.162 120.570 -0.021 0.000 2.857 574 I HA 0.230 4.400 4.170 0.001 0.000 0.314 574 I C 1.045 177.149 176.117 -0.021 0.000 1.527 574 I CA -0.354 60.931 61.300 -0.025 0.000 0.786 574 I CB 0.864 38.844 38.000 -0.033 0.000 2.127 574 I HN 0.659 nan 8.210 nan 0.000 0.596 575 G N 2.437 111.228 108.800 -0.016 0.000 2.435 575 G HA2 -0.320 3.640 3.960 0.001 0.000 0.245 575 G HA3 -0.320 3.640 3.960 0.001 0.000 0.245 575 G C 0.332 175.224 174.900 -0.013 0.000 1.073 575 G CA 0.571 45.663 45.100 -0.013 0.000 0.638 575 G HN 0.705 nan 8.290 nan 0.000 0.521 576 S N -0.181 115.510 115.700 -0.015 0.000 2.561 576 S HA 0.701 5.171 4.470 0.001 0.000 0.303 576 S C -0.250 174.342 174.600 -0.014 0.000 1.110 576 S CA -0.179 58.013 58.200 -0.014 0.000 1.034 576 S CB 2.515 65.706 63.200 -0.015 0.000 1.010 576 S HN 1.081 nan 8.310 nan 0.000 0.482 577 V N 4.009 123.916 119.914 -0.011 0.000 2.529 577 V HA 0.185 4.305 4.120 0.001 0.000 0.292 577 V C 0.017 176.105 176.094 -0.011 0.000 1.028 577 V CA 0.261 62.554 62.300 -0.010 0.000 1.074 577 V CB -0.015 31.803 31.823 -0.008 0.000 0.958 577 V HN 0.898 nan 8.190 nan 0.000 0.481 578 D N 0.000 120.393 120.400 -0.012 0.000 6.856 578 D HA 0.000 4.640 4.640 0.001 0.000 0.175 578 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 578 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 578 D HN 0.000 nan 8.370 nan 0.000 0.683