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 1h8h_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.587 177.584 0.004 0.000 1.274 19 A CA 0.000 52.039 52.037 0.004 0.000 0.836 19 A CB 0.000 19.002 19.000 0.004 0.000 0.831 20 D N 3.030 123.433 120.400 0.005 0.000 2.342 20 D HA 0.240 4.880 4.640 0.000 0.000 0.260 20 D C 1.343 177.647 176.300 0.006 0.000 1.278 20 D CA 1.214 55.217 54.000 0.006 0.000 0.910 20 D CB 0.816 41.620 40.800 0.007 0.000 1.079 20 D HN 0.562 nan 8.370 nan 0.000 0.496 21 T N -0.676 113.881 114.554 0.005 0.000 3.134 21 T HA 0.009 4.359 4.350 0.000 0.000 0.260 21 T C 1.581 176.283 174.700 0.003 0.000 1.027 21 T CA 0.120 62.223 62.100 0.004 0.000 0.913 21 T CB -0.140 68.729 68.868 0.003 0.000 1.046 21 T HN 0.197 nan 8.240 nan 0.000 0.553 22 S N 0.606 116.308 115.700 0.004 0.000 2.474 22 S HA 0.056 4.526 4.470 0.000 0.000 0.235 22 S C 0.867 175.469 174.600 0.004 0.000 0.997 22 S CA 0.018 58.220 58.200 0.003 0.000 0.949 22 S CB -0.370 62.833 63.200 0.005 0.000 0.766 22 S HN 0.350 nan 8.310 nan 0.000 0.517 23 V N 4.063 123.981 119.914 0.006 0.000 2.446 23 V HA 0.233 4.353 4.120 0.000 0.000 0.257 23 V C -0.443 175.657 176.094 0.010 0.000 1.036 23 V CA -0.877 61.428 62.300 0.009 0.000 1.196 23 V CB 0.108 31.939 31.823 0.014 0.000 1.446 23 V HN 0.567 nan 8.190 nan 0.000 0.558 24 D N 1.769 122.171 120.400 0.003 0.000 2.255 24 D HA 0.145 4.785 4.640 0.000 0.000 0.249 24 D C 0.848 177.146 176.300 -0.004 0.000 1.078 24 D CA -0.593 53.408 54.000 0.002 0.000 0.896 24 D CB 2.442 43.240 40.800 -0.002 0.000 1.194 24 D HN 0.274 nan 8.370 nan 0.000 0.429 25 L N 0.914 122.135 121.223 -0.003 0.000 2.711 25 L HA -0.038 4.302 4.340 0.000 0.000 0.242 25 L C 1.688 178.529 176.870 -0.048 0.000 1.153 25 L CA 0.490 55.315 54.840 -0.025 0.000 0.898 25 L CB -0.517 41.528 42.059 -0.023 0.000 1.044 25 L HN 0.461 nan 8.230 nan 0.000 0.437 26 E N -0.340 119.840 120.200 -0.033 0.000 2.162 26 E HA -0.037 4.313 4.350 0.000 0.000 0.193 26 E C 1.390 177.969 176.600 -0.035 0.000 0.953 26 E CA 0.333 56.712 56.400 -0.036 0.000 0.849 26 E CB 0.398 30.083 29.700 -0.025 0.000 0.810 26 E HN 0.331 nan 8.360 nan 0.000 0.470 27 E N 0.428 120.611 120.200 -0.029 0.000 2.498 27 E HA 0.055 4.405 4.350 0.000 0.000 0.203 27 E C 0.426 177.005 176.600 -0.036 0.000 1.013 27 E CA 0.430 56.812 56.400 -0.030 0.000 0.927 27 E CB 1.194 30.881 29.700 -0.021 0.000 1.012 27 E HN 0.221 nan 8.360 nan 0.000 0.482 28 T N -2.705 111.828 114.554 -0.034 0.000 2.841 28 T HA 0.770 5.120 4.350 0.000 0.000 0.296 28 T C 0.183 174.863 174.700 -0.032 0.000 1.166 28 T CA -0.603 61.476 62.100 -0.035 0.000 1.007 28 T CB 2.493 71.350 68.868 -0.018 0.000 1.253 28 T HN -0.015 nan 8.240 nan 0.000 0.511 29 G N -0.067 108.717 108.800 -0.027 0.000 2.727 29 G HA2 0.703 4.663 3.960 0.000 0.000 0.289 29 G HA3 0.703 4.663 3.960 0.000 0.000 0.289 29 G C -1.746 173.183 174.900 0.048 0.000 1.418 29 G CA -1.182 43.921 45.100 0.005 0.000 0.818 29 G HN 0.796 nan 8.290 nan 0.000 0.486 30 R N -0.586 119.979 120.500 0.108 0.000 2.561 30 R HA 0.508 4.848 4.340 0.000 0.000 0.297 30 R C -0.699 175.672 176.300 0.118 0.000 0.969 30 R CA -0.674 55.491 56.100 0.108 0.000 0.879 30 R CB 2.522 32.883 30.300 0.101 0.000 1.178 30 R HN 0.311 nan 8.270 nan 0.000 0.445 31 V N 5.765 125.749 119.914 0.116 0.000 2.458 31 V HA -0.058 4.062 4.120 0.000 0.000 0.287 31 V C 1.500 177.639 176.094 0.075 0.000 1.009 31 V CA 0.576 62.948 62.300 0.120 0.000 1.091 31 V CB 0.281 32.187 31.823 0.138 0.000 0.960 31 V HN 0.764 nan 8.190 nan 0.000 0.476 32 L N 4.128 125.394 121.223 0.071 0.000 2.072 32 L HA 0.042 4.382 4.340 0.000 0.000 0.205 32 L C 0.998 177.883 176.870 0.024 0.000 1.079 32 L CA 1.171 56.035 54.840 0.039 0.000 0.752 32 L CB -0.023 42.064 42.059 0.046 0.000 0.906 32 L HN 0.865 nan 8.230 nan 0.000 0.436 33 S N -1.462 114.256 115.700 0.030 0.000 2.565 33 S HA 0.633 5.103 4.470 0.000 0.000 0.269 33 S C -1.096 173.510 174.600 0.010 0.000 1.153 33 S CA -0.856 57.352 58.200 0.013 0.000 0.835 33 S CB 2.558 65.762 63.200 0.007 0.000 1.122 33 S HN -0.011 nan 8.310 nan 0.000 0.462 34 I N -0.033 120.531 120.570 -0.011 0.000 2.692 34 I HA 0.863 5.033 4.170 0.000 0.000 0.293 34 I C -0.628 175.465 176.117 -0.039 0.000 1.200 34 I CA 0.281 61.562 61.300 -0.032 0.000 1.036 34 I CB 1.665 39.629 38.000 -0.060 0.000 1.258 34 I HN 1.403 nan 8.210 nan 0.000 0.421 35 G N 4.955 113.729 108.800 -0.044 0.000 2.405 35 G HA2 0.430 4.390 3.960 0.000 0.000 0.312 35 G HA3 0.430 4.390 3.960 0.000 0.000 0.312 35 G C -1.276 173.599 174.900 -0.042 0.000 1.579 35 G CA -0.458 44.618 45.100 -0.040 0.000 0.933 35 G HN 0.761 nan 8.290 nan 0.000 0.628 36 D N 0.492 120.867 120.400 -0.041 0.000 2.723 36 D HA -0.177 4.463 4.640 0.000 0.000 0.236 36 D C 1.588 177.861 176.300 -0.045 0.000 1.138 36 D CA 2.596 56.573 54.000 -0.039 0.000 0.676 36 D CB -1.143 39.636 40.800 -0.036 0.000 1.069 36 D HN 2.260 nan 8.370 nan 0.000 0.430 37 G N -0.748 108.017 108.800 -0.057 0.000 2.153 37 G HA2 -0.297 3.663 3.960 0.000 0.000 0.252 37 G HA3 -0.297 3.663 3.960 0.000 0.000 0.252 37 G C 0.172 175.032 174.900 -0.068 0.000 0.994 37 G CA 0.383 45.443 45.100 -0.068 0.000 0.698 37 G HN 0.492 nan 8.290 nan 0.000 0.521 38 I N 0.701 121.237 120.570 -0.056 0.000 2.418 38 I HA 0.693 4.863 4.170 0.000 0.000 0.287 38 I C 0.390 176.498 176.117 -0.015 0.000 1.008 38 I CA -1.100 60.178 61.300 -0.037 0.000 1.104 38 I CB 1.292 39.271 38.000 -0.036 0.000 1.264 38 I HN 0.325 nan 8.210 nan 0.000 0.438 39 A N 7.556 130.394 122.820 0.030 0.000 2.330 39 A HA 0.739 5.059 4.320 0.000 0.000 0.327 39 A C -0.144 177.486 177.584 0.076 0.000 1.155 39 A CA -0.741 51.339 52.037 0.073 0.000 0.803 39 A CB 1.121 20.234 19.000 0.187 0.000 1.208 39 A HN 0.561 nan 8.150 nan 0.000 0.477 40 R N 2.301 122.837 120.500 0.061 0.000 2.280 40 R HA 0.356 4.696 4.340 0.000 0.000 0.326 40 R C -1.002 175.342 176.300 0.074 0.000 1.080 40 R CA -0.231 55.900 56.100 0.053 0.000 1.002 40 R CB 0.747 31.069 30.300 0.035 0.000 1.136 40 R HN 0.480 nan 8.270 nan 0.000 0.509 41 V N 3.599 123.556 119.914 0.072 0.000 2.432 41 V HA 0.117 4.237 4.120 0.000 0.000 0.275 41 V C 0.450 176.592 176.094 0.081 0.000 1.043 41 V CA -0.807 61.540 62.300 0.079 0.000 0.925 41 V CB 1.017 32.864 31.823 0.041 0.000 0.985 41 V HN 0.628 nan 8.190 nan 0.000 0.466 42 H N 3.421 122.498 119.070 0.011 0.000 2.562 42 H HA 0.632 5.188 4.556 0.000 0.000 0.352 42 H C 0.607 175.934 175.328 -0.002 0.000 1.125 42 H CA 1.272 57.322 56.048 0.004 0.000 1.379 42 H CB 1.078 30.844 29.762 0.007 0.000 1.464 42 H HN 1.043 nan 8.280 nan 0.000 0.563 43 G N 2.630 111.078 108.800 -0.585 0.000 2.503 43 G HA2 -0.223 3.737 3.960 0.000 0.000 0.235 43 G HA3 -0.223 3.737 3.960 0.000 0.000 0.235 43 G C -0.218 174.575 174.900 -0.177 0.000 1.179 43 G CA -0.421 44.474 45.100 -0.341 0.000 0.944 43 G HN 1.211 nan 8.290 nan 0.000 0.580 44 L N -0.185 120.973 121.223 -0.107 0.000 3.762 44 L HA -0.198 4.143 4.340 0.000 0.000 0.460 44 L C 2.144 178.968 176.870 -0.076 0.000 1.255 44 L CA 0.745 55.536 54.840 -0.080 0.000 0.783 44 L CB -0.678 41.335 42.059 -0.076 0.000 1.600 44 L HN 0.665 nan 8.230 nan 0.000 0.862 45 R N 0.264 120.718 120.500 -0.076 0.000 2.189 45 R HA -0.026 4.314 4.340 0.000 0.000 0.223 45 R C 1.255 177.528 176.300 -0.045 0.000 1.092 45 R CA 1.089 57.150 56.100 -0.065 0.000 0.989 45 R CB -0.044 30.217 30.300 -0.065 0.000 0.876 45 R HN 0.606 nan 8.270 nan 0.000 0.457 46 N N 0.085 118.761 118.700 -0.039 0.000 2.205 46 N HA 0.014 4.754 4.740 0.000 0.000 0.201 46 N C 0.220 175.713 175.510 -0.028 0.000 1.128 46 N CA 0.011 53.044 53.050 -0.029 0.000 0.867 46 N CB 0.488 38.960 38.487 -0.024 0.000 0.996 46 N HN -0.041 nan 8.380 nan 0.000 0.503 47 V N -0.132 119.761 119.914 -0.034 0.000 2.763 47 V HA 0.062 4.182 4.120 0.000 0.000 0.306 47 V C 0.426 176.508 176.094 -0.020 0.000 1.059 47 V CA -0.481 61.800 62.300 -0.030 0.000 1.138 47 V CB 0.230 32.031 31.823 -0.038 0.000 0.940 47 V HN 0.089 nan 8.190 nan 0.000 0.489 48 Q N 2.351 122.143 119.800 -0.012 0.000 2.205 48 Q HA 0.713 5.053 4.340 0.000 0.000 0.249 48 Q C 0.110 176.110 176.000 0.001 0.000 0.948 48 Q CA -0.559 55.241 55.803 -0.004 0.000 0.895 48 Q CB 1.609 30.348 28.738 0.001 0.000 1.249 48 Q HN 1.091 nan 8.270 nan 0.000 0.458 49 A N 1.451 124.275 122.820 0.007 0.000 2.488 49 A HA 0.096 4.416 4.320 0.000 0.000 0.249 49 A C 0.050 177.647 177.584 0.022 0.000 1.083 49 A CA 0.187 52.233 52.037 0.014 0.000 0.768 49 A CB -0.250 18.761 19.000 0.019 0.000 1.017 49 A HN 0.948 nan 8.150 nan 0.000 0.496 50 E N -0.587 119.631 120.200 0.030 0.000 3.413 50 E HA -0.194 4.156 4.350 0.000 0.000 0.300 50 E C 0.082 176.711 176.600 0.048 0.000 0.891 50 E CA 1.168 57.596 56.400 0.047 0.000 1.050 50 E CB -1.413 28.312 29.700 0.042 0.000 1.534 50 E HN 0.913 nan 8.360 nan 0.000 0.436 51 E N 0.808 121.027 120.200 0.032 0.000 2.313 51 E HA 0.316 4.666 4.350 0.000 0.000 0.276 51 E C -0.030 176.594 176.600 0.039 0.000 1.031 51 E CA -0.443 55.973 56.400 0.028 0.000 0.857 51 E CB 0.744 30.447 29.700 0.005 0.000 1.040 51 E HN 0.109 nan 8.360 nan 0.000 0.408 52 M N 5.059 124.693 119.600 0.056 0.000 2.238 52 M HA 0.180 4.660 4.480 0.000 0.000 0.347 52 M C -1.063 175.244 176.300 0.012 0.000 1.173 52 M CA -0.155 55.192 55.300 0.078 0.000 1.147 52 M CB 0.802 33.462 32.600 0.101 0.000 1.547 52 M HN 0.339 nan 8.290 nan 0.000 0.455 53 V N 1.283 121.180 119.914 -0.028 0.000 3.155 53 V HA 0.753 4.873 4.120 0.000 0.000 0.313 53 V C -0.923 175.084 176.094 -0.145 0.000 1.162 53 V CA -0.939 61.286 62.300 -0.126 0.000 1.048 53 V CB 2.014 33.697 31.823 -0.233 0.000 1.092 53 V HN 0.863 nan 8.190 nan 0.000 0.447 54 E N 0.229 120.303 120.200 -0.210 0.000 2.266 54 E HA 0.601 4.951 4.350 0.000 0.000 0.268 54 E C -1.949 174.521 176.600 -0.216 0.000 0.879 54 E CA -0.420 55.908 56.400 -0.120 0.000 0.762 54 E CB 2.672 32.354 29.700 -0.029 0.000 1.199 54 E HN 0.575 nan 8.360 nan 0.000 0.422 55 F N 0.701 120.669 119.950 0.029 0.000 2.425 55 F HA 0.155 4.682 4.527 0.000 0.000 0.331 55 F C 1.719 177.532 175.800 0.021 0.000 1.085 55 F CA -0.249 57.764 58.000 0.022 0.000 1.028 55 F CB 1.712 40.724 39.000 0.020 0.000 1.177 55 F HN 0.462 nan 8.300 nan 0.000 0.487 56 S N 0.670 116.511 115.700 0.233 0.000 2.426 56 S HA -0.295 4.175 4.470 0.000 0.000 0.253 56 S C 1.906 176.574 174.600 0.113 0.000 1.104 56 S CA 2.300 60.580 58.200 0.133 0.000 1.158 56 S CB -0.561 62.707 63.200 0.112 0.000 1.043 56 S HN 0.703 nan 8.310 nan 0.000 0.443 57 S N 0.095 115.872 115.700 0.129 0.000 2.547 57 S HA 0.290 4.760 4.470 0.000 0.000 0.235 57 S C 1.717 176.372 174.600 0.091 0.000 0.980 57 S CA 0.747 59.000 58.200 0.089 0.000 0.941 57 S CB -0.160 63.077 63.200 0.062 0.000 0.763 57 S HN 0.905 nan 8.310 nan 0.000 0.532 58 G N 0.335 109.205 108.800 0.116 0.000 2.232 58 G HA2 -0.221 3.739 3.960 0.000 0.000 0.226 58 G HA3 -0.221 3.739 3.960 0.000 0.000 0.226 58 G C -0.051 174.928 174.900 0.132 0.000 0.996 58 G CA -0.144 45.016 45.100 0.099 0.000 0.626 58 G HN 0.396 nan 8.290 nan 0.000 0.509 59 L N 1.827 123.152 121.223 0.171 0.000 2.499 59 L HA 0.497 4.837 4.340 0.000 0.000 0.273 59 L C 0.795 177.864 176.870 0.332 0.000 1.195 59 L CA 0.623 55.593 54.840 0.218 0.000 0.882 59 L CB 0.480 42.639 42.059 0.167 0.000 1.133 59 L HN 0.291 nan 8.230 nan 0.000 0.483 60 K N 2.033 122.617 120.400 0.306 0.000 2.095 60 K HA 0.776 5.097 4.320 0.000 0.000 0.252 60 K C -0.160 176.656 176.600 0.360 0.000 0.977 60 K CA -0.431 56.046 56.287 0.317 0.000 0.900 60 K CB 1.472 34.157 32.500 0.308 0.000 1.060 60 K HN 0.799 nan 8.250 nan 0.000 0.449 61 G N 0.838 109.769 108.800 0.218 0.000 2.690 61 G HA2 0.522 4.482 3.960 0.000 0.000 0.293 61 G HA3 0.522 4.482 3.960 0.000 0.000 0.293 61 G C -1.744 173.122 174.900 -0.057 0.000 1.399 61 G CA -0.742 44.391 45.100 0.055 0.000 0.890 61 G HN 0.498 nan 8.290 nan 0.000 0.485 62 M N 1.240 120.708 119.600 -0.219 0.000 2.294 62 M HA 0.525 5.005 4.480 0.000 0.000 0.335 62 M C -0.122 176.150 176.300 -0.046 0.000 1.079 62 M CA -0.578 54.683 55.300 -0.065 0.000 0.982 62 M CB 1.780 34.367 32.600 -0.022 0.000 1.651 62 M HN 0.400 nan 8.290 nan 0.000 0.437 63 S N 4.578 120.271 115.700 -0.012 0.000 2.700 63 S HA 0.185 4.655 4.470 0.000 0.000 0.321 63 S C 0.683 175.284 174.600 0.002 0.000 1.161 63 S CA -0.468 57.723 58.200 -0.014 0.000 1.078 63 S CB -0.037 63.154 63.200 -0.016 0.000 1.302 63 S HN 0.642 nan 8.310 nan 0.000 0.540 64 L N 3.794 125.015 121.223 -0.003 0.000 2.425 64 L HA 0.388 4.728 4.340 0.000 0.000 0.215 64 L C 0.343 177.219 176.870 0.010 0.000 1.065 64 L CA 0.959 55.805 54.840 0.011 0.000 0.842 64 L CB -0.675 41.385 42.059 0.002 0.000 1.033 64 L HN 0.383 nan 8.230 nan 0.000 0.474 65 N N 0.129 118.829 118.700 0.000 0.000 2.511 65 N HA 0.367 5.108 4.740 0.000 0.000 0.249 65 N C -0.954 174.556 175.510 -0.002 0.000 0.971 65 N CA -0.036 53.014 53.050 0.001 0.000 0.938 65 N CB 0.949 39.434 38.487 -0.004 0.000 1.131 65 N HN -0.051 nan 8.380 nan 0.000 0.505 66 L N 2.408 123.631 121.223 -0.000 0.000 2.288 66 L HA 0.375 4.715 4.340 0.000 0.000 0.283 66 L C 0.407 177.274 176.870 -0.005 0.000 1.072 66 L CA -0.325 54.511 54.840 -0.006 0.000 0.862 66 L CB 0.230 42.284 42.059 -0.007 0.000 1.245 66 L HN 0.381 nan 8.230 nan 0.000 0.432 67 E N 3.524 123.721 120.200 -0.005 0.000 2.267 67 E HA 0.284 4.634 4.350 0.000 0.000 0.258 67 E C -1.646 174.950 176.600 -0.006 0.000 1.074 67 E CA -1.836 54.562 56.400 -0.003 0.000 0.915 67 E CB 0.949 30.650 29.700 0.001 0.000 1.186 67 E HN 0.255 nan 8.360 nan 0.000 0.439 68 P HA -0.177 nan 4.420 nan 0.000 0.216 68 P C 0.348 177.644 177.300 -0.005 0.000 1.150 68 P CA 1.447 64.544 63.100 -0.005 0.000 0.837 68 P CB 0.149 31.850 31.700 0.001 0.000 0.786 69 D N -2.341 118.063 120.400 0.006 0.000 2.540 69 D HA 0.072 4.712 4.640 0.000 0.000 0.229 69 D C -0.014 176.307 176.300 0.035 0.000 1.250 69 D CA -0.202 53.813 54.000 0.025 0.000 0.817 69 D CB -0.362 40.468 40.800 0.049 0.000 1.060 69 D HN 0.340 nan 8.370 nan 0.000 0.508 70 N N -1.589 117.117 118.700 0.010 0.000 3.116 70 N HA 0.406 5.146 4.740 0.000 0.000 0.244 70 N C -2.035 173.473 175.510 -0.003 0.000 1.485 70 N CA -0.936 52.123 53.050 0.016 0.000 0.884 70 N CB 1.736 40.245 38.487 0.037 0.000 1.415 70 N HN -0.195 nan 8.380 nan 0.000 0.524 71 V N 0.008 119.922 119.914 0.001 0.000 2.482 71 V HA 0.705 4.825 4.120 0.000 0.000 0.295 71 V C 0.247 176.345 176.094 0.006 0.000 1.026 71 V CA -0.644 61.653 62.300 -0.006 0.000 0.856 71 V CB 1.255 33.065 31.823 -0.021 0.000 1.001 71 V HN 0.901 nan 8.190 nan 0.000 0.424 72 G N 4.220 113.021 108.800 0.002 0.000 2.365 72 G HA2 0.493 4.453 3.960 0.000 0.000 0.293 72 G HA3 0.493 4.453 3.960 0.000 0.000 0.293 72 G C -0.476 174.424 174.900 -0.000 0.000 1.128 72 G CA -0.109 44.993 45.100 0.004 0.000 0.971 72 G HN 0.513 nan 8.290 nan 0.000 0.422 73 V N 3.014 122.942 119.914 0.023 0.000 2.532 73 V HA 0.356 4.476 4.120 0.000 0.000 0.295 73 V C 0.092 176.189 176.094 0.005 0.000 1.041 73 V CA -0.769 61.544 62.300 0.021 0.000 0.926 73 V CB 1.967 33.835 31.823 0.076 0.000 0.992 73 V HN 0.411 nan 8.190 nan 0.000 0.457 74 V N 4.965 124.833 119.914 -0.077 0.000 2.347 74 V HA 0.302 4.422 4.120 0.000 0.000 0.280 74 V C -0.070 175.879 176.094 -0.241 0.000 1.021 74 V CA -0.427 61.779 62.300 -0.156 0.000 0.847 74 V CB 1.960 33.665 31.823 -0.196 0.000 0.990 74 V HN 0.666 nan 8.190 nan 0.000 0.444 75 V N 6.552 126.381 119.914 -0.142 0.000 2.521 75 V HA 0.153 4.273 4.120 0.000 0.000 0.286 75 V C 0.576 176.595 176.094 -0.125 0.000 1.034 75 V CA -0.053 62.189 62.300 -0.097 0.000 1.045 75 V CB 0.433 32.188 31.823 -0.113 0.000 0.974 75 V HN 0.746 nan 8.190 nan 0.000 0.480 76 F N 4.044 124.071 119.950 0.128 0.000 2.740 76 F HA 0.485 5.012 4.527 0.000 0.000 0.294 76 F C 1.250 177.095 175.800 0.076 0.000 1.225 76 F CA 0.385 58.448 58.000 0.105 0.000 1.426 76 F CB -0.352 38.715 39.000 0.111 0.000 1.021 76 F HN 0.720 nan 8.300 nan 0.000 0.508 77 G N -0.548 108.354 108.800 0.170 0.000 2.510 77 G HA2 0.053 4.013 3.960 0.000 0.000 0.277 77 G HA3 0.053 4.013 3.960 0.000 0.000 0.277 77 G C -1.299 173.625 174.900 0.039 0.000 1.223 77 G CA -0.916 44.250 45.100 0.111 0.000 0.887 77 G HN -0.101 nan 8.290 nan 0.000 0.485 78 N N 2.023 120.735 118.700 0.020 0.000 2.402 78 N HA 0.109 4.849 4.740 0.000 0.000 0.259 78 N C 0.762 176.237 175.510 -0.057 0.000 1.167 78 N CA 0.192 53.236 53.050 -0.010 0.000 0.949 78 N CB 0.585 39.071 38.487 -0.002 0.000 1.212 78 N HN 0.532 nan 8.380 nan 0.000 0.493 79 D N 2.771 123.120 120.400 -0.085 0.000 2.352 79 D HA -0.133 4.507 4.640 0.000 0.000 0.232 79 D C 1.009 177.233 176.300 -0.126 0.000 1.055 79 D CA 0.162 54.070 54.000 -0.155 0.000 0.891 79 D CB 0.138 40.840 40.800 -0.165 0.000 0.897 79 D HN 0.678 nan 8.370 nan 0.000 0.529 80 K N 1.035 121.387 120.400 -0.079 0.000 2.283 80 K HA -0.092 4.228 4.320 0.000 0.000 0.202 80 K C 1.821 178.382 176.600 -0.065 0.000 1.048 80 K CA 0.546 56.796 56.287 -0.060 0.000 0.948 80 K CB -0.287 32.191 32.500 -0.036 0.000 0.742 80 K HN 0.192 nan 8.250 nan 0.000 0.458 81 L N 1.334 122.511 121.223 -0.078 0.000 2.591 81 L HA 0.241 4.581 4.340 0.000 0.000 0.228 81 L C 0.722 177.539 176.870 -0.088 0.000 1.133 81 L CA -0.127 54.675 54.840 -0.064 0.000 0.880 81 L CB -0.089 41.943 42.059 -0.045 0.000 1.033 81 L HN 0.136 nan 8.230 nan 0.000 0.450 82 I N 0.761 121.243 120.570 -0.146 0.000 2.331 82 I HA 0.196 4.366 4.170 0.000 0.000 0.292 82 I C -0.084 175.980 176.117 -0.088 0.000 0.998 82 I CA -0.131 61.067 61.300 -0.171 0.000 1.267 82 I CB 1.117 38.894 38.000 -0.371 0.000 1.386 82 I HN 0.076 nan 8.210 nan 0.000 0.476 83 K N 4.791 125.169 120.400 -0.036 0.000 2.395 83 K HA 0.362 4.682 4.320 0.000 0.000 0.247 83 K C -0.569 176.037 176.600 0.009 0.000 0.973 83 K CA -0.943 55.336 56.287 -0.014 0.000 0.828 83 K CB 2.018 34.515 32.500 -0.006 0.000 1.272 83 K HN 0.481 nan 8.250 nan 0.000 0.439 84 E N 0.267 120.470 120.200 0.006 0.000 2.481 84 E HA -0.064 4.286 4.350 0.000 0.000 0.263 84 E C 0.567 177.181 176.600 0.023 0.000 0.992 84 E CA 1.464 57.873 56.400 0.016 0.000 0.938 84 E CB 0.190 29.892 29.700 0.004 0.000 0.933 84 E HN 0.758 nan 8.360 nan 0.000 0.453 85 G N 3.819 112.639 108.800 0.032 0.000 2.253 85 G HA2 -0.249 3.712 3.960 0.000 0.000 0.251 85 G HA3 -0.249 3.712 3.960 0.000 0.000 0.251 85 G C -0.091 174.841 174.900 0.054 0.000 0.998 85 G CA 0.254 45.374 45.100 0.033 0.000 0.621 85 G HN 0.666 nan 8.290 nan 0.000 0.524 86 D N 0.638 121.082 120.400 0.074 0.000 2.419 86 D HA 0.375 5.015 4.640 0.000 0.000 0.236 86 D C 1.218 177.582 176.300 0.106 0.000 1.165 86 D CA 0.173 54.232 54.000 0.099 0.000 0.882 86 D CB 0.529 41.411 40.800 0.136 0.000 1.201 86 D HN 0.376 nan 8.370 nan 0.000 0.443 87 I N 1.336 121.959 120.570 0.088 0.000 2.342 87 I HA 0.138 4.308 4.170 0.000 0.000 0.291 87 I C -0.124 176.012 176.117 0.032 0.000 1.010 87 I CA -0.724 60.609 61.300 0.055 0.000 1.308 87 I CB 1.042 39.063 38.000 0.036 0.000 1.400 87 I HN -0.098 nan 8.210 nan 0.000 0.488 88 V N 6.872 126.766 119.914 -0.034 0.000 2.483 88 V HA 0.396 4.516 4.120 0.000 0.000 0.295 88 V C 0.019 176.028 176.094 -0.142 0.000 1.035 88 V CA -0.872 61.315 62.300 -0.188 0.000 0.896 88 V CB 1.656 33.299 31.823 -0.300 0.000 0.986 88 V HN 0.652 nan 8.190 nan 0.000 0.447 89 K N 3.694 124.001 120.400 -0.155 0.000 2.270 89 K HA 0.584 4.904 4.320 0.000 0.000 0.255 89 K C -0.416 176.122 176.600 -0.103 0.000 0.936 89 K CA -0.873 55.358 56.287 -0.094 0.000 0.809 89 K CB 2.476 34.943 32.500 -0.055 0.000 1.131 89 K HN 0.577 nan 8.250 nan 0.000 0.427 90 R N 0.467 120.923 120.500 -0.074 0.000 2.734 90 R HA 0.028 4.368 4.340 0.000 0.000 0.266 90 R C 0.658 176.934 176.300 -0.040 0.000 1.044 90 R CA 0.259 56.324 56.100 -0.058 0.000 1.128 90 R CB 0.261 30.536 30.300 -0.042 0.000 1.010 90 R HN 0.605 nan 8.270 nan 0.000 0.461 91 T N -0.032 114.505 114.554 -0.028 0.000 2.990 91 T HA 0.127 4.477 4.350 0.000 0.000 0.249 91 T C 1.225 175.921 174.700 -0.007 0.000 1.039 91 T CA 0.527 62.620 62.100 -0.012 0.000 1.036 91 T CB 0.471 69.339 68.868 0.001 0.000 0.994 91 T HN 0.926 nan 8.240 nan 0.000 0.489 92 G N 1.680 110.475 108.800 -0.009 0.000 2.184 92 G HA2 -0.119 3.841 3.960 0.000 0.000 0.264 92 G HA3 -0.119 3.841 3.960 0.000 0.000 0.264 92 G C 0.172 175.072 174.900 0.000 0.000 0.975 92 G CA 0.153 45.249 45.100 -0.006 0.000 0.642 92 G HN 0.943 nan 8.290 nan 0.000 0.536 93 A N 0.485 123.309 122.820 0.006 0.000 2.355 93 A HA 0.774 5.094 4.320 0.000 0.000 0.317 93 A C 0.432 178.028 177.584 0.020 0.000 1.094 93 A CA -0.762 51.281 52.037 0.011 0.000 0.764 93 A CB 1.065 20.071 19.000 0.010 0.000 1.230 93 A HN 0.530 nan 8.150 nan 0.000 0.448 94 I N 1.898 122.479 120.570 0.019 0.000 2.892 94 I HA 0.002 4.172 4.170 0.000 0.000 0.287 94 I C 0.756 176.892 176.117 0.033 0.000 1.205 94 I CA 0.196 61.511 61.300 0.026 0.000 1.409 94 I CB 0.387 38.397 38.000 0.016 0.000 1.367 94 I HN 0.372 nan 8.210 nan 0.000 0.597 95 V N 5.463 125.408 119.914 0.051 0.000 2.720 95 V HA -0.004 4.116 4.120 0.000 0.000 0.307 95 V C 0.208 176.308 176.094 0.010 0.000 1.071 95 V CA 0.335 62.666 62.300 0.052 0.000 1.199 95 V CB 0.145 32.027 31.823 0.099 0.000 0.900 95 V HN 0.954 nan 8.190 nan 0.000 0.494 96 D N 3.100 123.497 120.400 -0.006 0.000 2.615 96 D HA 0.646 5.286 4.640 0.000 0.000 0.267 96 D C -0.929 175.350 176.300 -0.034 0.000 1.236 96 D CA -0.532 53.458 54.000 -0.017 0.000 0.839 96 D CB 2.140 42.935 40.800 -0.008 0.000 1.380 96 D HN 0.512 nan 8.370 nan 0.000 0.433 97 V N -4.349 115.544 119.914 -0.034 0.000 3.007 97 V HA 0.707 4.827 4.120 0.000 0.000 0.311 97 V C -2.830 173.234 176.094 -0.050 0.000 1.120 97 V CA -2.284 59.989 62.300 -0.045 0.000 0.980 97 V CB 1.785 33.580 31.823 -0.046 0.000 1.033 97 V HN 0.561 nan 8.190 nan 0.000 0.429 98 P HA 0.164 nan 4.420 nan 0.000 0.264 98 P C -0.603 176.632 177.300 -0.109 0.000 1.183 98 P CA 0.499 63.552 63.100 -0.078 0.000 0.763 98 P CB 1.006 32.664 31.700 -0.069 0.000 0.807 99 V N 1.750 121.560 119.914 -0.174 0.000 3.167 99 V HA 0.882 5.002 4.120 0.000 0.000 0.310 99 V C 0.417 176.185 176.094 -0.543 0.000 1.207 99 V CA 0.139 62.273 62.300 -0.277 0.000 1.059 99 V CB 1.708 33.411 31.823 -0.201 0.000 1.079 99 V HN 1.051 nan 8.190 nan 0.000 0.446 100 G N 0.815 109.047 108.800 -0.947 0.000 2.555 100 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 100 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 100 G C -0.086 174.420 174.900 -0.656 0.000 1.275 100 G CA -0.018 44.202 45.100 -1.467 0.000 0.871 100 G HN 0.753 nan 8.290 nan 0.000 0.603 101 E N 0.012 119.949 120.200 -0.438 0.000 2.501 101 E HA -0.065 4.285 4.350 0.000 0.000 0.203 101 E C 1.723 178.285 176.600 -0.063 0.000 1.072 101 E CA 1.310 57.640 56.400 -0.116 0.000 0.885 101 E CB 0.038 29.721 29.700 -0.028 0.000 0.813 101 E HN 0.534 nan 8.360 nan 0.000 0.556 102 E N -0.028 120.100 120.200 -0.120 0.000 2.418 102 E HA -0.080 4.270 4.350 0.000 0.000 0.197 102 E C 1.396 177.972 176.600 -0.039 0.000 1.026 102 E CA 0.418 56.779 56.400 -0.066 0.000 0.862 102 E CB 0.039 29.690 29.700 -0.082 0.000 0.799 102 E HN 0.276 nan 8.360 nan 0.000 0.518 103 L N -0.112 121.088 121.223 -0.038 0.000 2.270 103 L HA 0.075 4.415 4.340 0.000 0.000 0.210 103 L C 0.488 177.385 176.870 0.046 0.000 1.104 103 L CA -0.010 54.831 54.840 0.002 0.000 0.804 103 L CB -0.226 41.833 42.059 -0.000 0.000 0.937 103 L HN 0.071 nan 8.230 nan 0.000 0.450 104 L N 0.441 121.715 121.223 0.084 0.000 2.543 104 L HA 0.040 4.380 4.340 0.000 0.000 0.285 104 L C 1.522 178.429 176.870 0.063 0.000 1.236 104 L CA 0.776 55.682 54.840 0.111 0.000 0.871 104 L CB -0.419 41.740 42.059 0.167 0.000 1.121 104 L HN 0.372 nan 8.230 nan 0.000 0.501 105 G N 1.624 110.447 108.800 0.038 0.000 2.175 105 G HA2 -0.269 3.691 3.960 0.000 0.000 0.265 105 G HA3 -0.269 3.691 3.960 0.000 0.000 0.265 105 G C 0.392 175.292 174.900 -0.000 0.000 0.979 105 G CA 0.121 45.222 45.100 0.002 0.000 0.663 105 G HN 0.606 nan 8.290 nan 0.000 0.533 106 R N -1.060 119.447 120.500 0.012 0.000 2.832 106 R HA 0.637 4.977 4.340 0.000 0.000 0.271 106 R C -0.742 175.565 176.300 0.012 0.000 0.996 106 R CA -0.822 55.283 56.100 0.008 0.000 0.977 106 R CB 2.284 32.589 30.300 0.008 0.000 1.168 106 R HN 0.089 nan 8.270 nan 0.000 0.482 107 V N 3.112 123.032 119.914 0.010 0.000 2.334 107 V HA 0.285 4.405 4.120 0.000 0.000 0.281 107 V C 0.271 176.375 176.094 0.017 0.000 1.016 107 V CA -0.599 61.711 62.300 0.018 0.000 0.832 107 V CB 1.194 33.026 31.823 0.014 0.000 0.999 107 V HN 0.593 nan 8.190 nan 0.000 0.439 108 V N 1.588 121.514 119.914 0.021 0.000 3.204 108 V HA 0.843 4.963 4.120 0.000 0.000 0.316 108 V C -0.243 175.861 176.094 0.016 0.000 1.160 108 V CA -0.759 61.549 62.300 0.013 0.000 1.044 108 V CB 2.103 33.928 31.823 0.004 0.000 1.136 108 V HN 0.739 nan 8.190 nan 0.000 0.455 109 D N 0.320 120.725 120.400 0.007 0.000 2.539 109 D HA 0.550 5.190 4.640 0.000 0.000 0.276 109 D C 0.899 177.194 176.300 -0.009 0.000 1.206 109 D CA -0.079 53.926 54.000 0.008 0.000 1.081 109 D CB 1.181 41.988 40.800 0.011 0.000 1.142 109 D HN 0.822 nan 8.370 nan 0.000 0.595 110 A N -0.860 121.948 122.820 -0.020 0.000 2.206 110 A HA 0.096 4.416 4.320 0.000 0.000 0.211 110 A C 2.015 179.534 177.584 -0.108 0.000 1.158 110 A CA 0.396 52.403 52.037 -0.050 0.000 0.761 110 A CB -0.730 18.247 19.000 -0.039 0.000 0.801 110 A HN 0.505 nan 8.150 nan 0.000 0.473 111 L N -1.982 119.177 121.223 -0.107 0.000 2.585 111 L HA 0.239 4.579 4.340 0.000 0.000 0.226 111 L C 1.707 178.533 176.870 -0.073 0.000 1.113 111 L CA 0.662 55.424 54.840 -0.130 0.000 0.876 111 L CB 0.248 42.232 42.059 -0.125 0.000 1.072 111 L HN 0.542 nan 8.230 nan 0.000 0.468 112 G N -0.469 108.303 108.800 -0.048 0.000 2.194 112 G HA2 -0.245 3.715 3.960 0.000 0.000 0.236 112 G HA3 -0.245 3.715 3.960 0.000 0.000 0.236 112 G C 0.115 175.001 174.900 -0.023 0.000 0.987 112 G CA -0.335 44.745 45.100 -0.034 0.000 0.635 112 G HN 0.320 nan 8.290 nan 0.000 0.520 113 N N 1.565 120.254 118.700 -0.018 0.000 2.492 113 N HA 0.504 5.244 4.740 0.000 0.000 0.262 113 N C 0.683 176.192 175.510 -0.003 0.000 1.202 113 N CA 0.788 53.833 53.050 -0.008 0.000 0.926 113 N CB 1.091 39.578 38.487 -0.000 0.000 1.078 113 N HN 0.840 nan 8.380 nan 0.000 0.454 114 A N 1.964 124.783 122.820 -0.002 0.000 2.498 114 A HA 0.259 4.579 4.320 0.000 0.000 0.239 114 A C 1.265 178.853 177.584 0.006 0.000 1.068 114 A CA -0.131 51.907 52.037 0.001 0.000 0.766 114 A CB -0.382 18.618 19.000 -0.000 0.000 1.003 114 A HN 0.850 nan 8.150 nan 0.000 0.497 115 I N -1.158 119.418 120.570 0.009 0.000 4.160 115 I HA 0.258 4.428 4.170 0.000 0.000 0.325 115 I C 0.087 176.211 176.117 0.011 0.000 1.455 115 I CA -0.053 61.255 61.300 0.012 0.000 1.142 115 I CB 0.552 38.562 38.000 0.018 0.000 1.262 115 I HN 0.440 nan 8.210 nan 0.000 0.483 116 D N 1.094 121.498 120.400 0.007 0.000 2.325 116 D HA 0.198 4.838 4.640 0.000 0.000 0.225 116 D C 1.627 177.928 176.300 0.002 0.000 1.096 116 D CA 0.410 54.412 54.000 0.004 0.000 0.844 116 D CB 0.185 40.986 40.800 0.001 0.000 0.925 116 D HN 0.461 nan 8.370 nan 0.000 0.513 117 G N 0.896 109.698 108.800 0.004 0.000 2.168 117 G HA2 -0.382 3.578 3.960 0.000 0.000 0.263 117 G HA3 -0.382 3.578 3.960 0.000 0.000 0.263 117 G C 0.669 175.570 174.900 0.001 0.000 0.977 117 G CA 0.445 45.547 45.100 0.003 0.000 0.659 117 G HN 0.480 nan 8.290 nan 0.000 0.533 118 K N 0.597 120.998 120.400 0.001 0.000 2.675 118 K HA 0.485 4.805 4.320 0.000 0.000 0.213 118 K C 1.258 177.857 176.600 -0.000 0.000 1.074 118 K CA 0.229 56.516 56.287 -0.000 0.000 1.172 118 K CB 0.310 32.809 32.500 -0.001 0.000 0.927 118 K HN 1.380 nan 8.250 nan 0.000 0.471 119 G N 2.518 111.318 108.800 0.000 0.000 2.829 119 G HA2 -0.199 3.761 3.960 0.000 0.000 0.628 119 G HA3 -0.199 3.761 3.960 0.000 0.000 0.628 119 G C -2.614 172.285 174.900 -0.002 0.000 1.412 119 G CA -1.339 43.760 45.100 -0.001 0.000 0.864 119 G HN 0.059 nan 8.290 nan 0.000 0.544 120 P HA 0.276 nan 4.420 nan 0.000 0.267 120 P C 0.343 177.637 177.300 -0.011 0.000 1.195 120 P CA -0.142 62.954 63.100 -0.007 0.000 0.773 120 P CB 0.273 31.969 31.700 -0.007 0.000 0.837 121 I N 1.078 121.638 120.570 -0.016 0.000 2.396 121 I HA 0.176 4.346 4.170 0.000 0.000 0.292 121 I C 1.585 177.684 176.117 -0.030 0.000 0.999 121 I CA -0.152 61.134 61.300 -0.024 0.000 1.310 121 I CB 0.460 38.441 38.000 -0.031 0.000 1.404 121 I HN 0.461 nan 8.210 nan 0.000 0.496 122 G N 4.586 113.366 108.800 -0.033 0.000 3.530 122 G HA2 0.135 4.096 3.960 0.000 0.000 0.269 122 G HA3 0.135 4.096 3.960 0.000 0.000 0.269 122 G C 0.366 175.233 174.900 -0.054 0.000 1.314 122 G CA -0.309 44.770 45.100 -0.036 0.000 1.441 122 G HN 0.640 nan 8.290 nan 0.000 0.595 123 S N -0.098 115.561 115.700 -0.068 0.000 2.546 123 S HA 0.092 4.562 4.470 0.000 0.000 0.290 123 S C 0.866 175.415 174.600 -0.084 0.000 1.290 123 S CA -0.042 58.099 58.200 -0.099 0.000 1.069 123 S CB 1.772 64.910 63.200 -0.104 0.000 0.846 123 S HN 0.471 nan 8.310 nan 0.000 0.495 124 K N 0.739 121.080 120.400 -0.098 0.000 2.358 124 K HA 0.373 4.693 4.320 0.000 0.000 0.200 124 K C 0.253 176.813 176.600 -0.067 0.000 1.030 124 K CA 0.114 56.362 56.287 -0.066 0.000 1.097 124 K CB 0.623 33.094 32.500 -0.050 0.000 0.862 124 K HN 0.710 nan 8.250 nan 0.000 0.534 125 A N 1.194 123.953 122.820 -0.102 0.000 2.515 125 A HA 0.665 4.985 4.320 0.000 0.000 0.298 125 A C -1.134 176.395 177.584 -0.091 0.000 1.059 125 A CA -0.828 51.159 52.037 -0.084 0.000 0.698 125 A CB 1.351 20.305 19.000 -0.075 0.000 1.289 125 A HN 0.087 nan 8.150 nan 0.000 0.404 126 R N 0.202 120.670 120.500 -0.052 0.000 2.803 126 R HA 0.781 5.121 4.340 0.000 0.000 0.276 126 R C -0.699 175.587 176.300 -0.022 0.000 0.978 126 R CA -0.809 55.264 56.100 -0.044 0.000 0.939 126 R CB 2.580 32.861 30.300 -0.031 0.000 1.179 126 R HN 0.750 nan 8.270 nan 0.000 0.472 127 R N 1.327 121.816 120.500 -0.018 0.000 2.548 127 R HA 0.296 4.636 4.340 0.000 0.000 0.280 127 R C -0.793 175.508 176.300 0.001 0.000 1.061 127 R CA -0.754 55.348 56.100 0.002 0.000 0.915 127 R CB 1.782 32.093 30.300 0.018 0.000 1.210 127 R HN 0.563 nan 8.270 nan 0.000 0.442 128 R N 1.112 121.616 120.500 0.005 0.000 2.784 128 R HA 0.008 4.348 4.340 0.000 0.000 0.266 128 R C 1.320 177.621 176.300 0.002 0.000 1.044 128 R CA 0.301 56.401 56.100 0.000 0.000 1.151 128 R CB 0.660 30.960 30.300 0.001 0.000 1.037 128 R HN 0.532 nan 8.270 nan 0.000 0.478 129 V N -0.895 119.012 119.914 -0.012 0.000 3.174 129 V HA 0.172 4.292 4.120 0.000 0.000 0.254 129 V C 1.327 177.394 176.094 -0.045 0.000 1.120 129 V CA 1.383 63.680 62.300 -0.004 0.000 1.114 129 V CB 0.284 32.095 31.823 -0.020 0.000 0.756 129 V HN 0.880 nan 8.190 nan 0.000 0.467 130 G N 0.234 108.987 108.800 -0.079 0.000 3.042 130 G HA2 0.247 4.207 3.960 0.000 0.000 0.212 130 G HA3 0.247 4.207 3.960 0.000 0.000 0.212 130 G C 0.600 175.470 174.900 -0.050 0.000 1.166 130 G CA -0.376 44.655 45.100 -0.115 0.000 0.767 130 G HN 0.394 nan 8.290 nan 0.000 0.546 131 L N 0.846 122.061 121.223 -0.013 0.000 2.653 131 L HA -0.010 4.330 4.340 0.000 0.000 0.288 131 L C 0.889 177.762 176.870 0.005 0.000 1.243 131 L CA 0.539 55.382 54.840 0.005 0.000 0.906 131 L CB 0.398 42.469 42.059 0.020 0.000 1.154 131 L HN 0.173 nan 8.230 nan 0.000 0.498 132 K N 2.564 122.970 120.400 0.011 0.000 2.326 132 K HA 0.322 4.642 4.320 0.000 0.000 0.275 132 K C 0.100 176.707 176.600 0.012 0.000 1.018 132 K CA -0.401 55.896 56.287 0.016 0.000 0.962 132 K CB 0.948 33.463 32.500 0.026 0.000 0.953 132 K HN 0.687 nan 8.250 nan 0.000 0.475 133 A N 5.071 127.897 122.820 0.010 0.000 2.520 133 A HA 0.198 4.518 4.320 0.000 0.000 0.235 133 A C -2.125 175.451 177.584 -0.013 0.000 1.065 133 A CA -1.013 51.025 52.037 0.001 0.000 0.764 133 A CB -0.539 18.461 19.000 0.000 0.000 1.002 133 A HN 0.601 nan 8.150 nan 0.000 0.502 134 P HA 0.169 nan 4.420 nan 0.000 0.262 134 P C 0.753 178.008 177.300 -0.075 0.000 1.182 134 P CA 0.783 63.835 63.100 -0.081 0.000 0.761 134 P CB 0.485 32.112 31.700 -0.122 0.000 0.795 135 G N 1.974 110.725 108.800 -0.081 0.000 2.485 135 G HA2 0.106 4.066 3.960 0.000 0.000 0.260 135 G HA3 0.106 4.066 3.960 0.000 0.000 0.260 135 G C 1.093 175.947 174.900 -0.075 0.000 1.459 135 G CA -0.578 44.488 45.100 -0.057 0.000 1.060 135 G HN 0.410 nan 8.290 nan 0.000 0.546 136 I N -0.126 120.415 120.570 -0.049 0.000 2.202 136 I HA -0.122 4.049 4.170 0.000 0.000 0.242 136 I C 2.540 178.619 176.117 -0.062 0.000 1.091 136 I CA 0.562 61.836 61.300 -0.043 0.000 1.368 136 I CB -0.168 37.822 38.000 -0.018 0.000 1.058 136 I HN 0.203 nan 8.210 nan 0.000 0.410 137 I N 1.082 121.615 120.570 -0.063 0.000 2.179 137 I HA -0.142 4.028 4.170 0.000 0.000 0.242 137 I C -0.268 175.762 176.117 -0.145 0.000 1.088 137 I CA 1.597 62.867 61.300 -0.050 0.000 1.357 137 I CB -2.735 35.276 38.000 0.019 0.000 1.051 137 I HN 0.146 nan 8.210 nan 0.000 0.409 138 P HA -0.071 nan 4.420 nan 0.000 0.236 138 P C 0.123 177.147 177.300 -0.459 0.000 1.172 138 P CA 0.975 63.511 63.100 -0.941 0.000 0.759 138 P CB 0.052 30.928 31.700 -1.374 0.000 0.843 139 R N -0.802 119.570 120.500 -0.214 0.000 2.856 139 R HA 0.732 5.072 4.340 0.000 0.000 0.258 139 R C -0.669 175.605 176.300 -0.043 0.000 1.066 139 R CA -0.977 55.056 56.100 -0.110 0.000 1.045 139 R CB 1.134 31.383 30.300 -0.085 0.000 1.178 139 R HN -0.154 nan 8.270 nan 0.000 0.499 140 I N -0.596 119.964 120.570 -0.016 0.000 2.752 140 I HA 0.192 4.362 4.170 0.000 0.000 0.295 140 I C -0.742 175.375 176.117 -0.000 0.000 1.219 140 I CA -0.146 61.156 61.300 0.002 0.000 1.030 140 I CB 2.567 40.580 38.000 0.021 0.000 1.259 140 I HN 0.548 nan 8.210 nan 0.000 0.423 141 S N 3.949 119.649 115.700 -0.001 0.000 2.593 141 S HA 0.108 4.579 4.470 0.000 0.000 0.300 141 S C -0.115 174.481 174.600 -0.006 0.000 1.267 141 S CA -0.352 57.845 58.200 -0.004 0.000 1.065 141 S CB 0.077 63.276 63.200 -0.003 0.000 0.807 141 S HN 0.421 nan 8.310 nan 0.000 0.499 142 V N 5.542 125.450 119.914 -0.010 0.000 2.509 142 V HA 0.000 4.120 4.120 0.000 0.000 0.297 142 V C 1.122 177.201 176.094 -0.024 0.000 1.014 142 V CA 1.031 63.320 62.300 -0.018 0.000 1.127 142 V CB 0.130 31.943 31.823 -0.018 0.000 0.925 142 V HN 0.865 nan 8.190 nan 0.000 0.480 143 R N 1.988 122.467 120.500 -0.035 0.000 2.637 143 R HA 0.211 4.551 4.340 0.000 0.000 0.262 143 R C 0.059 176.321 176.300 -0.063 0.000 0.959 143 R CA -0.305 55.771 56.100 -0.039 0.000 1.061 143 R CB 0.603 30.886 30.300 -0.029 0.000 1.610 143 R HN 0.669 nan 8.270 nan 0.000 0.548 144 E N 3.073 123.219 120.200 -0.090 0.000 2.223 144 E HA 0.174 4.524 4.350 0.000 0.000 0.282 144 E C -2.454 174.057 176.600 -0.149 0.000 1.046 144 E CA -2.168 54.147 56.400 -0.141 0.000 0.857 144 E CB 0.754 30.324 29.700 -0.216 0.000 1.055 144 E HN -0.098 nan 8.360 nan 0.000 0.409 145 P HA -0.052 nan 4.420 nan 0.000 0.269 145 P C -0.494 176.696 177.300 -0.183 0.000 1.217 145 P CA 0.053 63.072 63.100 -0.135 0.000 0.783 145 P CB 0.456 32.083 31.700 -0.120 0.000 0.898 146 M N 2.019 121.536 119.600 -0.138 0.000 1.949 146 M HA 0.128 4.608 4.480 0.000 0.000 0.234 146 M C -0.973 175.282 176.300 -0.075 0.000 0.855 146 M CA -0.496 54.722 55.300 -0.137 0.000 0.800 146 M CB 0.463 33.002 32.600 -0.100 0.000 1.697 146 M HN 0.302 nan 8.290 nan 0.000 0.357 147 Q N 1.686 121.442 119.800 -0.072 0.000 2.289 147 Q HA 0.142 4.482 4.340 0.000 0.000 0.273 147 Q C 1.226 177.264 176.000 0.063 0.000 1.029 147 Q CA 0.419 56.233 55.803 0.019 0.000 0.896 147 Q CB 0.567 29.354 28.738 0.082 0.000 1.182 147 Q HN 0.726 nan 8.270 nan 0.000 0.385 148 T N -1.570 113.010 114.554 0.043 0.000 3.054 148 T HA 0.175 4.525 4.350 0.000 0.000 0.259 148 T C 1.237 175.965 174.700 0.048 0.000 1.092 148 T CA 0.521 62.646 62.100 0.043 0.000 1.121 148 T CB 0.156 69.039 68.868 0.024 0.000 0.912 148 T HN 0.834 nan 8.240 nan 0.000 0.489 149 G N 1.451 110.280 108.800 0.049 0.000 2.176 149 G HA2 -0.187 3.773 3.960 0.000 0.000 0.253 149 G HA3 -0.187 3.773 3.960 0.000 0.000 0.253 149 G C -0.007 174.904 174.900 0.019 0.000 0.979 149 G CA 0.051 45.173 45.100 0.037 0.000 0.641 149 G HN 0.653 nan 8.290 nan 0.000 0.530 150 I N 0.982 121.562 120.570 0.016 0.000 2.312 150 I HA 0.267 4.438 4.170 0.000 0.000 0.290 150 I C 1.527 177.650 176.117 0.010 0.000 1.008 150 I CA -0.816 60.488 61.300 0.006 0.000 1.226 150 I CB 1.370 39.371 38.000 0.001 0.000 1.371 150 I HN 0.003 nan 8.210 nan 0.000 0.468 151 K N 4.377 124.783 120.400 0.009 0.000 2.032 151 K HA -0.207 4.113 4.320 0.000 0.000 0.209 151 K C 2.113 178.720 176.600 0.012 0.000 1.048 151 K CA 1.728 58.023 56.287 0.014 0.000 0.927 151 K CB -0.203 32.307 32.500 0.016 0.000 0.712 151 K HN 0.786 nan 8.250 nan 0.000 0.441 152 A N 1.273 124.098 122.820 0.008 0.000 1.873 152 A HA -0.180 4.140 4.320 0.000 0.000 0.218 152 A C 2.489 180.081 177.584 0.013 0.000 1.193 152 A CA 1.976 54.019 52.037 0.010 0.000 0.629 152 A CB -0.945 18.059 19.000 0.006 0.000 0.826 152 A HN 0.091 nan 8.150 nan 0.000 0.447 153 V N 0.561 120.482 119.914 0.012 0.000 2.270 153 V HA -0.222 3.898 4.120 0.000 0.000 0.245 153 V C 2.101 178.202 176.094 0.011 0.000 1.043 153 V CA 2.288 64.596 62.300 0.013 0.000 1.014 153 V CB -0.923 30.908 31.823 0.012 0.000 0.645 153 V HN 0.499 nan 8.190 nan 0.000 0.447 154 D N 0.235 120.641 120.400 0.011 0.000 2.263 154 D HA -0.098 4.542 4.640 0.000 0.000 0.208 154 D C 2.307 178.613 176.300 0.010 0.000 0.971 154 D CA 1.629 55.635 54.000 0.010 0.000 0.867 154 D CB -0.032 40.777 40.800 0.014 0.000 0.929 154 D HN 0.640 nan 8.370 nan 0.000 0.492 155 S N -0.979 114.728 115.700 0.012 0.000 2.506 155 S HA 0.112 4.582 4.470 0.000 0.000 0.230 155 S C 1.952 176.558 174.600 0.010 0.000 1.066 155 S CA -0.136 58.071 58.200 0.011 0.000 0.940 155 S CB -0.135 63.073 63.200 0.013 0.000 0.818 155 S HN 0.152 nan 8.310 nan 0.000 0.518 156 L N 1.578 122.808 121.223 0.013 0.000 2.357 156 L HA 0.337 4.677 4.340 0.000 0.000 0.211 156 L C 0.326 177.206 176.870 0.017 0.000 1.075 156 L CA 0.219 55.069 54.840 0.016 0.000 0.830 156 L CB 0.386 42.458 42.059 0.022 0.000 0.996 156 L HN 0.358 nan 8.230 nan 0.000 0.467 157 V N -2.495 117.428 119.914 0.016 0.000 2.464 157 V HA 0.400 4.520 4.120 0.000 0.000 0.255 157 V C -2.743 173.357 176.094 0.010 0.000 0.946 157 V CA -1.794 60.516 62.300 0.016 0.000 0.988 157 V CB 0.090 31.927 31.823 0.025 0.000 1.210 157 V HN -0.089 nan 8.190 nan 0.000 0.523 158 P HA 0.359 nan 4.420 nan 0.000 0.267 158 P C -0.208 177.087 177.300 -0.008 0.000 1.205 158 P CA 0.365 63.463 63.100 -0.003 0.000 0.765 158 P CB 1.548 33.244 31.700 -0.007 0.000 0.828 159 I N 1.889 122.451 120.570 -0.014 0.000 2.498 159 I HA 0.582 4.752 4.170 0.000 0.000 0.301 159 I C 1.098 177.193 176.117 -0.037 0.000 0.984 159 I CA -0.468 60.820 61.300 -0.020 0.000 1.204 159 I CB 1.919 39.908 38.000 -0.017 0.000 1.362 159 I HN 0.352 nan 8.210 nan 0.000 0.471 160 G N 3.544 112.319 108.800 -0.041 0.000 2.537 160 G HA2 0.526 4.486 3.960 0.000 0.000 0.308 160 G HA3 0.526 4.486 3.960 0.000 0.000 0.308 160 G C -0.845 174.017 174.900 -0.064 0.000 1.237 160 G CA -0.929 44.136 45.100 -0.059 0.000 0.968 160 G HN 0.500 nan 8.290 nan 0.000 0.481 161 R N 0.124 120.567 120.500 -0.095 0.000 2.421 161 R HA 0.398 4.738 4.340 0.000 0.000 0.305 161 R C 1.089 177.368 176.300 -0.034 0.000 1.039 161 R CA 0.874 56.918 56.100 -0.093 0.000 1.003 161 R CB 0.686 30.867 30.300 -0.198 0.000 0.959 161 R HN 1.257 nan 8.270 nan 0.000 0.427 162 G N 1.836 110.632 108.800 -0.007 0.000 2.201 162 G HA2 -0.275 3.685 3.960 0.000 0.000 0.212 162 G HA3 -0.275 3.685 3.960 0.000 0.000 0.212 162 G C 0.164 175.065 174.900 0.002 0.000 0.994 162 G CA -0.152 44.955 45.100 0.011 0.000 0.644 162 G HN 0.579 nan 8.290 nan 0.000 0.508 163 Q N 0.018 119.814 119.800 -0.007 0.000 2.260 163 Q HA 0.696 5.037 4.340 0.000 0.000 0.238 163 Q C -0.147 175.853 176.000 -0.001 0.000 0.948 163 Q CA -0.627 55.173 55.803 -0.006 0.000 0.895 163 Q CB 0.493 29.223 28.738 -0.013 0.000 1.218 163 Q HN 0.300 nan 8.270 nan 0.000 0.470 164 R N 1.969 122.471 120.500 0.002 0.000 2.360 164 R HA 0.290 4.630 4.340 0.000 0.000 0.318 164 R C -1.426 174.876 176.300 0.004 0.000 0.950 164 R CA -0.498 55.606 56.100 0.007 0.000 0.837 164 R CB 1.554 31.859 30.300 0.008 0.000 1.165 164 R HN 0.446 nan 8.270 nan 0.000 0.458 165 E N 2.991 123.193 120.200 0.004 0.000 2.185 165 E HA 0.270 4.620 4.350 0.000 0.000 0.261 165 E C -1.356 175.250 176.600 0.010 0.000 0.879 165 E CA -0.908 55.496 56.400 0.007 0.000 0.756 165 E CB 0.939 30.643 29.700 0.006 0.000 1.152 165 E HN 0.382 nan 8.360 nan 0.000 0.416 166 L N 5.443 126.673 121.223 0.012 0.000 2.416 166 L HA 0.417 4.757 4.340 0.000 0.000 0.272 166 L C -0.863 176.026 176.870 0.032 0.000 1.161 166 L CA 0.230 55.078 54.840 0.013 0.000 0.845 166 L CB 0.496 42.559 42.059 0.008 0.000 1.119 166 L HN 0.651 nan 8.230 nan 0.000 0.464 167 I N 6.954 127.543 120.570 0.032 0.000 2.330 167 I HA 0.396 4.566 4.170 0.000 0.000 0.289 167 I C -0.354 175.803 176.117 0.067 0.000 1.001 167 I CA -0.189 61.140 61.300 0.048 0.000 1.193 167 I CB 1.119 39.139 38.000 0.034 0.000 1.345 167 I HN 0.553 nan 8.210 nan 0.000 0.461 168 I N 5.245 125.889 120.570 0.122 0.000 2.619 168 I HA 0.861 5.031 4.170 0.000 0.000 0.292 168 I C -0.309 175.981 176.117 0.288 0.000 1.100 168 I CA 0.014 61.427 61.300 0.187 0.000 1.043 168 I CB 2.072 40.190 38.000 0.197 0.000 1.239 168 I HN 0.727 nan 8.210 nan 0.000 0.420 169 G N 5.044 113.980 108.800 0.226 0.000 2.313 169 G HA2 0.146 4.106 3.960 0.000 0.000 0.296 169 G HA3 0.146 4.106 3.960 0.000 0.000 0.296 169 G C -2.025 172.924 174.900 0.081 0.000 1.356 169 G CA -0.785 44.392 45.100 0.128 0.000 0.833 169 G HN 0.476 nan 8.290 nan 0.000 0.552 170 D N 0.344 120.757 120.400 0.022 0.000 2.371 170 D HA 0.411 5.052 4.640 0.000 0.000 0.242 170 D C 1.265 177.549 176.300 -0.026 0.000 1.218 170 D CA -0.186 53.826 54.000 0.019 0.000 0.945 170 D CB 0.605 41.415 40.800 0.016 0.000 1.137 170 D HN 0.709 nan 8.370 nan 0.000 0.464 171 R N 0.769 121.262 120.500 -0.012 0.000 2.638 171 R HA -0.061 4.279 4.340 0.000 0.000 0.268 171 R C -0.194 176.053 176.300 -0.089 0.000 1.006 171 R CA -0.036 56.048 56.100 -0.028 0.000 1.088 171 R CB 0.056 30.354 30.300 -0.004 0.000 0.950 171 R HN 0.206 nan 8.270 nan 0.000 0.419 172 Q N 0.316 120.050 119.800 -0.110 0.000 2.468 172 Q HA -0.157 4.183 4.340 0.000 0.000 0.289 172 Q C 0.125 175.892 176.000 -0.387 0.000 1.299 172 Q CA 1.741 57.417 55.803 -0.212 0.000 0.838 172 Q CB -1.812 26.819 28.738 -0.177 0.000 1.195 172 Q HN 1.010 nan 8.270 nan 0.000 0.456 173 T N -5.453 108.924 114.554 -0.296 0.000 3.044 173 T HA 0.450 4.800 4.350 0.000 0.000 0.260 173 T C 1.145 175.719 174.700 -0.210 0.000 1.019 173 T CA 0.742 62.635 62.100 -0.345 0.000 0.921 173 T CB 1.103 69.837 68.868 -0.223 0.000 1.053 173 T HN 0.852 nan 8.240 nan 0.000 0.533 174 G N 1.714 110.421 108.800 -0.155 0.000 2.135 174 G HA2 -0.232 3.728 3.960 0.000 0.000 0.183 174 G HA3 -0.232 3.728 3.960 0.000 0.000 0.183 174 G C 0.673 175.562 174.900 -0.019 0.000 1.004 174 G CA 0.205 45.279 45.100 -0.043 0.000 0.677 174 G HN 0.488 nan 8.290 nan 0.000 0.512 175 K N -0.353 120.032 120.400 -0.024 0.000 2.009 175 K HA -0.066 4.254 4.320 0.000 0.000 0.210 175 K C 2.589 179.205 176.600 0.027 0.000 1.049 175 K CA 1.989 58.278 56.287 0.003 0.000 0.929 175 K CB -0.308 32.198 32.500 0.010 0.000 0.714 175 K HN 0.291 nan 8.250 nan 0.000 0.440 176 T N 0.858 115.437 114.554 0.041 0.000 2.881 176 T HA -0.099 4.251 4.350 0.000 0.000 0.270 176 T C 1.925 176.655 174.700 0.050 0.000 1.068 176 T CA 1.449 63.599 62.100 0.083 0.000 1.131 176 T CB -0.159 68.775 68.868 0.111 0.000 0.871 176 T HN 0.197 nan 8.240 nan 0.000 0.479 177 S N 1.584 117.289 115.700 0.008 0.000 2.356 177 S HA -0.043 4.427 4.470 0.000 0.000 0.223 177 S C 2.035 176.619 174.600 -0.028 0.000 1.032 177 S CA 0.812 58.989 58.200 -0.038 0.000 1.005 177 S CB -0.365 62.785 63.200 -0.084 0.000 0.867 177 S HN 0.392 nan 8.310 nan 0.000 0.449 178 I N 2.238 122.803 120.570 -0.007 0.000 2.194 178 I HA -0.242 3.928 4.170 0.000 0.000 0.246 178 I C 2.791 178.921 176.117 0.021 0.000 1.093 178 I CA 1.511 62.812 61.300 0.001 0.000 1.355 178 I CB -1.562 36.444 38.000 0.010 0.000 1.046 178 I HN 0.282 nan 8.210 nan 0.000 0.413 179 A N 1.448 124.295 122.820 0.045 0.000 1.858 179 A HA -0.169 4.151 4.320 0.000 0.000 0.216 179 A C 2.239 179.866 177.584 0.072 0.000 1.190 179 A CA 1.320 53.403 52.037 0.076 0.000 0.617 179 A CB -0.616 18.465 19.000 0.135 0.000 0.827 179 A HN 0.267 nan 8.150 nan 0.000 0.443 180 I N 0.535 121.136 120.570 0.051 0.000 2.163 180 I HA -0.222 3.948 4.170 0.000 0.000 0.243 180 I C 1.891 178.031 176.117 0.039 0.000 1.085 180 I CA 1.816 63.129 61.300 0.022 0.000 1.347 180 I CB -1.660 36.346 38.000 0.011 0.000 1.044 180 I HN 0.274 nan 8.210 nan 0.000 0.408 181 D N 0.604 121.016 120.400 0.019 0.000 2.123 181 D HA -0.143 4.497 4.640 0.000 0.000 0.196 181 D C 2.204 178.530 176.300 0.043 0.000 0.992 181 D CA 1.511 55.524 54.000 0.022 0.000 0.833 181 D CB -0.245 40.542 40.800 -0.023 0.000 0.954 181 D HN 0.226 nan 8.370 nan 0.000 0.455 182 T N 0.498 115.079 114.554 0.044 0.000 2.720 182 T HA -0.120 4.230 4.350 0.000 0.000 0.268 182 T C 2.113 176.865 174.700 0.088 0.000 1.037 182 T CA 0.692 62.827 62.100 0.058 0.000 1.144 182 T CB -0.196 68.700 68.868 0.047 0.000 0.864 182 T HN 0.179 nan 8.240 nan 0.000 0.444 183 I N 0.157 120.786 120.570 0.098 0.000 2.353 183 I HA -0.069 4.101 4.170 0.000 0.000 0.248 183 I C 2.152 178.398 176.117 0.214 0.000 1.119 183 I CA 1.050 62.446 61.300 0.159 0.000 1.417 183 I CB -0.269 37.796 38.000 0.108 0.000 1.078 183 I HN 0.224 nan 8.210 nan 0.000 0.421 184 I N 0.857 121.504 120.570 0.128 0.000 2.226 184 I HA -0.324 3.846 4.170 0.000 0.000 0.245 184 I C 2.269 178.442 176.117 0.093 0.000 1.100 184 I CA 1.449 62.824 61.300 0.124 0.000 1.374 184 I CB -0.500 37.550 38.000 0.083 0.000 1.057 184 I HN 0.305 nan 8.210 nan 0.000 0.413 185 N N 0.743 119.474 118.700 0.051 0.000 2.149 185 N HA -0.216 4.524 4.740 0.000 0.000 0.188 185 N C 1.710 177.134 175.510 -0.144 0.000 1.019 185 N CA 1.216 54.254 53.050 -0.020 0.000 0.857 185 N CB 0.002 38.514 38.487 0.042 0.000 0.997 185 N HN 0.219 nan 8.380 nan 0.000 0.426 186 Q N 0.281 120.057 119.800 -0.040 0.000 2.541 186 Q HA -0.080 4.260 4.340 0.000 0.000 0.215 186 Q C 1.498 177.210 176.000 -0.480 0.000 0.977 186 Q CA 0.441 56.173 55.803 -0.118 0.000 0.934 186 Q CB -0.155 28.550 28.738 -0.055 0.000 0.988 186 Q HN 0.550 nan 8.270 nan 0.000 0.521 187 K N 1.295 121.484 120.400 -0.353 0.000 2.097 187 K HA -0.139 4.181 4.320 0.000 0.000 0.206 187 K C 1.765 178.134 176.600 -0.385 0.000 1.049 187 K CA 0.850 56.967 56.287 -0.283 0.000 0.933 187 K CB 0.186 32.667 32.500 -0.032 0.000 0.717 187 K HN 0.097 nan 8.250 nan 0.000 0.442 188 R N -0.091 120.063 120.500 -0.577 0.000 2.122 188 R HA -0.185 4.155 4.340 0.000 0.000 0.236 188 R C 2.294 178.280 176.300 -0.523 0.000 1.129 188 R CA 2.469 58.206 56.100 -0.606 0.000 0.925 188 R CB -0.766 29.030 30.300 -0.840 0.000 0.850 188 R HN 0.224 nan 8.270 nan 0.000 0.431 189 F N 0.885 120.739 119.950 -0.159 0.000 2.186 189 F HA -0.032 4.495 4.527 0.000 0.000 0.299 189 F C 1.975 177.651 175.800 -0.207 0.000 1.090 189 F CA 0.500 58.401 58.000 -0.166 0.000 1.307 189 F CB -0.799 38.097 39.000 -0.173 0.000 1.019 189 F HN -0.061 nan 8.300 nan 0.000 0.489 190 N N 0.345 118.921 118.700 -0.206 0.000 2.364 190 N HA -0.140 4.600 4.740 0.000 0.000 0.183 190 N C 0.889 176.320 175.510 -0.132 0.000 1.022 190 N CA 1.354 54.243 53.050 -0.269 0.000 0.883 190 N CB -0.458 37.688 38.487 -0.569 0.000 0.965 190 N HN 0.318 nan 8.380 nan 0.000 0.438 191 D N -0.531 119.799 120.400 -0.117 0.000 2.349 191 D HA 0.119 4.759 4.640 0.000 0.000 0.214 191 D C 1.094 177.370 176.300 -0.040 0.000 1.063 191 D CA 0.095 54.060 54.000 -0.057 0.000 0.847 191 D CB -0.002 40.763 40.800 -0.059 0.000 0.933 191 D HN 0.103 nan 8.370 nan 0.000 0.513 192 G N -0.361 108.416 108.800 -0.038 0.000 2.616 192 G HA2 0.222 4.182 3.960 0.000 0.000 0.268 192 G HA3 0.222 4.182 3.960 0.000 0.000 0.268 192 G C 0.925 175.830 174.900 0.008 0.000 1.213 192 G CA -0.179 44.916 45.100 -0.008 0.000 0.926 192 G HN -0.023 nan 8.290 nan 0.000 0.523 193 T N -0.638 113.924 114.554 0.013 0.000 3.067 193 T HA 0.016 4.366 4.350 0.000 0.000 0.257 193 T C 0.670 175.383 174.700 0.021 0.000 1.105 193 T CA 0.664 62.774 62.100 0.016 0.000 1.104 193 T CB 0.077 68.951 68.868 0.011 0.000 0.925 193 T HN 0.482 nan 8.240 nan 0.000 0.498 194 D N 1.924 122.340 120.400 0.026 0.000 2.483 194 D HA 0.136 4.776 4.640 0.000 0.000 0.220 194 D C 1.008 177.324 176.300 0.027 0.000 1.173 194 D CA -0.265 53.750 54.000 0.024 0.000 0.964 194 D CB 0.693 41.504 40.800 0.019 0.000 1.046 194 D HN -0.012 nan 8.370 nan 0.000 0.517 195 E N 2.427 122.648 120.200 0.034 0.000 2.333 195 E HA -0.204 4.146 4.350 0.000 0.000 0.200 195 E C 1.218 177.854 176.600 0.060 0.000 1.010 195 E CA 1.299 57.728 56.400 0.048 0.000 0.841 195 E CB 0.237 29.971 29.700 0.057 0.000 0.757 195 E HN 0.475 nan 8.360 nan 0.000 0.508 196 K N -0.311 120.120 120.400 0.052 0.000 2.116 196 K HA 0.012 4.332 4.320 0.000 0.000 0.203 196 K C 1.827 178.467 176.600 0.066 0.000 1.052 196 K CA 0.861 57.202 56.287 0.089 0.000 0.952 196 K CB 0.070 32.609 32.500 0.065 0.000 0.729 196 K HN -0.004 nan 8.250 nan 0.000 0.446 197 K N 1.516 121.896 120.400 -0.034 0.000 2.365 197 K HA -0.003 4.317 4.320 0.000 0.000 0.199 197 K C 0.380 176.876 176.600 -0.173 0.000 1.045 197 K CA 0.470 56.652 56.287 -0.175 0.000 0.962 197 K CB 0.029 32.395 32.500 -0.222 0.000 0.759 197 K HN 0.123 nan 8.250 nan 0.000 0.469 198 K N 1.162 121.523 120.400 -0.066 0.000 2.455 198 K HA 0.008 4.328 4.320 0.000 0.000 0.269 198 K C -0.368 176.095 176.600 -0.228 0.000 0.972 198 K CA 0.200 56.389 56.287 -0.164 0.000 0.938 198 K CB 0.271 32.636 32.500 -0.225 0.000 0.931 198 K HN -0.125 nan 8.250 nan 0.000 0.507 199 L N 3.268 124.257 121.223 -0.390 0.000 2.555 199 L HA 0.264 4.604 4.340 0.000 0.000 0.264 199 L C -1.757 174.869 176.870 -0.406 0.000 0.972 199 L CA -0.277 54.386 54.840 -0.296 0.000 0.876 199 L CB 0.829 42.799 42.059 -0.148 0.000 1.216 199 L HN 0.438 nan 8.230 nan 0.000 0.415 200 Y N 2.884 123.079 120.300 -0.175 0.000 2.299 200 Y HA 0.514 5.064 4.550 0.000 0.000 0.326 200 Y C 0.589 176.390 175.900 -0.166 0.000 1.164 200 Y CA -0.222 57.760 58.100 -0.197 0.000 1.234 200 Y CB 0.938 39.042 38.460 -0.593 0.000 1.219 200 Y HN 0.487 nan 8.280 nan 0.000 0.497 201 C N 4.245 123.640 119.300 0.159 0.000 2.391 201 C HA 0.711 5.171 4.460 0.000 0.000 0.339 201 C C -0.019 175.003 174.990 0.053 0.000 1.205 201 C CA -1.133 57.940 59.018 0.093 0.000 1.937 201 C CB 0.166 28.005 27.740 0.165 0.000 2.341 201 C HN 0.653 nan 8.230 nan 0.000 0.516 202 I N 1.965 122.546 120.570 0.019 0.000 2.468 202 I HA 0.221 4.391 4.170 0.000 0.000 0.285 202 I C -1.182 174.941 176.117 0.010 0.000 1.039 202 I CA -0.364 60.948 61.300 0.019 0.000 1.074 202 I CB 1.013 39.009 38.000 -0.006 0.000 1.228 202 I HN 0.646 nan 8.210 nan 0.000 0.436 203 Y N 7.458 127.721 120.300 -0.062 0.000 2.417 203 Y HA 0.552 5.102 4.550 0.000 0.000 0.336 203 Y C -0.679 175.194 175.900 -0.045 0.000 0.961 203 Y CA -0.660 57.400 58.100 -0.065 0.000 1.215 203 Y CB 0.993 39.429 38.460 -0.040 0.000 1.120 203 Y HN 0.263 nan 8.280 nan 0.000 0.499 204 V N 6.201 125.860 119.914 -0.425 0.000 2.383 204 V HA 0.586 4.706 4.120 0.000 0.000 0.275 204 V C 0.178 176.033 176.094 -0.397 0.000 1.036 204 V CA -0.696 61.450 62.300 -0.256 0.000 0.889 204 V CB 0.800 32.571 31.823 -0.087 0.000 0.985 204 V HN 0.908 nan 8.190 nan 0.000 0.459 205 A N 6.805 129.524 122.820 -0.169 0.000 2.279 205 A HA 0.794 5.114 4.320 0.000 0.000 0.306 205 A C -0.578 176.999 177.584 -0.011 0.000 1.300 205 A CA -0.241 51.761 52.037 -0.058 0.000 0.925 205 A CB -0.192 18.886 19.000 0.131 0.000 1.152 205 A HN 0.732 nan 8.150 nan 0.000 0.544 206 I N 1.951 122.514 120.570 -0.012 0.000 2.389 206 I HA 0.568 4.738 4.170 0.000 0.000 0.288 206 I C 1.170 177.316 176.117 0.050 0.000 0.999 206 I CA 0.550 61.865 61.300 0.025 0.000 1.129 206 I CB 1.783 39.794 38.000 0.019 0.000 1.288 206 I HN 0.945 nan 8.210 nan 0.000 0.444 207 G N 3.561 112.400 108.800 0.065 0.000 2.168 207 G HA2 -0.284 3.676 3.960 0.000 0.000 0.263 207 G HA3 -0.284 3.676 3.960 0.000 0.000 0.263 207 G C 0.388 175.327 174.900 0.065 0.000 0.977 207 G CA 0.072 45.214 45.100 0.071 0.000 0.659 207 G HN 0.601 nan 8.290 nan 0.000 0.533 208 Q N -0.234 119.606 119.800 0.066 0.000 2.396 208 Q HA 0.489 4.829 4.340 0.000 0.000 0.221 208 Q C 0.543 176.580 176.000 0.063 0.000 1.025 208 Q CA -0.372 55.473 55.803 0.070 0.000 0.946 208 Q CB 0.455 29.247 28.738 0.090 0.000 1.224 208 Q HN 0.290 nan 8.270 nan 0.000 0.539 209 K N 1.318 121.753 120.400 0.058 0.000 2.248 209 K HA 0.128 4.448 4.320 0.000 0.000 0.281 209 K C 0.715 177.343 176.600 0.047 0.000 1.054 209 K CA -0.201 56.115 56.287 0.048 0.000 0.903 209 K CB 0.596 33.121 32.500 0.042 0.000 1.077 209 K HN 0.566 nan 8.250 nan 0.000 0.474 210 R N 1.184 121.709 120.500 0.043 0.000 2.134 210 R HA -0.216 4.124 4.340 0.000 0.000 0.248 210 R C 1.919 178.238 176.300 0.032 0.000 1.143 210 R CA 2.409 58.532 56.100 0.039 0.000 0.957 210 R CB -0.557 29.763 30.300 0.033 0.000 0.867 210 R HN 0.714 nan 8.270 nan 0.000 0.441 211 S N 0.372 116.088 115.700 0.027 0.000 2.374 211 S HA -0.164 4.306 4.470 0.000 0.000 0.227 211 S C 2.043 176.655 174.600 0.020 0.000 1.037 211 S CA 2.024 60.236 58.200 0.020 0.000 1.024 211 S CB -0.733 62.477 63.200 0.018 0.000 0.861 211 S HN 0.331 nan 8.310 nan 0.000 0.456 212 T N 2.466 117.038 114.554 0.030 0.000 2.720 212 T HA -0.064 4.286 4.350 0.000 0.000 0.268 212 T C 1.950 176.667 174.700 0.027 0.000 1.037 212 T CA 1.425 63.544 62.100 0.032 0.000 1.144 212 T CB -0.634 68.262 68.868 0.048 0.000 0.864 212 T HN 0.273 nan 8.240 nan 0.000 0.444 213 V N 1.734 121.673 119.914 0.042 0.000 2.343 213 V HA -0.178 3.942 4.120 0.000 0.000 0.247 213 V C 2.903 178.998 176.094 0.002 0.000 1.051 213 V CA 1.690 64.015 62.300 0.041 0.000 1.036 213 V CB -1.240 30.625 31.823 0.071 0.000 0.654 213 V HN 0.540 nan 8.190 nan 0.000 0.451 214 A N -1.080 121.742 122.820 0.004 0.000 1.933 214 A HA -0.237 4.083 4.320 0.000 0.000 0.218 214 A C 2.202 179.771 177.584 -0.025 0.000 1.175 214 A CA 1.555 53.586 52.037 -0.009 0.000 0.628 214 A CB -0.394 18.605 19.000 -0.002 0.000 0.814 214 A HN 0.527 nan 8.150 nan 0.000 0.444 215 Q N -0.852 118.935 119.800 -0.022 0.000 2.123 215 Q HA -0.046 4.294 4.340 0.000 0.000 0.199 215 Q C 2.106 178.072 176.000 -0.057 0.000 0.966 215 Q CA 0.629 56.413 55.803 -0.032 0.000 0.845 215 Q CB -0.422 28.306 28.738 -0.017 0.000 0.907 215 Q HN 0.601 nan 8.270 nan 0.000 0.439 216 L N 0.939 122.119 121.223 -0.071 0.000 2.012 216 L HA -0.131 4.209 4.340 0.000 0.000 0.210 216 L C 2.358 179.140 176.870 -0.147 0.000 1.073 216 L CA 1.882 56.639 54.840 -0.139 0.000 0.748 216 L CB -1.016 40.924 42.059 -0.199 0.000 0.891 216 L HN 0.174 nan 8.230 nan 0.000 0.431 217 V N -1.295 118.554 119.914 -0.107 0.000 2.667 217 V HA -0.209 3.911 4.120 0.000 0.000 0.252 217 V C 2.569 178.613 176.094 -0.084 0.000 1.065 217 V CA 1.838 64.081 62.300 -0.096 0.000 1.083 217 V CB -0.540 31.244 31.823 -0.064 0.000 0.692 217 V HN 0.513 nan 8.190 nan 0.000 0.468 218 K N 0.628 120.984 120.400 -0.072 0.000 2.057 218 K HA -0.228 4.092 4.320 0.000 0.000 0.206 218 K C 2.421 178.969 176.600 -0.087 0.000 1.050 218 K CA 1.838 58.084 56.287 -0.069 0.000 0.935 218 K CB -0.286 32.179 32.500 -0.058 0.000 0.715 218 K HN 0.489 nan 8.250 nan 0.000 0.439 219 R N 0.993 121.434 120.500 -0.098 0.000 2.096 219 R HA -0.035 4.305 4.340 0.000 0.000 0.235 219 R C 1.979 178.213 176.300 -0.109 0.000 1.127 219 R CA 1.436 57.465 56.100 -0.117 0.000 0.968 219 R CB -0.551 29.686 30.300 -0.105 0.000 0.861 219 R HN 0.295 nan 8.270 nan 0.000 0.440 220 L N -0.300 120.854 121.223 -0.115 0.000 2.217 220 L HA -0.077 4.263 4.340 0.000 0.000 0.211 220 L C 1.929 178.725 176.870 -0.123 0.000 1.107 220 L CA 1.587 56.350 54.840 -0.128 0.000 0.783 220 L CB -0.375 41.586 42.059 -0.163 0.000 0.919 220 L HN 0.304 nan 8.230 nan 0.000 0.442 221 T N -1.206 113.285 114.554 -0.104 0.000 2.812 221 T HA -0.131 4.219 4.350 0.000 0.000 0.264 221 T C 1.330 175.986 174.700 -0.074 0.000 1.042 221 T CA 1.176 63.224 62.100 -0.087 0.000 1.140 221 T CB -0.151 68.675 68.868 -0.070 0.000 0.870 221 T HN 0.274 nan 8.240 nan 0.000 0.445 222 D N 1.545 121.898 120.400 -0.079 0.000 2.264 222 D HA 0.049 4.689 4.640 0.000 0.000 0.208 222 D C 1.929 178.190 176.300 -0.067 0.000 0.966 222 D CA 0.697 54.653 54.000 -0.073 0.000 0.864 222 D CB -0.207 40.538 40.800 -0.092 0.000 0.933 222 D HN 0.433 nan 8.370 nan 0.000 0.499 223 A N 0.054 122.833 122.820 -0.069 0.000 2.238 223 A HA 0.068 4.388 4.320 0.000 0.000 0.210 223 A C 0.586 178.155 177.584 -0.024 0.000 1.179 223 A CA 0.534 52.544 52.037 -0.044 0.000 0.827 223 A CB 0.113 19.093 19.000 -0.034 0.000 0.856 223 A HN 0.062 nan 8.150 nan 0.000 0.488 224 D N -3.323 117.050 120.400 -0.045 0.000 2.947 224 D HA -0.177 4.463 4.640 0.000 0.000 0.224 224 D C 0.705 176.977 176.300 -0.047 0.000 1.132 224 D CA 1.042 55.025 54.000 -0.029 0.000 0.801 224 D CB -1.256 39.551 40.800 0.013 0.000 1.097 224 D HN 0.492 nan 8.370 nan 0.000 0.431 225 A N -0.851 121.859 122.820 -0.184 0.000 2.197 225 A HA 0.179 4.499 4.320 0.000 0.000 0.210 225 A C 1.994 179.094 177.584 -0.807 0.000 1.180 225 A CA 0.329 52.022 52.037 -0.574 0.000 0.846 225 A CB -0.003 18.827 19.000 -0.282 0.000 0.884 225 A HN 0.283 nan 8.150 nan 0.000 0.487 226 M N 1.306 120.675 119.600 -0.384 0.000 2.213 226 M HA -0.153 4.327 4.480 0.000 0.000 0.263 226 M C 2.162 178.314 176.300 -0.247 0.000 1.062 226 M CA 1.848 56.982 55.300 -0.277 0.000 1.105 226 M CB -0.853 31.658 32.600 -0.148 0.000 1.385 226 M HN 0.701 nan 8.290 nan 0.000 0.417 227 K N 0.432 120.710 120.400 -0.204 0.000 2.127 227 K HA -0.213 4.108 4.320 0.000 0.000 0.208 227 K C 1.185 177.817 176.600 0.054 0.000 1.047 227 K CA 2.068 58.336 56.287 -0.032 0.000 0.927 227 K CB -0.995 31.543 32.500 0.064 0.000 0.716 227 K HN 0.522 nan 8.250 nan 0.000 0.450 228 Y N 0.563 120.914 120.300 0.085 0.000 2.607 228 Y HA 0.439 4.989 4.550 0.000 0.000 0.266 228 Y C -0.312 175.664 175.900 0.127 0.000 1.178 228 Y CA -0.934 57.260 58.100 0.155 0.000 1.226 228 Y CB -0.018 38.503 38.460 0.103 0.000 1.144 228 Y HN -0.209 nan 8.280 nan 0.000 0.528 229 T N 2.719 117.218 114.554 -0.091 0.000 2.855 229 T HA 0.581 4.931 4.350 0.000 0.000 0.281 229 T C -0.394 174.320 174.700 0.024 0.000 1.007 229 T CA -0.466 61.613 62.100 -0.036 0.000 1.009 229 T CB 1.832 70.607 68.868 -0.154 0.000 0.983 229 T HN 0.142 nan 8.240 nan 0.000 0.455 230 I N 2.440 123.048 120.570 0.063 0.000 2.339 230 I HA 0.403 4.574 4.170 0.000 0.000 0.290 230 I C -0.469 175.691 176.117 0.072 0.000 0.994 230 I CA -1.032 60.309 61.300 0.069 0.000 1.191 230 I CB 1.578 39.635 38.000 0.096 0.000 1.343 230 I HN 0.229 nan 8.210 nan 0.000 0.458 231 V N 7.452 127.405 119.914 0.066 0.000 2.370 231 V HA 0.304 4.424 4.120 0.000 0.000 0.279 231 V C 0.032 176.173 176.094 0.078 0.000 1.029 231 V CA -0.569 61.793 62.300 0.103 0.000 0.870 231 V CB 1.838 33.716 31.823 0.091 0.000 0.984 231 V HN 0.410 nan 8.190 nan 0.000 0.451 232 V N 4.264 124.222 119.914 0.073 0.000 2.357 232 V HA 0.430 4.550 4.120 0.000 0.000 0.284 232 V C 0.197 176.319 176.094 0.047 0.000 1.018 232 V CA -0.198 62.128 62.300 0.043 0.000 0.841 232 V CB 1.627 33.463 31.823 0.021 0.000 0.991 232 V HN 0.806 nan 8.190 nan 0.000 0.437 233 S N 3.795 119.524 115.700 0.049 0.000 2.474 233 S HA 0.746 5.216 4.470 0.000 0.000 0.321 233 S C 0.008 174.636 174.600 0.046 0.000 1.080 233 S CA -0.273 57.961 58.200 0.056 0.000 1.106 233 S CB 0.991 64.230 63.200 0.064 0.000 0.984 233 S HN 1.009 nan 8.310 nan 0.000 0.464 234 A N 4.335 127.184 122.820 0.048 0.000 2.664 234 A HA 0.572 4.892 4.320 0.000 0.000 0.338 234 A C 0.509 178.132 177.584 0.065 0.000 1.280 234 A CA -0.686 51.386 52.037 0.059 0.000 0.809 234 A CB -0.111 18.927 19.000 0.063 0.000 1.114 234 A HN 0.775 nan 8.150 nan 0.000 0.479 235 T N -1.366 113.226 114.554 0.064 0.000 2.770 235 T HA 0.540 4.890 4.350 0.000 0.000 0.281 235 T C 1.628 176.366 174.700 0.064 0.000 0.981 235 T CA 0.069 62.207 62.100 0.063 0.000 0.955 235 T CB 0.911 69.814 68.868 0.057 0.000 1.060 235 T HN 1.054 nan 8.240 nan 0.000 0.531 236 A N 0.962 123.818 122.820 0.059 0.000 1.958 236 A HA -0.118 4.202 4.320 0.000 0.000 0.221 236 A C 2.425 180.041 177.584 0.053 0.000 1.178 236 A CA 2.329 54.400 52.037 0.057 0.000 0.642 236 A CB -1.547 17.483 19.000 0.049 0.000 0.816 236 A HN 1.126 nan 8.150 nan 0.000 0.453 237 S N -0.527 115.203 115.700 0.049 0.000 2.603 237 S HA 0.081 4.551 4.470 0.000 0.000 0.220 237 S C -0.116 174.515 174.600 0.053 0.000 0.967 237 S CA -0.129 58.098 58.200 0.044 0.000 0.920 237 S CB -0.211 63.011 63.200 0.037 0.000 0.773 237 S HN 0.455 nan 8.310 nan 0.000 0.529 238 D N 2.628 123.066 120.400 0.065 0.000 2.302 238 D HA 0.562 5.202 4.640 0.000 0.000 0.248 238 D C 0.275 176.630 176.300 0.092 0.000 1.094 238 D CA -0.054 53.994 54.000 0.079 0.000 0.897 238 D CB 1.325 42.177 40.800 0.087 0.000 1.200 238 D HN 0.344 nan 8.370 nan 0.000 0.429 239 A N 1.479 124.361 122.820 0.103 0.000 2.520 239 A HA 0.342 4.662 4.320 0.000 0.000 0.235 239 A C 1.464 179.131 177.584 0.139 0.000 1.065 239 A CA 0.420 52.519 52.037 0.103 0.000 0.764 239 A CB 0.222 19.280 19.000 0.098 0.000 1.002 239 A HN 0.643 nan 8.150 nan 0.000 0.502 240 A N 3.292 126.178 122.820 0.111 0.000 1.884 240 A HA -0.123 4.197 4.320 0.000 0.000 0.219 240 A C -0.075 177.644 177.584 0.224 0.000 1.197 240 A CA 2.269 54.388 52.037 0.136 0.000 0.637 240 A CB -1.898 17.152 19.000 0.083 0.000 0.827 240 A HN 0.653 nan 8.150 nan 0.000 0.450 241 P HA -0.149 nan 4.420 nan 0.000 0.218 241 P C 1.320 178.991 177.300 0.618 0.000 1.146 241 P CA 0.988 64.316 63.100 0.379 0.000 0.813 241 P CB -0.131 31.643 31.700 0.124 0.000 0.778 242 L N -1.167 120.325 121.223 0.448 0.000 2.068 242 L HA -0.144 4.197 4.340 0.000 0.000 0.204 242 L C 2.623 179.627 176.870 0.223 0.000 1.076 242 L CA 1.385 56.408 54.840 0.305 0.000 0.753 242 L CB -1.089 41.096 42.059 0.210 0.000 0.910 242 L HN -0.054 nan 8.230 nan 0.000 0.439 243 Q N -0.803 119.127 119.800 0.217 0.000 2.135 243 Q HA -0.274 4.066 4.340 0.000 0.000 0.204 243 Q C 2.113 178.248 176.000 0.224 0.000 0.981 243 Q CA 2.016 57.925 55.803 0.178 0.000 0.856 243 Q CB -0.368 28.469 28.738 0.164 0.000 0.902 243 Q HN 0.477 nan 8.270 nan 0.000 0.425 244 Y N 0.968 121.378 120.300 0.182 0.000 2.145 244 Y HA -0.221 4.329 4.550 0.000 0.000 0.286 244 Y C 1.900 177.952 175.900 0.254 0.000 1.145 244 Y CA 1.202 59.436 58.100 0.223 0.000 1.148 244 Y CB -0.270 38.361 38.460 0.285 0.000 0.981 244 Y HN 0.074 nan 8.280 nan 0.000 0.507 245 L N 0.505 121.812 121.223 0.141 0.000 2.179 245 L HA 0.087 4.428 4.340 0.000 0.000 0.208 245 L C 2.518 179.388 176.870 0.000 0.000 1.096 245 L CA 1.623 56.469 54.840 0.009 0.000 0.779 245 L CB -1.203 40.859 42.059 0.005 0.000 0.922 245 L HN 0.305 nan 8.230 nan 0.000 0.443 246 A N 0.517 123.332 122.820 -0.007 0.000 1.903 246 A HA -0.184 4.136 4.320 0.000 0.000 0.219 246 A C -0.066 177.484 177.584 -0.056 0.000 1.191 246 A CA 2.251 54.275 52.037 -0.023 0.000 0.638 246 A CB -2.074 16.928 19.000 0.003 0.000 0.823 246 A HN 0.408 nan 8.150 nan 0.000 0.451 247 P HA -0.136 nan 4.420 nan 0.000 0.216 247 P C 0.920 178.037 177.300 -0.305 0.000 1.153 247 P CA 1.277 64.212 63.100 -0.275 0.000 0.848 247 P CB -0.238 31.081 31.700 -0.635 0.000 0.787 248 Y N -0.203 119.994 120.300 -0.171 0.000 2.200 248 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 248 Y C 2.696 178.557 175.900 -0.065 0.000 1.137 248 Y CA 1.319 59.331 58.100 -0.146 0.000 1.163 248 Y CB -1.541 36.788 38.460 -0.219 0.000 0.988 248 Y HN -0.108 nan 8.280 nan 0.000 0.518 249 S N 0.032 115.773 115.700 0.068 0.000 2.368 249 S HA -0.255 4.215 4.470 0.000 0.000 0.226 249 S C 2.398 177.025 174.600 0.045 0.000 1.044 249 S CA 1.572 59.788 58.200 0.028 0.000 1.062 249 S CB -1.136 62.056 63.200 -0.013 0.000 0.931 249 S HN 0.689 nan 8.310 nan 0.000 0.440 250 G N -0.420 108.415 108.800 0.058 0.000 2.443 250 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 250 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 250 G C 1.661 176.624 174.900 0.105 0.000 1.131 250 G CA 0.923 46.065 45.100 0.070 0.000 0.775 250 G HN 0.592 nan 8.290 nan 0.000 0.547 251 C N 0.325 119.710 119.300 0.142 0.000 2.436 251 C HA -0.021 4.439 4.460 0.000 0.000 0.277 251 C C 3.218 178.283 174.990 0.125 0.000 1.241 251 C CA 1.687 60.799 59.018 0.157 0.000 1.721 251 C CB -0.941 26.888 27.740 0.149 0.000 2.043 251 C HN 0.368 nan 8.230 nan 0.000 0.472 252 S N 0.559 116.320 115.700 0.101 0.000 2.368 252 S HA -0.264 4.206 4.470 0.000 0.000 0.226 252 S C 1.752 176.414 174.600 0.103 0.000 1.044 252 S CA 2.371 60.622 58.200 0.085 0.000 1.062 252 S CB -0.438 62.793 63.200 0.051 0.000 0.931 252 S HN 0.670 nan 8.310 nan 0.000 0.440 253 M N 0.493 120.150 119.600 0.096 0.000 2.202 253 M HA -0.084 4.396 4.480 0.000 0.000 0.262 253 M C 2.384 178.849 176.300 0.275 0.000 1.063 253 M CA 1.534 56.905 55.300 0.119 0.000 1.097 253 M CB -0.790 31.871 32.600 0.102 0.000 1.382 253 M HN 0.454 nan 8.290 nan 0.000 0.413 254 G N -0.058 108.899 108.800 0.262 0.000 2.430 254 G HA2 -0.128 3.832 3.960 0.000 0.000 0.216 254 G HA3 -0.128 3.832 3.960 0.000 0.000 0.216 254 G C 1.338 176.435 174.900 0.328 0.000 1.146 254 G CA 0.270 45.577 45.100 0.346 0.000 0.793 254 G HN 0.479 nan 8.290 nan 0.000 0.537 255 E N -0.509 119.817 120.200 0.210 0.000 2.204 255 E HA -0.168 4.183 4.350 0.000 0.000 0.195 255 E C 1.907 178.588 176.600 0.135 0.000 0.990 255 E CA 0.680 57.171 56.400 0.151 0.000 0.821 255 E CB -0.203 29.561 29.700 0.107 0.000 0.750 255 E HN 0.617 nan 8.360 nan 0.000 0.477 256 Y N 0.611 120.908 120.300 -0.005 0.000 2.128 256 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 256 Y C 1.738 177.518 175.900 -0.200 0.000 1.154 256 Y CA 1.673 59.675 58.100 -0.163 0.000 1.149 256 Y CB -0.414 37.855 38.460 -0.319 0.000 0.976 256 Y HN -0.074 nan 8.280 nan 0.000 0.505 257 F N 0.161 120.087 119.950 -0.040 0.000 2.075 257 F HA -0.142 4.385 4.527 0.000 0.000 0.297 257 F C 2.792 178.516 175.800 -0.127 0.000 1.113 257 F CA 1.865 59.785 58.000 -0.135 0.000 1.218 257 F CB -0.824 38.192 39.000 0.026 0.000 0.984 257 F HN -0.110 nan 8.300 nan 0.000 0.472 258 R N 0.487 121.086 120.500 0.165 0.000 2.133 258 R HA -0.199 4.141 4.340 0.000 0.000 0.247 258 R C 0.608 176.916 176.300 0.013 0.000 1.151 258 R CA 2.024 58.176 56.100 0.086 0.000 0.971 258 R CB -0.420 29.938 30.300 0.097 0.000 0.866 258 R HN 0.216 nan 8.270 nan 0.000 0.447 259 D N -0.457 119.924 120.400 -0.032 0.000 2.388 259 D HA 0.062 4.703 4.640 0.000 0.000 0.221 259 D C -0.481 175.752 176.300 -0.112 0.000 1.133 259 D CA 0.273 54.252 54.000 -0.036 0.000 0.831 259 D CB 0.258 41.051 40.800 -0.011 0.000 0.962 259 D HN 0.260 nan 8.370 nan 0.000 0.502 260 N N -0.885 117.709 118.700 -0.177 0.000 2.598 260 N HA 0.241 4.981 4.740 0.000 0.000 0.295 260 N C 0.766 176.185 175.510 -0.153 0.000 1.729 260 N CA -0.157 52.766 53.050 -0.212 0.000 0.877 260 N CB 1.519 39.760 38.487 -0.411 0.000 1.405 260 N HN -0.030 nan 8.380 nan 0.000 0.491 261 G N 0.502 109.233 108.800 -0.115 0.000 2.200 261 G HA2 -0.377 3.584 3.960 0.000 0.000 0.267 261 G HA3 -0.377 3.584 3.960 0.000 0.000 0.267 261 G C 0.072 174.834 174.900 -0.231 0.000 0.993 261 G CA 0.889 45.906 45.100 -0.139 0.000 0.701 261 G HN 0.348 nan 8.290 nan 0.000 0.524 262 K N -0.794 119.504 120.400 -0.170 0.000 2.211 262 K HA 0.674 4.994 4.320 0.000 0.000 0.237 262 K C -0.362 176.123 176.600 -0.190 0.000 1.002 262 K CA -0.871 55.361 56.287 -0.091 0.000 0.885 262 K CB 0.963 33.621 32.500 0.263 0.000 1.136 262 K HN 0.431 nan 8.250 nan 0.000 0.448 263 H N -0.512 118.674 119.070 0.194 0.000 2.489 263 H HA 0.586 5.142 4.556 0.000 0.000 0.343 263 H C -1.103 174.253 175.328 0.047 0.000 1.086 263 H CA -0.833 55.266 56.048 0.085 0.000 1.198 263 H CB 1.928 31.688 29.762 -0.004 0.000 1.490 263 H HN 0.630 nan 8.280 nan 0.000 0.504 264 A N 2.813 125.703 122.820 0.116 0.000 2.435 264 A HA 0.599 4.919 4.320 0.000 0.000 0.304 264 A C -1.613 175.966 177.584 -0.008 0.000 1.064 264 A CA -0.680 51.334 52.037 -0.039 0.000 0.727 264 A CB 1.311 20.205 19.000 -0.176 0.000 1.284 264 A HN 0.554 nan 8.150 nan 0.000 0.415 265 L N 2.223 123.422 121.223 -0.040 0.000 2.341 265 L HA 0.820 5.160 4.340 0.000 0.000 0.278 265 L C -1.001 175.820 176.870 -0.082 0.000 1.005 265 L CA -0.442 54.371 54.840 -0.044 0.000 0.818 265 L CB 1.225 43.271 42.059 -0.022 0.000 1.259 265 L HN 0.689 nan 8.230 nan 0.000 0.418 266 I N 5.160 125.633 120.570 -0.162 0.000 2.498 266 I HA 0.513 4.683 4.170 0.000 0.000 0.290 266 I C -1.256 174.579 176.117 -0.470 0.000 1.032 266 I CA -0.617 60.488 61.300 -0.324 0.000 1.073 266 I CB 1.605 39.346 38.000 -0.432 0.000 1.251 266 I HN 0.625 nan 8.210 nan 0.000 0.426 267 I N 7.695 128.017 120.570 -0.414 0.000 2.377 267 I HA 0.258 4.428 4.170 0.000 0.000 0.293 267 I C -1.217 174.582 176.117 -0.531 0.000 0.987 267 I CA -0.186 60.896 61.300 -0.362 0.000 1.185 267 I CB 1.220 39.144 38.000 -0.126 0.000 1.341 267 I HN 0.350 nan 8.210 nan 0.000 0.455 268 Y N 3.998 124.166 120.300 -0.220 0.000 2.587 268 Y HA 0.382 4.932 4.550 0.000 0.000 0.328 268 Y C -0.292 175.458 175.900 -0.250 0.000 0.980 268 Y CA -0.971 56.974 58.100 -0.259 0.000 1.272 268 Y CB 0.578 38.895 38.460 -0.239 0.000 1.094 268 Y HN 0.379 nan 8.280 nan 0.000 0.503 269 D N 3.446 123.719 120.400 -0.212 0.000 2.462 269 D HA 0.219 4.859 4.640 0.000 0.000 0.249 269 D C -1.196 175.054 176.300 -0.084 0.000 1.117 269 D CA -0.371 53.532 54.000 -0.162 0.000 0.900 269 D CB 0.344 40.974 40.800 -0.284 0.000 1.039 269 D HN 0.631 nan 8.370 nan 0.000 0.516 270 D N 0.739 121.125 120.400 -0.024 0.000 2.523 270 D HA 0.218 4.858 4.640 0.000 0.000 0.236 270 D C 0.812 177.099 176.300 -0.021 0.000 1.094 270 D CA -0.746 53.243 54.000 -0.018 0.000 0.942 270 D CB 0.994 41.798 40.800 0.007 0.000 1.447 270 D HN 0.115 nan 8.370 nan 0.000 0.479 271 L N 0.231 121.416 121.223 -0.063 0.000 2.492 271 L HA -0.000 4.340 4.340 0.000 0.000 0.223 271 L C 1.683 178.588 176.870 0.058 0.000 1.132 271 L CA 0.369 55.148 54.840 -0.102 0.000 0.850 271 L CB -0.221 41.585 42.059 -0.423 0.000 0.966 271 L HN 0.405 nan 8.230 nan 0.000 0.454 272 S N 0.045 115.780 115.700 0.058 0.000 2.355 272 S HA -0.133 4.337 4.470 0.000 0.000 0.222 272 S C 1.918 176.604 174.600 0.143 0.000 1.031 272 S CA 1.125 59.388 58.200 0.106 0.000 0.993 272 S CB 0.044 63.296 63.200 0.086 0.000 0.859 272 S HN 0.365 nan 8.310 nan 0.000 0.453 273 K N 1.039 121.508 120.400 0.114 0.000 2.097 273 K HA -0.104 4.217 4.320 0.000 0.000 0.206 273 K C 2.411 179.104 176.600 0.154 0.000 1.049 273 K CA 0.876 57.238 56.287 0.125 0.000 0.933 273 K CB -0.163 32.392 32.500 0.092 0.000 0.717 273 K HN 0.351 nan 8.250 nan 0.000 0.442 274 Q N 0.748 120.633 119.800 0.141 0.000 2.050 274 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 274 Q C 2.075 178.228 176.000 0.255 0.000 0.980 274 Q CA 1.583 57.489 55.803 0.172 0.000 0.840 274 Q CB -0.086 28.713 28.738 0.102 0.000 0.898 274 Q HN 0.311 nan 8.270 nan 0.000 0.424 275 A N 0.112 123.081 122.820 0.249 0.000 1.940 275 A HA -0.141 4.179 4.320 0.000 0.000 0.219 275 A C 2.245 180.086 177.584 0.428 0.000 1.176 275 A CA 1.534 53.730 52.037 0.266 0.000 0.631 275 A CB -0.755 18.283 19.000 0.063 0.000 0.814 275 A HN 0.302 nan 8.150 nan 0.000 0.446 276 V N -0.356 119.778 119.914 0.367 0.000 2.407 276 V HA -0.247 3.873 4.120 0.000 0.000 0.248 276 V C 3.008 179.223 176.094 0.201 0.000 1.055 276 V CA 1.937 64.412 62.300 0.292 0.000 1.049 276 V CB -0.965 30.980 31.823 0.203 0.000 0.662 276 V HN 0.630 nan 8.190 nan 0.000 0.455 277 A N -1.251 121.701 122.820 0.220 0.000 1.930 277 A HA -0.223 4.097 4.320 0.000 0.000 0.217 277 A C 2.130 179.845 177.584 0.217 0.000 1.175 277 A CA 1.755 53.910 52.037 0.197 0.000 0.627 277 A CB -0.659 18.475 19.000 0.222 0.000 0.815 277 A HN 0.621 nan 8.150 nan 0.000 0.443 278 Y N 0.617 121.012 120.300 0.158 0.000 2.114 278 Y HA -0.203 4.348 4.550 0.000 0.000 0.284 278 Y C 2.453 178.378 175.900 0.041 0.000 1.143 278 Y CA 2.037 60.189 58.100 0.088 0.000 1.135 278 Y CB -0.601 37.970 38.460 0.185 0.000 0.980 278 Y HN 0.325 nan 8.280 nan 0.000 0.499 279 R N 0.378 120.891 120.500 0.023 0.000 2.133 279 R HA -0.311 4.029 4.340 0.000 0.000 0.247 279 R C 2.448 178.648 176.300 -0.166 0.000 1.151 279 R CA 2.186 58.213 56.100 -0.120 0.000 0.971 279 R CB -0.435 29.814 30.300 -0.085 0.000 0.866 279 R HN 0.644 nan 8.270 nan 0.000 0.447 280 Q N 0.141 119.891 119.800 -0.083 0.000 2.020 280 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 280 Q C 2.208 178.138 176.000 -0.118 0.000 0.982 280 Q CA 2.058 57.814 55.803 -0.078 0.000 0.838 280 Q CB -0.165 28.558 28.738 -0.024 0.000 0.899 280 Q HN 0.456 nan 8.270 nan 0.000 0.423 281 M N -0.270 119.249 119.600 -0.135 0.000 2.080 281 M HA -0.201 4.279 4.480 0.000 0.000 0.260 281 M C 2.347 178.516 176.300 -0.217 0.000 1.068 281 M CA 1.841 57.043 55.300 -0.164 0.000 1.109 281 M CB -0.166 32.318 32.600 -0.192 0.000 1.342 281 M HN 0.275 nan 8.290 nan 0.000 0.405 282 S N 0.529 116.020 115.700 -0.349 0.000 2.351 282 S HA -0.154 4.316 4.470 0.000 0.000 0.220 282 S C 1.725 176.203 174.600 -0.203 0.000 1.035 282 S CA 1.608 59.599 58.200 -0.349 0.000 1.031 282 S CB -0.481 62.365 63.200 -0.589 0.000 0.928 282 S HN 0.526 nan 8.310 nan 0.000 0.433 283 L N 1.068 122.184 121.223 -0.180 0.000 2.042 283 L HA -0.141 4.199 4.340 0.000 0.000 0.210 283 L C 2.326 179.139 176.870 -0.095 0.000 1.076 283 L CA 1.199 55.966 54.840 -0.121 0.000 0.749 283 L CB -0.597 41.394 42.059 -0.113 0.000 0.893 283 L HN 0.335 nan 8.230 nan 0.000 0.432 284 L N -0.654 120.512 121.223 -0.096 0.000 2.275 284 L HA -0.185 4.155 4.340 0.000 0.000 0.215 284 L C 2.146 178.975 176.870 -0.068 0.000 1.119 284 L CA 0.759 55.554 54.840 -0.074 0.000 0.790 284 L CB -0.281 41.736 42.059 -0.069 0.000 0.919 284 L HN 0.302 nan 8.230 nan 0.000 0.443 285 L N -0.238 120.936 121.223 -0.082 0.000 2.599 285 L HA 0.056 4.396 4.340 0.000 0.000 0.230 285 L C 0.538 177.377 176.870 -0.052 0.000 1.141 285 L CA -0.067 54.733 54.840 -0.066 0.000 0.877 285 L CB -0.021 41.992 42.059 -0.077 0.000 1.009 285 L HN 0.283 nan 8.230 nan 0.000 0.447 286 R N -0.158 120.309 120.500 -0.055 0.000 3.774 286 R HA -0.140 4.200 4.340 0.000 0.000 0.320 286 R C -0.237 176.038 176.300 -0.042 0.000 1.175 286 R CA 0.506 56.580 56.100 -0.043 0.000 0.849 286 R CB -2.295 27.987 30.300 -0.030 0.000 1.365 286 R HN 0.362 nan 8.270 nan 0.000 0.502 287 R N 1.520 121.986 120.500 -0.056 0.000 2.254 287 R HA 0.308 4.649 4.340 0.000 0.000 0.318 287 R C -1.933 174.339 176.300 -0.046 0.000 1.031 287 R CA -1.724 54.349 56.100 -0.045 0.000 0.905 287 R CB 0.748 31.017 30.300 -0.050 0.000 1.050 287 R HN -0.133 nan 8.270 nan 0.000 0.456 288 P HA 0.003 nan 4.420 nan 0.000 0.264 288 P C -2.347 174.937 177.300 -0.026 0.000 1.183 288 P CA -0.871 62.213 63.100 -0.026 0.000 0.763 288 P CB -0.058 31.634 31.700 -0.014 0.000 0.807 289 P HA 0.261 nan 4.420 nan 0.000 0.274 289 P C 0.146 177.440 177.300 -0.010 0.000 1.231 289 P CA 0.082 63.162 63.100 -0.033 0.000 0.790 289 P CB 1.008 32.675 31.700 -0.055 0.000 0.951 290 G N 1.031 109.839 108.800 0.014 0.000 3.217 290 G HA2 0.400 4.361 3.960 0.000 0.000 0.213 290 G HA3 0.400 4.361 3.960 0.000 0.000 0.213 290 G C -0.658 174.233 174.900 -0.015 0.000 1.294 290 G CA -1.054 44.057 45.100 0.018 0.000 0.987 290 G HN 0.536 nan 8.290 nan 0.000 0.584 291 R N 0.394 120.845 120.500 -0.083 0.000 2.478 291 R HA -0.042 4.298 4.340 0.000 0.000 0.281 291 R C 0.263 176.484 176.300 -0.132 0.000 0.939 291 R CA 1.250 57.205 56.100 -0.242 0.000 1.120 291 R CB -0.243 29.692 30.300 -0.609 0.000 0.885 291 R HN 0.740 nan 8.270 nan 0.000 0.415 292 E N 2.246 122.395 120.200 -0.085 0.000 2.735 292 E HA -0.378 3.972 4.350 0.000 0.000 0.261 292 E C 0.522 177.088 176.600 -0.057 0.000 1.137 292 E CA 0.516 56.930 56.400 0.022 0.000 0.754 292 E CB -1.054 28.780 29.700 0.224 0.000 1.352 292 E HN 0.870 nan 8.360 nan 0.000 0.430 293 A N -2.593 120.182 122.820 -0.075 0.000 3.891 293 A HA -0.308 4.012 4.320 0.000 0.000 0.247 293 A C 0.293 177.787 177.584 -0.150 0.000 0.892 293 A CA 1.470 53.417 52.037 -0.150 0.000 1.522 293 A CB -1.682 17.171 19.000 -0.245 0.000 0.963 293 A HN 0.363 nan 8.150 nan 0.000 0.773 294 Y N 1.193 121.521 120.300 0.046 0.000 2.550 294 Y HA 0.401 4.952 4.550 0.000 0.000 0.343 294 Y C -1.531 174.415 175.900 0.076 0.000 1.245 294 Y CA -0.795 57.361 58.100 0.094 0.000 1.462 294 Y CB -0.056 38.540 38.460 0.227 0.000 1.340 294 Y HN 0.254 nan 8.280 nan 0.000 0.604 295 P HA 0.035 nan 4.420 nan 0.000 0.272 295 P C 0.713 178.156 177.300 0.240 0.000 1.240 295 P CA 0.181 63.370 63.100 0.147 0.000 0.791 295 P CB 0.720 32.451 31.700 0.051 0.000 0.978 296 G N 1.678 110.590 108.800 0.186 0.000 2.476 296 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 296 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 296 G C 0.685 175.737 174.900 0.253 0.000 1.164 296 G CA 0.889 46.108 45.100 0.198 0.000 0.768 296 G HN 0.646 nan 8.290 nan 0.000 0.560 297 D N 1.085 121.651 120.400 0.276 0.000 2.395 297 D HA 0.064 4.704 4.640 0.000 0.000 0.250 297 D C 1.932 178.416 176.300 0.308 0.000 1.203 297 D CA -0.127 54.063 54.000 0.317 0.000 0.872 297 D CB -0.129 40.875 40.800 0.341 0.000 0.941 297 D HN 0.225 nan 8.370 nan 0.000 0.504 298 V N 0.034 120.118 119.914 0.284 0.000 2.392 298 V HA -0.235 3.885 4.120 0.000 0.000 0.249 298 V C 2.116 178.186 176.094 -0.040 0.000 1.059 298 V CA 1.606 63.971 62.300 0.108 0.000 1.051 298 V CB -1.003 30.858 31.823 0.063 0.000 0.658 298 V HN 0.298 nan 8.190 nan 0.000 0.455 299 F N 0.542 120.455 119.950 -0.061 0.000 2.075 299 F HA -0.267 4.260 4.527 0.000 0.000 0.297 299 F C 2.349 178.180 175.800 0.052 0.000 1.113 299 F CA 2.028 60.002 58.000 -0.044 0.000 1.218 299 F CB -0.693 38.296 39.000 -0.018 0.000 0.984 299 F HN 0.211 nan 8.300 nan 0.000 0.472 300 Y N 1.036 121.302 120.300 -0.056 0.000 2.298 300 Y HA -0.236 4.314 4.550 0.000 0.000 0.287 300 Y C 2.119 177.898 175.900 -0.202 0.000 1.164 300 Y CA 1.670 59.669 58.100 -0.168 0.000 1.229 300 Y CB -0.887 37.592 38.460 0.031 0.000 0.977 300 Y HN 0.319 nan 8.280 nan 0.000 0.538 301 L N -0.688 120.394 121.223 -0.235 0.000 2.046 301 L HA -0.214 4.126 4.340 0.000 0.000 0.208 301 L C 2.160 178.889 176.870 -0.236 0.000 1.077 301 L CA 2.206 56.839 54.840 -0.345 0.000 0.747 301 L CB -0.697 41.077 42.059 -0.475 0.000 0.896 301 L HN 0.328 nan 8.230 nan 0.000 0.432 302 H N -1.818 117.053 119.070 -0.333 0.000 2.431 302 H HA -0.012 4.544 4.556 0.000 0.000 0.295 302 H C 2.401 177.484 175.328 -0.408 0.000 1.038 302 H CA 0.687 56.516 56.048 -0.364 0.000 1.360 302 H CB 0.200 29.781 29.762 -0.303 0.000 1.433 302 H HN 0.543 nan 8.280 nan 0.000 0.536 303 S N 1.274 116.718 115.700 -0.426 0.000 2.351 303 S HA -0.240 4.230 4.470 0.000 0.000 0.220 303 S C 2.080 176.524 174.600 -0.261 0.000 1.035 303 S CA 1.103 59.018 58.200 -0.476 0.000 1.031 303 S CB -0.300 62.379 63.200 -0.869 0.000 0.928 303 S HN 0.293 nan 8.310 nan 0.000 0.433 304 R N 0.440 120.765 120.500 -0.293 0.000 2.115 304 R HA -0.139 4.201 4.340 0.000 0.000 0.239 304 R C 2.478 178.697 176.300 -0.136 0.000 1.133 304 R CA 1.878 57.838 56.100 -0.233 0.000 0.935 304 R CB -0.842 29.169 30.300 -0.481 0.000 0.853 304 R HN 0.505 nan 8.270 nan 0.000 0.433 305 L N 1.024 122.158 121.223 -0.149 0.000 1.963 305 L HA -0.216 4.124 4.340 0.000 0.000 0.220 305 L C 2.014 178.789 176.870 -0.159 0.000 1.076 305 L CA 1.874 56.603 54.840 -0.185 0.000 0.772 305 L CB -0.532 41.252 42.059 -0.458 0.000 0.892 305 L HN 0.241 nan 8.230 nan 0.000 0.435 306 L N -0.703 120.412 121.223 -0.179 0.000 2.376 306 L HA -0.099 4.241 4.340 0.000 0.000 0.219 306 L C 2.369 179.212 176.870 -0.046 0.000 1.133 306 L CA 0.573 55.353 54.840 -0.100 0.000 0.816 306 L CB -0.606 41.383 42.059 -0.117 0.000 0.933 306 L HN 0.369 nan 8.230 nan 0.000 0.449 307 E N 0.316 120.485 120.200 -0.052 0.000 2.347 307 E HA -0.116 4.234 4.350 0.000 0.000 0.196 307 E C 1.979 178.575 176.600 -0.006 0.000 1.008 307 E CA 0.421 56.809 56.400 -0.022 0.000 0.852 307 E CB 0.128 29.818 29.700 -0.016 0.000 0.783 307 E HN 0.472 nan 8.360 nan 0.000 0.505 308 R N 0.344 120.843 120.500 -0.001 0.000 2.280 308 R HA 0.060 4.401 4.340 0.000 0.000 0.207 308 R C 0.692 177.014 176.300 0.037 0.000 1.043 308 R CA 0.247 56.360 56.100 0.020 0.000 1.006 308 R CB 0.204 30.523 30.300 0.032 0.000 0.885 308 R HN -0.092 nan 8.270 nan 0.000 0.467 309 A N 0.967 123.809 122.820 0.037 0.000 2.276 309 A HA 0.687 5.007 4.320 0.000 0.000 0.300 309 A C -0.427 177.171 177.584 0.024 0.000 1.235 309 A CA -0.195 51.869 52.037 0.044 0.000 0.867 309 A CB 0.779 19.811 19.000 0.054 0.000 1.137 309 A HN 0.256 nan 8.150 nan 0.000 0.527 310 A N 2.257 125.092 122.820 0.025 0.000 2.586 310 A HA 0.753 5.073 4.320 0.000 0.000 0.290 310 A C -1.002 176.596 177.584 0.023 0.000 1.086 310 A CA -0.738 51.306 52.037 0.011 0.000 0.665 310 A CB 1.058 20.054 19.000 -0.007 0.000 1.279 310 A HN 0.798 nan 8.150 nan 0.000 0.423 311 K N 1.214 121.621 120.400 0.013 0.000 2.307 311 K HA 0.625 4.946 4.320 0.000 0.000 0.263 311 K C -0.593 176.015 176.600 0.013 0.000 0.973 311 K CA -0.348 55.956 56.287 0.029 0.000 0.846 311 K CB 0.568 33.079 32.500 0.018 0.000 1.100 311 K HN 0.616 nan 8.250 nan 0.000 0.438 312 M N 2.688 122.309 119.600 0.035 0.000 2.291 312 M HA 0.249 4.729 4.480 0.000 0.000 0.324 312 M C 0.338 176.674 176.300 0.061 0.000 1.148 312 M CA -0.763 54.549 55.300 0.020 0.000 1.104 312 M CB 0.579 33.212 32.600 0.056 0.000 1.483 312 M HN 0.764 nan 8.290 nan 0.000 0.467 313 N N 0.365 119.116 118.700 0.084 0.000 2.413 313 N HA 0.146 4.886 4.740 0.000 0.000 0.266 313 N C 0.069 175.673 175.510 0.157 0.000 1.238 313 N CA -0.345 52.777 53.050 0.120 0.000 0.972 313 N CB 0.461 39.025 38.487 0.127 0.000 1.210 313 N HN 0.400 nan 8.380 nan 0.000 0.547 314 D N -0.429 120.037 120.400 0.109 0.000 2.178 314 D HA -0.102 4.539 4.640 0.000 0.000 0.201 314 D C 1.549 177.890 176.300 0.068 0.000 0.980 314 D CA 1.556 55.602 54.000 0.077 0.000 0.842 314 D CB -0.495 40.334 40.800 0.048 0.000 0.948 314 D HN 0.721 nan 8.370 nan 0.000 0.472 315 A N -0.446 122.430 122.820 0.094 0.000 2.121 315 A HA -0.102 4.219 4.320 0.000 0.000 0.218 315 A C 1.434 178.943 177.584 -0.126 0.000 1.154 315 A CA 0.753 52.780 52.037 -0.017 0.000 0.679 315 A CB -0.485 18.513 19.000 -0.003 0.000 0.795 315 A HN 0.155 nan 8.150 nan 0.000 0.458 316 F N -1.806 118.140 119.950 -0.007 0.000 2.661 316 F HA 0.405 4.932 4.527 0.000 0.000 0.306 316 F C 1.685 177.471 175.800 -0.022 0.000 1.094 316 F CA 0.598 58.590 58.000 -0.012 0.000 1.254 316 F CB 0.917 39.913 39.000 -0.006 0.000 1.040 316 F HN 0.323 nan 8.300 nan 0.000 0.562 317 G N -0.727 108.135 108.800 0.103 0.000 2.255 317 G HA2 -0.079 3.881 3.960 0.000 0.000 0.196 317 G HA3 -0.079 3.881 3.960 0.000 0.000 0.196 317 G C 1.189 176.108 174.900 0.031 0.000 0.998 317 G CA -0.237 44.884 45.100 0.035 0.000 0.656 317 G HN 0.881 nan 8.290 nan 0.000 0.490 318 G N -0.068 108.778 108.800 0.077 0.000 2.187 318 G HA2 0.157 4.117 3.960 0.000 0.000 0.261 318 G HA3 0.157 4.117 3.960 0.000 0.000 0.261 318 G C 1.359 176.303 174.900 0.073 0.000 1.000 318 G CA 1.250 46.400 45.100 0.083 0.000 0.718 318 G HN 2.003 nan 8.290 nan 0.000 0.519 319 G N -0.853 107.946 108.800 -0.001 0.000 2.588 319 G HA2 0.777 4.737 3.960 0.000 0.000 0.281 319 G HA3 0.777 4.737 3.960 0.000 0.000 0.281 319 G C 0.225 175.185 174.900 0.100 0.000 1.236 319 G CA 0.784 45.822 45.100 -0.102 0.000 0.969 319 G HN 1.880 nan 8.290 nan 0.000 0.504 320 S N -1.681 114.128 115.700 0.181 0.000 2.552 320 S HA 0.518 4.988 4.470 0.000 0.000 0.272 320 S C -1.722 172.971 174.600 0.154 0.000 1.150 320 S CA -0.772 57.542 58.200 0.191 0.000 0.849 320 S CB 1.772 65.126 63.200 0.256 0.000 1.113 320 S HN 0.988 nan 8.310 nan 0.000 0.458 321 L N 2.263 123.544 121.223 0.097 0.000 2.325 321 L HA 0.752 5.092 4.340 0.000 0.000 0.281 321 L C -0.553 176.344 176.870 0.044 0.000 1.004 321 L CA 0.283 55.170 54.840 0.078 0.000 0.823 321 L CB 1.698 43.807 42.059 0.083 0.000 1.236 321 L HN 0.938 nan 8.230 nan 0.000 0.415 322 T N 4.508 119.073 114.554 0.019 0.000 2.794 322 T HA 0.837 5.187 4.350 0.000 0.000 0.280 322 T C -0.373 174.312 174.700 -0.025 0.000 0.987 322 T CA -0.325 61.773 62.100 -0.004 0.000 0.993 322 T CB 1.385 70.241 68.868 -0.020 0.000 0.939 322 T HN 0.775 nan 8.240 nan 0.000 0.449 323 A N 3.312 126.125 122.820 -0.011 0.000 2.350 323 A HA 0.825 5.145 4.320 0.000 0.000 0.324 323 A C -0.632 176.939 177.584 -0.021 0.000 1.118 323 A CA -0.777 51.245 52.037 -0.025 0.000 0.783 323 A CB 0.731 19.790 19.000 0.098 0.000 1.236 323 A HN 0.855 nan 8.150 nan 0.000 0.457 324 L N 3.543 124.727 121.223 -0.064 0.000 2.488 324 L HA 0.315 4.656 4.340 0.000 0.000 0.250 324 L C -2.457 174.409 176.870 -0.007 0.000 1.280 324 L CA -1.686 53.138 54.840 -0.027 0.000 0.929 324 L CB 1.339 43.380 42.059 -0.029 0.000 1.200 324 L HN 0.483 nan 8.230 nan 0.000 0.495 325 P HA 0.103 nan 4.420 nan 0.000 0.269 325 P C -0.438 176.864 177.300 0.003 0.000 1.215 325 P CA -0.008 63.138 63.100 0.078 0.000 0.780 325 P CB 1.897 33.582 31.700 -0.025 0.000 0.898 326 V N 3.767 123.674 119.914 -0.013 0.000 2.680 326 V HA 0.462 4.582 4.120 0.000 0.000 0.309 326 V C 0.232 176.318 176.094 -0.014 0.000 1.052 326 V CA -0.627 61.671 62.300 -0.004 0.000 0.908 326 V CB 1.967 33.792 31.823 0.004 0.000 1.001 326 V HN 0.416 nan 8.190 nan 0.000 0.431 327 I N 2.885 123.461 120.570 0.010 0.000 2.534 327 I HA 0.394 4.564 4.170 0.000 0.000 0.288 327 I C -0.135 176.013 176.117 0.052 0.000 1.077 327 I CA -0.395 60.916 61.300 0.017 0.000 1.051 327 I CB 2.130 40.135 38.000 0.010 0.000 1.234 327 I HN 0.779 nan 8.210 nan 0.000 0.425 328 E N 4.872 125.105 120.200 0.057 0.000 2.194 328 E HA 0.333 4.683 4.350 0.000 0.000 0.284 328 E C -0.294 176.358 176.600 0.087 0.000 1.035 328 E CA -0.339 56.102 56.400 0.069 0.000 0.836 328 E CB 0.998 30.736 29.700 0.063 0.000 1.070 328 E HN 0.684 nan 8.360 nan 0.000 0.401 329 T N 2.107 116.728 114.554 0.111 0.000 2.847 329 T HA 0.278 4.628 4.350 0.000 0.000 0.279 329 T C -0.004 174.758 174.700 0.104 0.000 0.984 329 T CA -1.002 61.170 62.100 0.120 0.000 0.988 329 T CB 1.281 70.256 68.868 0.178 0.000 1.040 329 T HN 0.343 nan 8.240 nan 0.000 0.528 330 Q N 0.213 120.073 119.800 0.101 0.000 2.325 330 Q HA 0.541 4.881 4.340 0.000 0.000 0.262 330 Q C 0.498 176.551 176.000 0.089 0.000 0.968 330 Q CA -0.118 55.737 55.803 0.088 0.000 0.877 330 Q CB 1.284 30.073 28.738 0.085 0.000 1.253 330 Q HN 1.187 nan 8.270 nan 0.000 0.448 331 A N 2.338 125.207 122.820 0.082 0.000 2.799 331 A HA -0.175 4.145 4.320 0.000 0.000 0.287 331 A C 1.084 178.732 177.584 0.107 0.000 1.484 331 A CA 1.441 53.527 52.037 0.082 0.000 0.813 331 A CB -2.150 16.891 19.000 0.069 0.000 1.009 331 A HN 1.596 nan 8.150 nan 0.000 0.545 332 G N -1.385 107.502 108.800 0.145 0.000 2.198 332 G HA2 -0.154 3.806 3.960 0.000 0.000 0.260 332 G HA3 -0.154 3.806 3.960 0.000 0.000 0.260 332 G C -0.179 174.842 174.900 0.203 0.000 1.025 332 G CA 0.992 46.231 45.100 0.233 0.000 0.769 332 G HN 1.622 nan 8.290 nan 0.000 0.507 333 D N 0.268 120.741 120.400 0.121 0.000 2.456 333 D HA 0.456 5.096 4.640 0.000 0.000 0.219 333 D C 1.692 177.984 176.300 -0.014 0.000 1.126 333 D CA 0.052 54.083 54.000 0.051 0.000 0.890 333 D CB 0.845 41.676 40.800 0.050 0.000 1.025 333 D HN 0.363 nan 8.370 nan 0.000 0.511 334 V N 1.294 121.118 119.914 -0.151 0.000 3.380 334 V HA 0.007 4.127 4.120 0.000 0.000 0.268 334 V C 1.113 177.117 176.094 -0.149 0.000 1.168 334 V CA 0.534 62.670 62.300 -0.272 0.000 1.156 334 V CB -0.503 30.936 31.823 -0.641 0.000 0.785 334 V HN 0.380 nan 8.190 nan 0.000 0.487 335 S N 1.121 116.772 115.700 -0.083 0.000 2.526 335 S HA 0.723 5.193 4.470 0.000 0.000 0.247 335 S C 0.607 175.212 174.600 0.008 0.000 1.076 335 S CA 0.233 58.410 58.200 -0.038 0.000 1.105 335 S CB 0.068 63.250 63.200 -0.029 0.000 0.793 335 S HN 0.742 nan 8.310 nan 0.000 0.458 336 A N 0.495 123.328 122.820 0.022 0.000 2.281 336 A HA 0.680 5.000 4.320 0.000 0.000 0.329 336 A C 0.631 178.284 177.584 0.115 0.000 1.122 336 A CA -0.658 51.426 52.037 0.078 0.000 0.850 336 A CB 0.266 19.317 19.000 0.085 0.000 1.207 336 A HN 0.268 nan 8.150 nan 0.000 0.495 337 Y N 1.283 121.594 120.300 0.018 0.000 1.857 337 Y HA -0.344 4.206 4.550 0.000 0.000 0.218 337 Y C 1.824 177.727 175.900 0.005 0.000 1.057 337 Y CA 2.743 60.852 58.100 0.016 0.000 1.006 337 Y CB -0.896 37.584 38.460 0.033 0.000 0.886 337 Y HN 0.578 nan 8.280 nan 0.000 0.527 338 I N 0.430 120.935 120.570 -0.108 0.000 2.064 338 I HA -0.361 3.809 4.170 0.000 0.000 0.234 338 I C -0.533 175.523 176.117 -0.102 0.000 1.019 338 I CA 2.753 63.919 61.300 -0.222 0.000 1.301 338 I CB -2.354 35.541 38.000 -0.175 0.000 1.017 338 I HN 0.284 nan 8.210 nan 0.000 0.392 339 P HA -0.295 nan 4.420 nan 0.000 0.224 339 P C 1.753 179.030 177.300 -0.038 0.000 1.153 339 P CA 3.186 66.272 63.100 -0.023 0.000 0.947 339 P CB -0.696 30.995 31.700 -0.015 0.000 0.790 340 T N -4.179 110.351 114.554 -0.040 0.000 2.821 340 T HA -0.124 4.226 4.350 0.000 0.000 0.267 340 T C 1.696 176.380 174.700 -0.026 0.000 1.046 340 T CA 1.393 63.472 62.100 -0.035 0.000 1.139 340 T CB -1.162 67.693 68.868 -0.023 0.000 0.871 340 T HN -0.010 nan 8.240 nan 0.000 0.454 341 N N 1.489 120.150 118.700 -0.065 0.000 2.036 341 N HA -0.095 4.645 4.740 0.000 0.000 0.195 341 N C 1.944 177.521 175.510 0.112 0.000 1.037 341 N CA 1.459 54.520 53.050 0.019 0.000 0.855 341 N CB -0.932 37.510 38.487 -0.076 0.000 1.033 341 N HN 0.360 nan 8.380 nan 0.000 0.423 342 V N 1.613 121.551 119.914 0.040 0.000 2.307 342 V HA -0.149 3.971 4.120 0.000 0.000 0.245 342 V C 2.276 178.373 176.094 0.005 0.000 1.045 342 V CA 1.146 63.450 62.300 0.005 0.000 1.024 342 V CB -0.493 31.295 31.823 -0.058 0.000 0.651 342 V HN 0.280 nan 8.190 nan 0.000 0.449 343 I N 1.653 122.223 120.570 -0.001 0.000 2.236 343 I HA -0.250 3.920 4.170 0.000 0.000 0.249 343 I C 2.323 178.454 176.117 0.023 0.000 1.102 343 I CA 2.125 63.424 61.300 -0.002 0.000 1.365 343 I CB -0.600 37.386 38.000 -0.022 0.000 1.051 343 I HN 0.539 nan 8.210 nan 0.000 0.420 344 S N -0.457 115.275 115.700 0.054 0.000 2.650 344 S HA 0.176 4.646 4.470 0.000 0.000 0.219 344 S C 1.361 176.048 174.600 0.144 0.000 0.960 344 S CA 0.033 58.283 58.200 0.084 0.000 0.925 344 S CB -0.193 63.053 63.200 0.076 0.000 0.775 344 S HN 0.438 nan 8.310 nan 0.000 0.525 345 I N 1.052 121.683 120.570 0.101 0.000 3.518 345 I HA 0.079 4.249 4.170 0.000 0.000 0.260 345 I C 1.555 177.686 176.117 0.024 0.000 1.148 345 I CA 0.525 61.868 61.300 0.071 0.000 1.440 345 I CB -0.317 37.677 38.000 -0.011 0.000 1.485 345 I HN 0.346 nan 8.210 nan 0.000 0.456 346 T N -1.083 113.473 114.554 0.004 0.000 2.640 346 T HA 0.004 4.354 4.350 0.000 0.000 0.316 346 T C 0.269 174.974 174.700 0.009 0.000 1.036 346 T CA -0.128 61.972 62.100 -0.001 0.000 1.009 346 T CB 0.385 69.248 68.868 -0.008 0.000 1.017 346 T HN 0.084 nan 8.240 nan 0.000 0.530 347 D N 0.906 121.309 120.400 0.006 0.000 3.071 347 D HA 0.446 5.086 4.640 0.000 0.000 0.259 347 D C 0.844 177.148 176.300 0.008 0.000 1.331 347 D CA 0.274 54.278 54.000 0.007 0.000 0.861 347 D CB -0.291 40.511 40.800 0.004 0.000 1.059 347 D HN 0.996 nan 8.370 nan 0.000 0.486 348 G N 1.354 110.160 108.800 0.010 0.000 2.354 348 G HA2 0.149 4.109 3.960 0.000 0.000 0.582 348 G HA3 0.149 4.109 3.960 0.000 0.000 0.582 348 G C -1.790 173.121 174.900 0.017 0.000 1.316 348 G CA -0.951 44.157 45.100 0.013 0.000 0.995 348 G HN 0.156 nan 8.290 nan 0.000 0.573 349 Q N -0.568 119.249 119.800 0.028 0.000 2.386 349 Q HA 0.562 4.902 4.340 0.000 0.000 0.274 349 Q C -1.565 174.479 176.000 0.074 0.000 1.011 349 Q CA -0.882 54.948 55.803 0.045 0.000 0.867 349 Q CB 1.389 30.149 28.738 0.038 0.000 1.409 349 Q HN 0.945 nan 8.270 nan 0.000 0.395 350 I N 3.084 123.705 120.570 0.085 0.000 2.297 350 I HA 0.319 4.489 4.170 0.000 0.000 0.291 350 I C -0.693 175.529 176.117 0.176 0.000 1.033 350 I CA -0.723 60.637 61.300 0.100 0.000 1.253 350 I CB 0.504 38.540 38.000 0.060 0.000 1.396 350 I HN 0.503 nan 8.210 nan 0.000 0.476 351 F N 8.286 128.245 119.950 0.015 0.000 2.404 351 F HA 0.568 5.095 4.527 0.000 0.000 0.354 351 F C -0.660 175.153 175.800 0.022 0.000 1.122 351 F CA -0.713 57.297 58.000 0.017 0.000 1.080 351 F CB 0.708 39.719 39.000 0.018 0.000 1.131 351 F HN 0.194 nan 8.300 nan 0.000 0.471 352 L N 4.834 125.787 121.223 -0.449 0.000 2.358 352 L HA 0.621 4.961 4.340 0.000 0.000 0.268 352 L C -0.670 175.775 176.870 -0.709 0.000 1.032 352 L CA -0.872 53.715 54.840 -0.423 0.000 0.805 352 L CB 1.633 43.580 42.059 -0.186 0.000 1.253 352 L HN 0.524 nan 8.230 nan 0.000 0.452 353 E N -1.245 118.717 120.200 -0.396 0.000 2.331 353 E HA 0.196 4.546 4.350 0.000 0.000 0.275 353 E C -0.101 176.430 176.600 -0.116 0.000 0.895 353 E CA -0.334 55.882 56.400 -0.306 0.000 0.753 353 E CB 2.219 31.774 29.700 -0.240 0.000 1.216 353 E HN 0.727 nan 8.360 nan 0.000 0.434 354 T N -1.235 113.273 114.554 -0.077 0.000 2.821 354 T HA -0.206 4.144 4.350 0.000 0.000 0.267 354 T C 1.532 176.308 174.700 0.127 0.000 1.046 354 T CA 1.337 63.423 62.100 -0.024 0.000 1.139 354 T CB 0.011 68.913 68.868 0.056 0.000 0.871 354 T HN 0.564 nan 8.240 nan 0.000 0.454 355 E N 1.336 121.611 120.200 0.125 0.000 2.051 355 E HA -0.120 4.230 4.350 0.000 0.000 0.192 355 E C 2.214 178.888 176.600 0.123 0.000 0.991 355 E CA 0.979 57.472 56.400 0.155 0.000 0.799 355 E CB -0.304 29.460 29.700 0.106 0.000 0.748 355 E HN 0.575 nan 8.360 nan 0.000 0.449 356 L N 0.025 121.287 121.223 0.065 0.000 1.994 356 L HA -0.152 4.188 4.340 0.000 0.000 0.208 356 L C 2.607 179.499 176.870 0.037 0.000 1.071 356 L CA 1.392 56.256 54.840 0.040 0.000 0.745 356 L CB -0.724 41.339 42.059 0.007 0.000 0.892 356 L HN 0.165 nan 8.230 nan 0.000 0.431 357 F N 0.133 119.999 119.950 -0.140 0.000 2.063 357 F HA -0.352 4.175 4.527 0.000 0.000 0.298 357 F C 2.363 178.022 175.800 -0.234 0.000 1.105 357 F CA 1.862 59.714 58.000 -0.247 0.000 1.215 357 F CB -0.360 38.391 39.000 -0.415 0.000 0.972 357 F HN -0.036 nan 8.300 nan 0.000 0.483 358 Y N 0.152 120.587 120.300 0.225 0.000 2.439 358 Y HA -0.035 4.515 4.550 0.000 0.000 0.292 358 Y C 2.087 178.007 175.900 0.033 0.000 1.130 358 Y CA 1.007 59.187 58.100 0.133 0.000 1.254 358 Y CB -0.653 37.892 38.460 0.143 0.000 1.000 358 Y HN 0.041 nan 8.280 nan 0.000 0.554 359 K N -0.636 119.848 120.400 0.141 0.000 2.504 359 K HA 0.102 4.422 4.320 0.000 0.000 0.195 359 K C 1.405 178.013 176.600 0.013 0.000 1.036 359 K CA 0.768 57.100 56.287 0.075 0.000 0.984 359 K CB -0.153 32.383 32.500 0.061 0.000 0.788 359 K HN 0.421 nan 8.250 nan 0.000 0.488 360 G N 1.354 110.120 108.800 -0.056 0.000 2.176 360 G HA2 -0.180 3.781 3.960 0.000 0.000 0.232 360 G HA3 -0.180 3.781 3.960 0.000 0.000 0.232 360 G C 0.071 174.889 174.900 -0.138 0.000 0.986 360 G CA -0.491 44.536 45.100 -0.121 0.000 0.643 360 G HN 0.155 nan 8.290 nan 0.000 0.522 361 I N 2.118 122.620 120.570 -0.113 0.000 2.278 361 I HA 0.294 4.464 4.170 0.000 0.000 0.300 361 I C 0.693 176.718 176.117 -0.153 0.000 1.174 361 I CA 0.370 61.617 61.300 -0.088 0.000 1.347 361 I CB -0.602 37.378 38.000 -0.034 0.000 1.473 361 I HN 0.172 nan 8.210 nan 0.000 0.595 362 R N 7.027 127.414 120.500 -0.188 0.000 2.476 362 R HA 0.441 4.781 4.340 0.000 0.000 0.305 362 R C -2.605 173.624 176.300 -0.118 0.000 0.965 362 R CA -1.802 54.169 56.100 -0.215 0.000 0.867 362 R CB 1.961 32.022 30.300 -0.398 0.000 1.176 362 R HN 0.208 nan 8.270 nan 0.000 0.447 363 P HA -0.023 nan 4.420 nan 0.000 0.268 363 P C -0.144 177.135 177.300 -0.035 0.000 1.204 363 P CA -0.053 63.020 63.100 -0.045 0.000 0.768 363 P CB 0.810 32.496 31.700 -0.023 0.000 0.842 364 A N 4.713 127.534 122.820 0.002 0.000 2.711 364 A HA 0.118 4.438 4.320 0.000 0.000 0.242 364 A C 0.791 178.353 177.584 -0.036 0.000 1.607 364 A CA -0.235 51.802 52.037 0.000 0.000 1.370 364 A CB -1.564 17.492 19.000 0.093 0.000 0.934 364 A HN 0.490 nan 8.150 nan 0.000 0.628 365 I N 0.982 121.539 120.570 -0.022 0.000 2.529 365 I HA 0.040 4.210 4.170 0.000 0.000 0.284 365 I C 0.609 176.729 176.117 0.005 0.000 1.082 365 I CA -0.312 60.982 61.300 -0.011 0.000 1.406 365 I CB 0.671 38.678 38.000 0.012 0.000 1.405 365 I HN 0.370 nan 8.210 nan 0.000 0.548 366 N N 6.174 124.889 118.700 0.026 0.000 2.500 366 N HA 0.121 4.861 4.740 0.000 0.000 0.236 366 N C 0.634 176.204 175.510 0.101 0.000 1.022 366 N CA -0.190 52.905 53.050 0.075 0.000 0.935 366 N CB 1.579 40.147 38.487 0.135 0.000 1.147 366 N HN 0.418 nan 8.380 nan 0.000 0.512 367 V N 3.777 123.737 119.914 0.076 0.000 2.332 367 V HA -0.161 3.960 4.120 0.000 0.000 0.248 367 V C 2.419 178.556 176.094 0.072 0.000 1.055 367 V CA 2.297 64.640 62.300 0.071 0.000 1.038 367 V CB -0.908 30.954 31.823 0.066 0.000 0.651 367 V HN 0.750 nan 8.190 nan 0.000 0.450 368 G N -0.286 108.557 108.800 0.073 0.000 2.422 368 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 368 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 368 G C 1.474 176.412 174.900 0.064 0.000 1.146 368 G CA 0.782 45.917 45.100 0.059 0.000 0.769 368 G HN 0.511 nan 8.290 nan 0.000 0.547 369 L N 0.629 121.913 121.223 0.101 0.000 2.529 369 L HA 0.215 4.555 4.340 0.000 0.000 0.223 369 L C 0.740 177.661 176.870 0.086 0.000 1.113 369 L CA -0.181 54.710 54.840 0.084 0.000 0.861 369 L CB 0.209 42.341 42.059 0.122 0.000 1.012 369 L HN 0.005 nan 8.230 nan 0.000 0.461 370 S N 0.407 116.172 115.700 0.109 0.000 2.554 370 S HA 0.542 5.012 4.470 0.000 0.000 0.278 370 S C -0.189 174.444 174.600 0.054 0.000 1.242 370 S CA -0.524 57.732 58.200 0.094 0.000 1.051 370 S CB 2.139 65.399 63.200 0.101 0.000 0.986 370 S HN 0.108 nan 8.310 nan 0.000 0.502 371 V N 0.063 120.001 119.914 0.041 0.000 3.188 371 V HA 0.912 5.032 4.120 0.000 0.000 0.305 371 V C -0.734 175.373 176.094 0.022 0.000 1.232 371 V CA -0.748 61.568 62.300 0.027 0.000 1.043 371 V CB 1.909 33.743 31.823 0.018 0.000 1.068 371 V HN 0.713 nan 8.190 nan 0.000 0.439 372 S N 0.965 116.675 115.700 0.015 0.000 2.502 372 S HA 0.593 5.063 4.470 0.000 0.000 0.304 372 S C 0.332 174.936 174.600 0.007 0.000 1.097 372 S CA -0.775 57.431 58.200 0.010 0.000 1.045 372 S CB 1.665 64.869 63.200 0.007 0.000 1.019 372 S HN 0.856 nan 8.310 nan 0.000 0.481 373 R N 3.241 123.745 120.500 0.005 0.000 2.356 373 R HA 0.220 4.560 4.340 0.000 0.000 0.234 373 R C 0.633 176.934 176.300 0.001 0.000 0.929 373 R CA 0.157 56.260 56.100 0.004 0.000 1.084 373 R CB 0.116 30.420 30.300 0.006 0.000 1.105 373 R HN 0.467 nan 8.270 nan 0.000 0.515 374 V N -0.637 119.277 119.914 -0.001 0.000 3.455 374 V HA 0.217 4.337 4.120 0.000 0.000 0.250 374 V C 1.228 177.319 176.094 -0.006 0.000 1.230 374 V CA 0.824 63.121 62.300 -0.005 0.000 1.105 374 V CB 0.545 32.362 31.823 -0.009 0.000 0.850 374 V HN 0.614 nan 8.190 nan 0.000 0.461 375 G N 1.471 110.269 108.800 -0.004 0.000 2.601 375 G HA2 -0.358 3.602 3.960 0.000 0.000 0.261 375 G HA3 -0.358 3.602 3.960 0.000 0.000 0.261 375 G C 1.068 175.965 174.900 -0.006 0.000 1.289 375 G CA 0.799 45.898 45.100 -0.003 0.000 0.920 375 G HN 0.955 nan 8.290 nan 0.000 0.571 376 S N -0.334 115.362 115.700 -0.006 0.000 2.465 376 S HA 0.124 4.594 4.470 0.000 0.000 0.241 376 S C 2.526 177.119 174.600 -0.012 0.000 1.000 376 S CA 1.809 60.005 58.200 -0.007 0.000 0.964 376 S CB -0.476 62.721 63.200 -0.005 0.000 0.763 376 S HN 2.205 nan 8.310 nan 0.000 0.512 377 A N 0.857 123.669 122.820 -0.012 0.000 2.234 377 A HA 0.401 4.721 4.320 0.000 0.000 0.216 377 A C 2.008 179.578 177.584 -0.024 0.000 1.167 377 A CA 1.231 53.258 52.037 -0.016 0.000 0.698 377 A CB -0.823 18.168 19.000 -0.014 0.000 0.779 377 A HN 0.972 nan 8.150 nan 0.000 0.475 378 A N -1.525 121.280 122.820 -0.025 0.000 2.470 378 A HA 0.393 4.713 4.320 0.000 0.000 0.251 378 A C 0.610 178.171 177.584 -0.038 0.000 1.245 378 A CA -0.243 51.772 52.037 -0.037 0.000 0.932 378 A CB 0.198 19.179 19.000 -0.033 0.000 1.037 378 A HN 0.555 nan 8.150 nan 0.000 0.522 379 Q N 0.470 120.253 119.800 -0.028 0.000 2.301 379 Q HA 0.469 4.809 4.340 0.000 0.000 0.267 379 Q C 0.030 176.015 176.000 -0.024 0.000 1.035 379 Q CA -0.531 55.258 55.803 -0.023 0.000 0.856 379 Q CB 1.648 30.380 28.738 -0.011 0.000 1.337 379 Q HN 0.444 nan 8.270 nan 0.000 0.450 380 T N -1.221 113.320 114.554 -0.022 0.000 2.766 380 T HA 0.162 4.512 4.350 0.000 0.000 0.295 380 T C 0.930 175.625 174.700 -0.008 0.000 1.024 380 T CA -0.525 61.564 62.100 -0.019 0.000 1.018 380 T CB 0.747 69.605 68.868 -0.016 0.000 1.002 380 T HN 0.463 nan 8.240 nan 0.000 0.532 381 R N 1.089 121.585 120.500 -0.005 0.000 2.083 381 R HA 0.060 4.400 4.340 0.000 0.000 0.237 381 R C 2.813 179.120 176.300 0.011 0.000 1.137 381 R CA 1.802 57.904 56.100 0.002 0.000 0.951 381 R CB -1.649 28.653 30.300 0.002 0.000 0.851 381 R HN 0.854 nan 8.270 nan 0.000 0.434 382 A N 0.786 123.613 122.820 0.012 0.000 1.859 382 A HA -0.299 4.022 4.320 0.000 0.000 0.218 382 A C 2.175 179.779 177.584 0.034 0.000 1.209 382 A CA 2.304 54.356 52.037 0.024 0.000 0.639 382 A CB -0.690 18.322 19.000 0.019 0.000 0.835 382 A HN 0.368 nan 8.150 nan 0.000 0.450 383 M N -0.158 119.457 119.600 0.025 0.000 2.279 383 M HA -0.081 4.399 4.480 0.000 0.000 0.264 383 M C 1.851 178.163 176.300 0.021 0.000 1.062 383 M CA 2.340 57.656 55.300 0.027 0.000 1.099 383 M CB -0.359 32.252 32.600 0.018 0.000 1.394 383 M HN 0.461 nan 8.290 nan 0.000 0.426 384 K N -0.608 119.800 120.400 0.014 0.000 2.217 384 K HA -0.161 4.159 4.320 0.000 0.000 0.202 384 K C 1.843 178.452 176.600 0.014 0.000 1.051 384 K CA 1.385 57.678 56.287 0.009 0.000 0.952 384 K CB -0.040 32.462 32.500 0.004 0.000 0.736 384 K HN 0.567 nan 8.250 nan 0.000 0.453 385 Q N 0.304 120.120 119.800 0.026 0.000 1.993 385 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 385 Q C 2.246 178.265 176.000 0.031 0.000 0.984 385 Q CA 2.187 58.010 55.803 0.033 0.000 0.837 385 Q CB -0.214 28.556 28.738 0.054 0.000 0.902 385 Q HN 0.349 nan 8.270 nan 0.000 0.423 386 V N -1.899 118.044 119.914 0.048 0.000 2.307 386 V HA -0.068 4.052 4.120 0.000 0.000 0.245 386 V C 1.953 178.048 176.094 0.002 0.000 1.045 386 V CA 1.827 64.147 62.300 0.033 0.000 1.024 386 V CB -1.027 30.842 31.823 0.077 0.000 0.651 386 V HN 0.290 nan 8.190 nan 0.000 0.449 387 A N 0.544 123.369 122.820 0.008 0.000 2.238 387 A HA 0.382 4.702 4.320 0.000 0.000 0.210 387 A C 2.251 179.832 177.584 -0.005 0.000 1.179 387 A CA 0.945 52.982 52.037 -0.001 0.000 0.827 387 A CB -1.055 17.950 19.000 0.007 0.000 0.856 387 A HN 0.760 nan 8.150 nan 0.000 0.488 388 G N 0.932 109.730 108.800 -0.004 0.000 2.740 388 G HA2 -0.396 3.564 3.960 0.000 0.000 0.224 388 G HA3 -0.396 3.564 3.960 0.000 0.000 0.224 388 G C 1.443 176.337 174.900 -0.009 0.000 1.156 388 G CA 2.137 47.234 45.100 -0.006 0.000 0.766 388 G HN 0.974 nan 8.290 nan 0.000 0.623 389 T N -3.090 111.455 114.554 -0.015 0.000 3.132 389 T HA 0.436 4.786 4.350 0.000 0.000 0.274 389 T C 1.873 176.566 174.700 -0.013 0.000 1.011 389 T CA 0.631 62.723 62.100 -0.013 0.000 0.899 389 T CB 0.276 69.133 68.868 -0.018 0.000 1.089 389 T HN 0.190 nan 8.240 nan 0.000 0.543 390 M N 1.449 121.040 119.600 -0.015 0.000 2.082 390 M HA -0.099 4.381 4.480 0.000 0.000 0.258 390 M C 2.371 178.673 176.300 0.004 0.000 1.069 390 M CA 1.845 57.136 55.300 -0.014 0.000 1.102 390 M CB -0.182 32.409 32.600 -0.015 0.000 1.336 390 M HN 0.229 nan 8.290 nan 0.000 0.404 391 K N 0.144 120.549 120.400 0.009 0.000 1.991 391 K HA -0.189 4.131 4.320 0.000 0.000 0.212 391 K C 1.784 178.399 176.600 0.026 0.000 1.049 391 K CA 1.808 58.107 56.287 0.020 0.000 0.932 391 K CB -0.343 32.167 32.500 0.018 0.000 0.717 391 K HN 0.399 nan 8.250 nan 0.000 0.441 392 L N 0.635 121.868 121.223 0.017 0.000 2.131 392 L HA -0.167 4.173 4.340 0.000 0.000 0.210 392 L C 2.620 179.505 176.870 0.026 0.000 1.092 392 L CA 1.232 56.082 54.840 0.018 0.000 0.759 392 L CB -0.500 41.564 42.059 0.008 0.000 0.903 392 L HN 0.439 nan 8.230 nan 0.000 0.435 393 E N 0.986 121.199 120.200 0.022 0.000 2.051 393 E HA -0.227 4.123 4.350 0.000 0.000 0.192 393 E C 2.394 179.042 176.600 0.080 0.000 0.991 393 E CA 1.111 57.530 56.400 0.030 0.000 0.799 393 E CB -0.038 29.661 29.700 -0.001 0.000 0.748 393 E HN 0.452 nan 8.360 nan 0.000 0.449 394 L N 0.551 121.823 121.223 0.081 0.000 2.042 394 L HA -0.212 4.128 4.340 0.000 0.000 0.210 394 L C 2.757 179.728 176.870 0.168 0.000 1.076 394 L CA 1.214 56.148 54.840 0.156 0.000 0.749 394 L CB -0.588 41.535 42.059 0.106 0.000 0.893 394 L HN 0.279 nan 8.230 nan 0.000 0.432 395 A N -0.827 122.046 122.820 0.089 0.000 1.865 395 A HA -0.250 4.070 4.320 0.000 0.000 0.217 395 A C 2.201 179.807 177.584 0.038 0.000 1.191 395 A CA 1.424 53.492 52.037 0.052 0.000 0.623 395 A CB -0.542 18.478 19.000 0.033 0.000 0.826 395 A HN 0.386 nan 8.150 nan 0.000 0.444 396 Q N -1.463 118.366 119.800 0.048 0.000 2.152 396 Q HA -0.227 4.113 4.340 0.000 0.000 0.206 396 Q C 1.937 177.973 176.000 0.060 0.000 0.985 396 Q CA 2.062 57.886 55.803 0.036 0.000 0.863 396 Q CB -0.649 28.111 28.738 0.037 0.000 0.904 396 Q HN 0.907 nan 8.270 nan 0.000 0.422 397 Y N 1.268 121.565 120.300 -0.004 0.000 2.128 397 Y HA -0.210 4.340 4.550 0.000 0.000 0.284 397 Y C 2.196 178.103 175.900 0.011 0.000 1.154 397 Y CA 1.792 59.891 58.100 -0.001 0.000 1.149 397 Y CB -0.396 38.061 38.460 -0.006 0.000 0.976 397 Y HN -0.044 nan 8.280 nan 0.000 0.505 398 R N 0.148 120.384 120.500 -0.441 0.000 2.127 398 R HA -0.172 4.168 4.340 0.000 0.000 0.238 398 R C 2.374 178.528 176.300 -0.243 0.000 1.134 398 R CA 1.420 57.235 56.100 -0.475 0.000 0.975 398 R CB -0.322 29.852 30.300 -0.210 0.000 0.865 398 R HN 0.407 nan 8.270 nan 0.000 0.447 399 E N 0.568 120.693 120.200 -0.126 0.000 2.107 399 E HA -0.109 4.241 4.350 0.000 0.000 0.191 399 E C 1.787 178.367 176.600 -0.033 0.000 0.982 399 E CA 1.033 57.396 56.400 -0.061 0.000 0.809 399 E CB 0.220 29.892 29.700 -0.047 0.000 0.756 399 E HN 0.124 nan 8.360 nan 0.000 0.459 400 V N 1.038 120.925 119.914 -0.045 0.000 2.719 400 V HA -0.111 4.009 4.120 0.000 0.000 0.252 400 V C 2.458 178.561 176.094 0.014 0.000 1.065 400 V CA 1.347 63.664 62.300 0.028 0.000 1.086 400 V CB -0.500 31.351 31.823 0.047 0.000 0.700 400 V HN 0.286 nan 8.190 nan 0.000 0.467 401 A N 0.104 122.853 122.820 -0.119 0.000 1.929 401 A HA 0.016 4.336 4.320 0.000 0.000 0.216 401 A C 2.404 179.952 177.584 -0.060 0.000 1.176 401 A CA 1.698 53.656 52.037 -0.132 0.000 0.628 401 A CB -0.542 18.246 19.000 -0.352 0.000 0.816 401 A HN 0.511 nan 8.150 nan 0.000 0.444 402 A N -0.793 122.006 122.820 -0.035 0.000 1.845 402 A HA -0.065 4.255 4.320 0.000 0.000 0.215 402 A C 2.003 179.651 177.584 0.106 0.000 1.195 402 A CA 1.614 53.673 52.037 0.036 0.000 0.616 402 A CB -0.907 18.120 19.000 0.045 0.000 0.832 402 A HN 0.660 nan 8.150 nan 0.000 0.443 403 F N 0.949 120.873 119.950 -0.044 0.000 2.250 403 F HA -0.042 4.485 4.527 0.000 0.000 0.301 403 F C 1.940 177.606 175.800 -0.223 0.000 1.077 403 F CA 0.978 58.944 58.000 -0.057 0.000 1.348 403 F CB -0.114 38.846 39.000 -0.068 0.000 1.040 403 F HN 0.191 nan 8.300 nan 0.000 0.509 404 A N -0.333 122.349 122.820 -0.231 0.000 2.577 404 A HA 0.155 4.475 4.320 0.000 0.000 0.280 404 A C 1.468 178.878 177.584 -0.289 0.000 1.331 404 A CA -0.288 51.472 52.037 -0.461 0.000 0.935 404 A CB -0.800 18.059 19.000 -0.234 0.000 1.082 404 A HN 0.476 nan 8.150 nan 0.000 0.525 405 Q N -0.191 119.555 119.800 -0.090 0.000 2.594 405 Q HA 0.021 4.361 4.340 0.000 0.000 0.219 405 Q C -0.611 175.547 176.000 0.263 0.000 0.980 405 Q CA 0.511 56.383 55.803 0.115 0.000 0.962 405 Q CB -0.508 28.334 28.738 0.172 0.000 0.987 405 Q HN 0.849 nan 8.270 nan 0.000 0.553 406 F N -5.802 114.089 119.950 -0.097 0.000 2.668 406 F HA 0.523 5.050 4.527 0.000 0.000 0.309 406 F C 0.252 175.994 175.800 -0.096 0.000 1.117 406 F CA -1.881 56.065 58.000 -0.090 0.000 0.951 406 F CB 0.279 39.218 39.000 -0.100 0.000 1.323 406 F HN -0.259 nan 8.300 nan 0.000 0.451 407 G N 0.862 109.667 108.800 0.007 0.000 2.909 407 G HA2 0.262 4.222 3.960 0.000 0.000 0.269 407 G HA3 0.262 4.222 3.960 0.000 0.000 0.269 407 G C -0.183 174.631 174.900 -0.143 0.000 0.726 407 G CA -0.215 44.839 45.100 -0.076 0.000 2.082 407 G HN 0.623 nan 8.290 nan 0.000 0.588 408 S N 2.718 118.183 115.700 -0.391 0.000 3.593 408 S HA 0.066 4.536 4.470 0.000 0.000 0.224 408 S C 0.851 175.342 174.600 -0.181 0.000 1.333 408 S CA 0.242 58.204 58.200 -0.397 0.000 1.164 408 S CB -0.394 62.316 63.200 -0.817 0.000 1.281 408 S HN 0.911 nan 8.310 nan 0.000 0.457 409 D N 0.303 120.647 120.400 -0.094 0.000 2.740 409 D HA -0.243 4.397 4.640 0.000 0.000 0.231 409 D C -0.533 175.743 176.300 -0.040 0.000 1.194 409 D CA 0.238 54.210 54.000 -0.045 0.000 0.673 409 D CB -1.639 39.150 40.800 -0.019 0.000 0.995 409 D HN 0.409 nan 8.370 nan 0.000 0.411 410 L N 1.810 123.000 121.223 -0.054 0.000 2.654 410 L HA -0.031 4.309 4.340 0.000 0.000 0.271 410 L C 1.699 178.561 176.870 -0.014 0.000 1.169 410 L CA 0.256 55.076 54.840 -0.034 0.000 0.947 410 L CB 0.076 42.112 42.059 -0.039 0.000 1.232 410 L HN 0.254 nan 8.230 nan 0.000 0.486 411 D N 3.098 123.497 120.400 -0.002 0.000 2.352 411 D HA -0.017 4.623 4.640 0.000 0.000 0.238 411 D C 0.998 177.297 176.300 -0.002 0.000 1.286 411 D CA 0.101 54.101 54.000 -0.000 0.000 0.923 411 D CB 0.960 41.763 40.800 0.005 0.000 1.146 411 D HN 0.466 nan 8.370 nan 0.000 0.471 412 A N 0.165 122.982 122.820 -0.004 0.000 1.930 412 A HA 0.038 4.358 4.320 0.000 0.000 0.217 412 A C 2.226 179.805 177.584 -0.009 0.000 1.175 412 A CA 2.259 54.291 52.037 -0.008 0.000 0.627 412 A CB -0.976 18.018 19.000 -0.009 0.000 0.815 412 A HN 0.687 nan 8.150 nan 0.000 0.443 413 A N -0.130 122.687 122.820 -0.006 0.000 1.873 413 A HA -0.103 4.217 4.320 0.000 0.000 0.215 413 A C 2.491 180.076 177.584 0.001 0.000 1.186 413 A CA 2.582 54.615 52.037 -0.006 0.000 0.616 413 A CB -1.415 17.581 19.000 -0.005 0.000 0.823 413 A HN 0.764 nan 8.150 nan 0.000 0.442 414 T N -2.480 112.080 114.554 0.010 0.000 2.821 414 T HA -0.197 4.153 4.350 0.000 0.000 0.267 414 T C 1.970 176.685 174.700 0.025 0.000 1.046 414 T CA 1.560 63.676 62.100 0.026 0.000 1.139 414 T CB -0.407 68.482 68.868 0.035 0.000 0.871 414 T HN 0.539 nan 8.240 nan 0.000 0.454 415 Q N -0.092 119.713 119.800 0.009 0.000 2.124 415 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 415 Q C 2.640 178.637 176.000 -0.004 0.000 0.977 415 Q CA 1.168 56.974 55.803 0.004 0.000 0.850 415 Q CB -0.115 28.620 28.738 -0.005 0.000 0.901 415 Q HN 0.477 nan 8.270 nan 0.000 0.429 416 Q N 0.409 120.201 119.800 -0.013 0.000 1.990 416 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 416 Q C 2.227 178.203 176.000 -0.041 0.000 0.980 416 Q CA 1.395 57.178 55.803 -0.033 0.000 0.832 416 Q CB -0.523 28.192 28.738 -0.037 0.000 0.897 416 Q HN 0.462 nan 8.270 nan 0.000 0.427 417 L N 0.660 121.870 121.223 -0.021 0.000 2.089 417 L HA -0.191 4.149 4.340 0.000 0.000 0.213 417 L C 2.124 178.993 176.870 -0.002 0.000 1.079 417 L CA 1.711 56.544 54.840 -0.013 0.000 0.758 417 L CB -0.694 41.382 42.059 0.029 0.000 0.891 417 L HN 0.225 nan 8.230 nan 0.000 0.433 418 L N -0.743 120.516 121.223 0.059 0.000 2.141 418 L HA -0.119 4.221 4.340 0.000 0.000 0.209 418 L C 2.437 179.275 176.870 -0.053 0.000 1.094 418 L CA 1.180 56.094 54.840 0.123 0.000 0.763 418 L CB -0.858 41.298 42.059 0.161 0.000 0.908 418 L HN 0.345 nan 8.230 nan 0.000 0.437 419 S N -0.705 114.953 115.700 -0.071 0.000 2.406 419 S HA -0.050 4.420 4.470 0.000 0.000 0.228 419 S C 2.052 176.549 174.600 -0.172 0.000 1.020 419 S CA 0.467 58.607 58.200 -0.100 0.000 0.965 419 S CB -0.161 62.995 63.200 -0.072 0.000 0.798 419 S HN 0.309 nan 8.310 nan 0.000 0.488 420 R N 1.557 121.935 120.500 -0.204 0.000 2.075 420 R HA 0.016 4.356 4.340 0.000 0.000 0.230 420 R C 2.750 178.834 176.300 -0.361 0.000 1.140 420 R CA 1.634 57.592 56.100 -0.237 0.000 0.928 420 R CB -1.594 28.583 30.300 -0.205 0.000 0.834 420 R HN 0.505 nan 8.270 nan 0.000 0.429 421 G N 0.752 109.171 108.800 -0.635 0.000 2.556 421 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 421 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 421 G C 1.590 175.991 174.900 -0.831 0.000 1.156 421 G CA 1.528 45.911 45.100 -1.195 0.000 0.766 421 G HN 0.235 nan 8.290 nan 0.000 0.583 422 V N 1.036 120.601 119.914 -0.582 0.000 2.332 422 V HA -0.184 3.936 4.120 0.000 0.000 0.248 422 V C 2.959 178.974 176.094 -0.132 0.000 1.055 422 V CA 2.045 64.242 62.300 -0.172 0.000 1.038 422 V CB -0.463 31.332 31.823 -0.047 0.000 0.651 422 V HN 0.321 nan 8.190 nan 0.000 0.450 423 R N -0.155 120.247 120.500 -0.163 0.000 2.090 423 R HA 0.051 4.391 4.340 0.000 0.000 0.228 423 R C 2.295 178.532 176.300 -0.105 0.000 1.110 423 R CA 1.011 57.042 56.100 -0.115 0.000 0.973 423 R CB -0.678 29.544 30.300 -0.129 0.000 0.869 423 R HN 0.426 nan 8.270 nan 0.000 0.440 424 L N 0.656 121.791 121.223 -0.148 0.000 2.042 424 L HA -0.168 4.172 4.340 0.000 0.000 0.210 424 L C 2.348 179.182 176.870 -0.060 0.000 1.076 424 L CA 1.563 56.339 54.840 -0.107 0.000 0.749 424 L CB -0.858 41.122 42.059 -0.132 0.000 0.893 424 L HN 0.203 nan 8.230 nan 0.000 0.432 425 T N -0.977 113.543 114.554 -0.057 0.000 2.684 425 T HA -0.178 4.172 4.350 0.000 0.000 0.267 425 T C 1.784 176.482 174.700 -0.002 0.000 1.036 425 T CA 1.218 63.316 62.100 -0.003 0.000 1.148 425 T CB -0.146 68.744 68.868 0.037 0.000 0.863 425 T HN 0.284 nan 8.240 nan 0.000 0.436 426 E N 1.066 121.259 120.200 -0.011 0.000 2.077 426 E HA -0.027 4.324 4.350 0.000 0.000 0.193 426 E C 2.275 178.880 176.600 0.008 0.000 0.989 426 E CA 0.803 57.205 56.400 0.003 0.000 0.800 426 E CB -0.488 29.216 29.700 0.006 0.000 0.746 426 E HN 0.466 nan 8.360 nan 0.000 0.452 427 L N 0.297 121.521 121.223 0.001 0.000 2.201 427 L HA -0.098 4.242 4.340 0.000 0.000 0.212 427 L C 2.175 179.052 176.870 0.011 0.000 1.105 427 L CA 0.522 55.370 54.840 0.013 0.000 0.775 427 L CB -0.196 41.865 42.059 0.004 0.000 0.913 427 L HN 0.062 nan 8.230 nan 0.000 0.440 428 L N -0.927 120.298 121.223 0.002 0.000 2.599 428 L HA 0.022 4.362 4.340 0.000 0.000 0.230 428 L C 0.883 177.750 176.870 -0.005 0.000 1.141 428 L CA 0.130 54.971 54.840 0.002 0.000 0.877 428 L CB -0.411 41.650 42.059 0.004 0.000 1.009 428 L HN 0.113 nan 8.230 nan 0.000 0.447 429 K N 1.049 121.445 120.400 -0.007 0.000 2.168 429 K HA 0.352 4.672 4.320 0.000 0.000 0.258 429 K C -0.175 176.412 176.600 -0.021 0.000 1.010 429 K CA -0.028 56.246 56.287 -0.023 0.000 0.929 429 K CB 0.884 33.370 32.500 -0.023 0.000 0.998 429 K HN -0.064 nan 8.250 nan 0.000 0.479 430 Q N -0.158 119.620 119.800 -0.037 0.000 2.574 430 Q HA 0.279 4.619 4.340 0.000 0.000 0.265 430 Q C -1.056 174.911 176.000 -0.054 0.000 0.975 430 Q CA -0.528 55.255 55.803 -0.032 0.000 0.923 430 Q CB 1.456 30.179 28.738 -0.025 0.000 1.518 430 Q HN 0.783 nan 8.270 nan 0.000 0.401 431 G N 1.457 110.230 108.800 -0.044 0.000 2.509 431 G HA2 0.481 4.441 3.960 0.000 0.000 0.269 431 G HA3 0.481 4.441 3.960 0.000 0.000 0.269 431 G C -0.769 174.077 174.900 -0.090 0.000 1.416 431 G CA -0.261 44.805 45.100 -0.058 0.000 1.052 431 G HN 0.594 nan 8.290 nan 0.000 0.542 432 Q N -2.114 117.610 119.800 -0.127 0.000 2.297 432 Q HA 0.452 4.792 4.340 0.000 0.000 0.269 432 Q C -1.173 174.746 176.000 -0.135 0.000 1.051 432 Q CA -0.900 54.722 55.803 -0.302 0.000 0.869 432 Q CB 1.876 30.157 28.738 -0.761 0.000 1.346 432 Q HN 0.497 nan 8.270 nan 0.000 0.457 433 Y N -1.204 119.094 120.300 -0.003 0.000 4.272 433 Y HA -0.227 4.324 4.550 0.000 0.000 0.232 433 Y C -0.133 175.760 175.900 -0.012 0.000 1.149 433 Y CA 0.631 58.726 58.100 -0.009 0.000 1.961 433 Y CB -2.086 36.368 38.460 -0.010 0.000 1.611 433 Y HN 0.475 nan 8.280 nan 0.000 0.682 434 S N -0.390 115.359 115.700 0.082 0.000 2.606 434 S HA 0.339 4.809 4.470 0.000 0.000 0.156 434 S C -2.436 172.173 174.600 0.014 0.000 1.308 434 S CA -0.923 57.304 58.200 0.046 0.000 1.228 434 S CB 0.856 64.081 63.200 0.041 0.000 1.568 434 S HN -0.037 nan 8.310 nan 0.000 0.397 435 P HA 0.069 nan 4.420 nan 0.000 0.263 435 P C -0.328 176.969 177.300 -0.006 0.000 1.175 435 P CA 0.443 63.544 63.100 0.003 0.000 0.761 435 P CB 0.314 32.018 31.700 0.007 0.000 0.794 436 M N 1.828 121.429 119.600 0.001 0.000 2.277 436 M HA 0.437 4.917 4.480 0.000 0.000 0.350 436 M C 0.600 176.902 176.300 0.004 0.000 1.180 436 M CA -0.728 54.571 55.300 -0.001 0.000 1.103 436 M CB 1.420 34.023 32.600 0.006 0.000 1.577 436 M HN 0.331 nan 8.290 nan 0.000 0.459 437 A N 1.997 124.813 122.820 -0.008 0.000 2.445 437 A HA 0.143 4.463 4.320 0.000 0.000 0.242 437 A C 0.999 178.598 177.584 0.025 0.000 1.075 437 A CA -0.422 51.618 52.037 0.005 0.000 0.777 437 A CB 0.127 19.118 19.000 -0.016 0.000 1.013 437 A HN 0.916 nan 8.150 nan 0.000 0.493 438 I N 0.982 121.582 120.570 0.049 0.000 2.194 438 I HA -0.233 3.937 4.170 0.000 0.000 0.246 438 I C 2.485 178.618 176.117 0.026 0.000 1.093 438 I CA 2.398 63.722 61.300 0.040 0.000 1.355 438 I CB -0.467 37.560 38.000 0.044 0.000 1.046 438 I HN 0.847 nan 8.210 nan 0.000 0.413 439 E N 0.481 120.690 120.200 0.015 0.000 2.110 439 E HA -0.259 4.091 4.350 0.000 0.000 0.193 439 E C 1.746 178.347 176.600 0.003 0.000 0.988 439 E CA 1.692 58.094 56.400 0.003 0.000 0.804 439 E CB -0.765 28.927 29.700 -0.013 0.000 0.745 439 E HN 0.672 nan 8.360 nan 0.000 0.458 440 E N 0.865 121.064 120.200 -0.001 0.000 2.158 440 E HA -0.102 4.248 4.350 0.000 0.000 0.191 440 E C 2.301 178.926 176.600 0.041 0.000 0.982 440 E CA 0.667 57.067 56.400 0.001 0.000 0.823 440 E CB -0.078 29.608 29.700 -0.022 0.000 0.766 440 E HN 0.363 nan 8.360 nan 0.000 0.468 441 Q N 0.535 120.358 119.800 0.037 0.000 2.061 441 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 441 Q C 2.425 178.467 176.000 0.069 0.000 0.984 441 Q CA 1.533 57.365 55.803 0.048 0.000 0.846 441 Q CB -0.082 28.678 28.738 0.037 0.000 0.902 441 Q HN 0.171 nan 8.270 nan 0.000 0.421 442 V N 0.986 120.940 119.914 0.067 0.000 2.343 442 V HA -0.300 3.821 4.120 0.000 0.000 0.247 442 V C 2.250 178.429 176.094 0.143 0.000 1.051 442 V CA 1.794 64.148 62.300 0.091 0.000 1.036 442 V CB -1.080 30.780 31.823 0.062 0.000 0.654 442 V HN 0.398 nan 8.190 nan 0.000 0.451 443 A N 0.491 123.389 122.820 0.130 0.000 1.845 443 A HA -0.186 4.134 4.320 0.000 0.000 0.215 443 A C 2.492 180.263 177.584 0.311 0.000 1.195 443 A CA 2.329 54.499 52.037 0.221 0.000 0.616 443 A CB -0.980 18.163 19.000 0.238 0.000 0.832 443 A HN 0.604 nan 8.150 nan 0.000 0.443 444 V N -0.437 119.635 119.914 0.264 0.000 2.407 444 V HA -0.184 3.936 4.120 0.000 0.000 0.248 444 V C 2.053 178.211 176.094 0.107 0.000 1.055 444 V CA 2.179 64.585 62.300 0.177 0.000 1.049 444 V CB -0.697 31.220 31.823 0.156 0.000 0.662 444 V HN 0.420 nan 8.190 nan 0.000 0.455 445 I N -0.270 120.365 120.570 0.108 0.000 2.394 445 I HA -0.133 4.037 4.170 0.000 0.000 0.251 445 I C 2.424 178.583 176.117 0.071 0.000 1.136 445 I CA 1.880 63.219 61.300 0.065 0.000 1.425 445 I CB -1.725 36.306 38.000 0.052 0.000 1.079 445 I HN 0.567 nan 8.210 nan 0.000 0.425 446 Y N 2.388 122.694 120.300 0.010 0.000 2.070 446 Y HA -0.303 4.247 4.550 0.000 0.000 0.280 446 Y C 2.688 178.588 175.900 -0.000 0.000 1.148 446 Y CA 2.315 60.425 58.100 0.016 0.000 1.125 446 Y CB -0.461 38.037 38.460 0.063 0.000 0.975 446 Y HN 0.118 nan 8.280 nan 0.000 0.492 447 A N 0.398 123.341 122.820 0.206 0.000 1.915 447 A HA -0.275 4.045 4.320 0.000 0.000 0.220 447 A C 2.474 179.995 177.584 -0.104 0.000 1.198 447 A CA 2.350 54.432 52.037 0.075 0.000 0.647 447 A CB -1.894 17.044 19.000 -0.104 0.000 0.825 447 A HN 0.690 nan 8.150 nan 0.000 0.456 448 G N -0.989 107.747 108.800 -0.107 0.000 2.453 448 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 448 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 448 G C 1.519 176.296 174.900 -0.205 0.000 1.201 448 G CA 1.269 46.284 45.100 -0.142 0.000 0.784 448 G HN 0.380 nan 8.290 nan 0.000 0.545 449 V N 0.793 120.581 119.914 -0.209 0.000 2.515 449 V HA -0.046 4.074 4.120 0.000 0.000 0.250 449 V C 2.721 178.609 176.094 -0.343 0.000 1.058 449 V CA 1.292 63.453 62.300 -0.231 0.000 1.064 449 V CB -0.339 31.378 31.823 -0.177 0.000 0.675 449 V HN 0.190 nan 8.190 nan 0.000 0.461 450 R N -0.070 120.115 120.500 -0.524 0.000 2.313 450 R HA 0.165 4.505 4.340 0.000 0.000 0.199 450 R C 1.787 177.612 176.300 -0.793 0.000 0.958 450 R CA 0.738 56.403 56.100 -0.726 0.000 1.047 450 R CB -0.442 29.225 30.300 -1.056 0.000 0.955 450 R HN 0.595 nan 8.270 nan 0.000 0.481 451 G N 0.176 108.643 108.800 -0.555 0.000 2.199 451 G HA2 -0.324 3.636 3.960 0.000 0.000 0.254 451 G HA3 -0.324 3.636 3.960 0.000 0.000 0.254 451 G C 0.374 175.056 174.900 -0.363 0.000 0.982 451 G CA 0.180 45.029 45.100 -0.420 0.000 0.632 451 G HN 0.349 nan 8.290 nan 0.000 0.529 452 Y N 0.396 120.597 120.300 -0.166 0.000 2.688 452 Y HA 0.366 4.916 4.550 0.000 0.000 0.311 452 Y C 2.328 178.106 175.900 -0.203 0.000 1.185 452 Y CA 1.037 59.049 58.100 -0.147 0.000 1.336 452 Y CB -0.169 38.222 38.460 -0.115 0.000 1.015 452 Y HN 0.420 nan 8.280 nan 0.000 0.522 453 L N -1.817 119.328 121.223 -0.130 0.000 3.086 453 L HA 0.181 4.521 4.340 0.000 0.000 0.274 453 L C 0.995 177.774 176.870 -0.151 0.000 1.184 453 L CA -0.050 54.664 54.840 -0.209 0.000 1.002 453 L CB 0.244 42.122 42.059 -0.302 0.000 1.383 453 L HN -0.134 nan 8.230 nan 0.000 0.582 454 D N 1.683 122.005 120.400 -0.129 0.000 2.228 454 D HA -0.177 4.463 4.640 0.000 0.000 0.203 454 D C 1.523 177.775 176.300 -0.079 0.000 0.988 454 D CA 1.442 55.376 54.000 -0.109 0.000 0.864 454 D CB 0.087 40.821 40.800 -0.110 0.000 0.928 454 D HN 0.244 nan 8.370 nan 0.000 0.469 455 K N -0.521 119.840 120.400 -0.065 0.000 2.397 455 K HA 0.160 4.480 4.320 0.000 0.000 0.202 455 K C 0.053 176.631 176.600 -0.038 0.000 1.022 455 K CA -0.381 55.880 56.287 -0.042 0.000 1.141 455 K CB 0.624 33.109 32.500 -0.026 0.000 0.857 455 K HN 0.048 nan 8.250 nan 0.000 0.514 456 L N 0.788 121.977 121.223 -0.057 0.000 2.344 456 L HA 0.265 4.605 4.340 0.000 0.000 0.272 456 L C -0.314 176.545 176.870 -0.019 0.000 1.035 456 L CA -0.426 54.392 54.840 -0.035 0.000 0.807 456 L CB 1.396 43.409 42.059 -0.077 0.000 1.237 456 L HN -0.017 nan 8.230 nan 0.000 0.442 457 E N 4.412 124.619 120.200 0.012 0.000 2.290 457 E HA 0.154 4.504 4.350 0.000 0.000 0.277 457 E C -1.849 174.766 176.600 0.026 0.000 1.035 457 E CA -1.491 54.919 56.400 0.017 0.000 0.873 457 E CB 1.189 30.904 29.700 0.025 0.000 1.029 457 E HN 0.514 nan 8.360 nan 0.000 0.419 458 P HA -0.239 nan 4.420 nan 0.000 0.217 458 P C 1.043 178.366 177.300 0.039 0.000 1.151 458 P CA 1.615 64.723 63.100 0.014 0.000 0.849 458 P CB 0.120 31.824 31.700 0.007 0.000 0.787 459 S N -1.100 114.627 115.700 0.045 0.000 2.447 459 S HA -0.070 4.400 4.470 0.000 0.000 0.233 459 S C 1.650 176.304 174.600 0.091 0.000 1.006 459 S CA 0.855 59.089 58.200 0.057 0.000 0.957 459 S CB -0.707 62.520 63.200 0.045 0.000 0.773 459 S HN 0.181 nan 8.310 nan 0.000 0.507 460 K N 0.970 121.441 120.400 0.117 0.000 2.361 460 K HA 0.293 4.613 4.320 0.000 0.000 0.196 460 K C 1.876 178.634 176.600 0.263 0.000 1.039 460 K CA 0.196 56.610 56.287 0.212 0.000 1.001 460 K CB -0.271 32.377 32.500 0.245 0.000 0.795 460 K HN 0.436 nan 8.250 nan 0.000 0.495 461 I N 1.162 121.831 120.570 0.164 0.000 2.118 461 I HA -0.316 3.854 4.170 0.000 0.000 0.241 461 I C 2.151 178.378 176.117 0.182 0.000 1.070 461 I CA 1.521 62.911 61.300 0.150 0.000 1.327 461 I CB -0.828 37.208 38.000 0.060 0.000 1.034 461 I HN 0.132 nan 8.210 nan 0.000 0.405 462 T N 0.549 115.181 114.554 0.131 0.000 2.684 462 T HA -0.264 4.086 4.350 0.000 0.000 0.267 462 T C 1.964 176.743 174.700 0.133 0.000 1.036 462 T CA 1.829 63.993 62.100 0.107 0.000 1.148 462 T CB -0.236 68.676 68.868 0.073 0.000 0.863 462 T HN 0.318 nan 8.240 nan 0.000 0.436 463 K N -0.168 120.345 120.400 0.187 0.000 2.097 463 K HA -0.120 4.200 4.320 0.000 0.000 0.206 463 K C 2.090 178.838 176.600 0.246 0.000 1.049 463 K CA 1.220 57.654 56.287 0.245 0.000 0.933 463 K CB -0.319 32.374 32.500 0.322 0.000 0.717 463 K HN 0.346 nan 8.250 nan 0.000 0.442 464 F N 2.254 122.223 119.950 0.032 0.000 2.051 464 F HA -0.210 4.317 4.527 0.000 0.000 0.296 464 F C 2.287 177.990 175.800 -0.162 0.000 1.122 464 F CA 2.254 60.002 58.000 -0.420 0.000 1.201 464 F CB -0.608 38.139 39.000 -0.421 0.000 0.978 464 F HN 0.194 nan 8.300 nan 0.000 0.472 465 E N 0.225 120.398 120.200 -0.044 0.000 2.136 465 E HA -0.317 4.033 4.350 0.000 0.000 0.202 465 E C 2.011 178.532 176.600 -0.131 0.000 1.019 465 E CA 1.842 58.193 56.400 -0.082 0.000 0.819 465 E CB -0.339 29.401 29.700 0.066 0.000 0.739 465 E HN 0.487 nan 8.360 nan 0.000 0.458 466 N N 0.307 118.968 118.700 -0.066 0.000 2.084 466 N HA -0.181 4.560 4.740 0.000 0.000 0.190 466 N C 1.794 177.259 175.510 -0.074 0.000 1.030 466 N CA 1.404 54.432 53.050 -0.035 0.000 0.849 466 N CB -0.528 37.976 38.487 0.028 0.000 1.012 466 N HN 0.302 nan 8.380 nan 0.000 0.423 467 A N 1.279 124.052 122.820 -0.077 0.000 1.851 467 A HA -0.187 4.133 4.320 0.000 0.000 0.216 467 A C 2.167 179.606 177.584 -0.241 0.000 1.195 467 A CA 1.394 53.447 52.037 0.026 0.000 0.622 467 A CB -1.236 17.880 19.000 0.194 0.000 0.831 467 A HN 0.306 nan 8.150 nan 0.000 0.444 468 F N 0.044 119.474 119.950 -0.867 0.000 2.091 468 F HA -0.190 4.337 4.527 0.000 0.000 0.299 468 F C 1.915 177.371 175.800 -0.574 0.000 1.103 468 F CA 1.943 59.250 58.000 -1.154 0.000 1.228 468 F CB -0.499 37.757 39.000 -1.241 0.000 0.984 468 F HN 0.190 nan 8.300 nan 0.000 0.477 469 L N 0.619 121.616 121.223 -0.376 0.000 1.955 469 L HA -0.266 4.074 4.340 0.000 0.000 0.213 469 L C 2.856 179.546 176.870 -0.300 0.000 1.072 469 L CA 2.515 57.169 54.840 -0.309 0.000 0.755 469 L CB -1.203 40.786 42.059 -0.116 0.000 0.888 469 L HN 0.375 nan 8.230 nan 0.000 0.432 470 S N -2.188 113.400 115.700 -0.187 0.000 2.400 470 S HA -0.303 4.167 4.470 0.000 0.000 0.232 470 S C 1.958 176.489 174.600 -0.116 0.000 1.025 470 S CA 1.237 59.368 58.200 -0.115 0.000 0.993 470 S CB -0.971 62.206 63.200 -0.038 0.000 0.808 470 S HN 0.700 nan 8.310 nan 0.000 0.478 471 H N 2.799 121.672 119.070 -0.329 0.000 2.253 471 H HA -0.047 4.509 4.556 0.000 0.000 0.299 471 H C 2.309 177.468 175.328 -0.283 0.000 1.064 471 H CA 2.587 58.452 56.048 -0.304 0.000 1.264 471 H CB -0.894 28.537 29.762 -0.551 0.000 1.371 471 H HN 0.266 nan 8.280 nan 0.000 0.493 472 V N -0.514 119.024 119.914 -0.627 0.000 2.568 472 V HA -0.179 3.941 4.120 0.000 0.000 0.253 472 V C 2.384 178.297 176.094 -0.301 0.000 1.072 472 V CA 2.106 64.097 62.300 -0.514 0.000 1.084 472 V CB -0.992 30.441 31.823 -0.650 0.000 0.676 472 V HN 0.474 nan 8.190 nan 0.000 0.469 473 I N 1.176 121.591 120.570 -0.259 0.000 2.439 473 I HA -0.134 4.036 4.170 0.000 0.000 0.251 473 I C 2.799 178.831 176.117 -0.142 0.000 1.139 473 I CA 1.684 62.882 61.300 -0.170 0.000 1.438 473 I CB -0.236 37.683 38.000 -0.136 0.000 1.085 473 I HN 0.546 nan 8.210 nan 0.000 0.427 474 S N 0.055 115.668 115.700 -0.145 0.000 2.355 474 S HA -0.096 4.374 4.470 0.000 0.000 0.216 474 S C 1.913 176.419 174.600 -0.156 0.000 1.037 474 S CA 0.686 58.817 58.200 -0.114 0.000 0.955 474 S CB -0.126 63.033 63.200 -0.067 0.000 0.877 474 S HN 0.368 nan 8.310 nan 0.000 0.488 475 Q N -0.051 119.613 119.800 -0.227 0.000 1.961 475 Q HA 0.041 4.381 4.340 0.000 0.000 0.197 475 Q C 0.963 176.665 176.000 -0.496 0.000 0.977 475 Q CA 1.340 56.918 55.803 -0.374 0.000 0.830 475 Q CB -0.264 28.194 28.738 -0.467 0.000 0.896 475 Q HN 0.725 nan 8.270 nan 0.000 0.437 476 H N 1.503 120.390 119.070 -0.306 0.000 2.933 476 H HA -0.018 4.538 4.556 0.000 0.000 0.306 476 H C 1.399 176.611 175.328 -0.193 0.000 1.142 476 H CA 0.168 56.069 56.048 -0.244 0.000 1.193 476 H CB -0.422 29.161 29.762 -0.299 0.000 1.330 476 H HN 0.351 nan 8.280 nan 0.000 0.585 477 Q N -0.217 119.509 119.800 -0.124 0.000 2.242 477 Q HA -0.289 4.051 4.340 0.000 0.000 0.211 477 Q C 2.140 178.099 176.000 -0.069 0.000 0.992 477 Q CA 1.713 57.459 55.803 -0.096 0.000 0.889 477 Q CB -0.217 28.464 28.738 -0.094 0.000 0.913 477 Q HN 0.540 nan 8.270 nan 0.000 0.422 478 A N 1.599 124.381 122.820 -0.063 0.000 1.872 478 A HA -0.049 4.271 4.320 0.000 0.000 0.214 478 A C 2.121 179.686 177.584 -0.032 0.000 1.187 478 A CA 1.023 53.034 52.037 -0.043 0.000 0.614 478 A CB -0.647 18.328 19.000 -0.041 0.000 0.826 478 A HN 0.447 nan 8.150 nan 0.000 0.442 479 L N -0.240 120.971 121.223 -0.020 0.000 2.017 479 L HA -0.178 4.162 4.340 0.000 0.000 0.208 479 L C 2.496 179.333 176.870 -0.055 0.000 1.073 479 L CA 1.643 56.460 54.840 -0.037 0.000 0.745 479 L CB -0.432 41.597 42.059 -0.051 0.000 0.894 479 L HN 0.441 nan 8.230 nan 0.000 0.432 480 L N -0.611 120.574 121.223 -0.063 0.000 1.989 480 L HA -0.173 4.167 4.340 0.000 0.000 0.211 480 L C 2.689 179.532 176.870 -0.045 0.000 1.071 480 L CA 1.505 56.307 54.840 -0.063 0.000 0.749 480 L CB -1.442 40.572 42.059 -0.077 0.000 0.890 480 L HN 0.354 nan 8.230 nan 0.000 0.431 481 G N -0.101 108.673 108.800 -0.043 0.000 2.469 481 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 481 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 481 G C 1.707 176.592 174.900 -0.026 0.000 1.150 481 G CA 1.125 46.206 45.100 -0.033 0.000 0.763 481 G HN 0.300 nan 8.290 nan 0.000 0.561 482 K N -0.058 120.325 120.400 -0.028 0.000 2.025 482 K HA 0.032 4.352 4.320 0.000 0.000 0.207 482 K C 2.568 179.155 176.600 -0.021 0.000 1.049 482 K CA 0.937 57.210 56.287 -0.023 0.000 0.933 482 K CB -0.254 32.232 32.500 -0.023 0.000 0.714 482 K HN 0.355 nan 8.250 nan 0.000 0.438 483 I N 0.966 121.519 120.570 -0.027 0.000 2.151 483 I HA -0.341 3.830 4.170 0.000 0.000 0.243 483 I C 2.741 178.849 176.117 -0.013 0.000 1.080 483 I CA 1.319 62.605 61.300 -0.022 0.000 1.339 483 I CB -0.296 37.685 38.000 -0.031 0.000 1.039 483 I HN 0.261 nan 8.210 nan 0.000 0.409 484 R N 0.587 121.079 120.500 -0.013 0.000 2.109 484 R HA -0.205 4.135 4.340 0.000 0.000 0.227 484 R C 2.321 178.618 176.300 -0.005 0.000 1.132 484 R CA 2.732 58.830 56.100 -0.004 0.000 0.907 484 R CB -0.702 29.596 30.300 -0.003 0.000 0.825 484 R HN 0.225 nan 8.270 nan 0.000 0.432 485 T N 1.090 115.640 114.554 -0.007 0.000 2.649 485 T HA -0.189 4.161 4.350 0.000 0.000 0.268 485 T C 1.278 175.973 174.700 -0.008 0.000 1.036 485 T CA 2.065 64.161 62.100 -0.007 0.000 1.157 485 T CB -0.529 68.334 68.868 -0.009 0.000 0.861 485 T HN 0.432 nan 8.240 nan 0.000 0.445 486 D N 0.185 120.579 120.400 -0.009 0.000 2.224 486 D HA 0.151 4.791 4.640 0.000 0.000 0.205 486 D C 1.844 178.140 176.300 -0.008 0.000 0.965 486 D CA 1.129 55.124 54.000 -0.008 0.000 0.852 486 D CB -0.698 40.098 40.800 -0.007 0.000 0.947 486 D HN 0.537 nan 8.370 nan 0.000 0.494 487 G N 0.470 109.265 108.800 -0.008 0.000 2.168 487 G HA2 -0.346 3.614 3.960 0.000 0.000 0.263 487 G HA3 -0.346 3.614 3.960 0.000 0.000 0.263 487 G C 0.478 175.377 174.900 -0.002 0.000 0.977 487 G CA 0.929 46.024 45.100 -0.007 0.000 0.659 487 G HN 0.499 nan 8.290 nan 0.000 0.533 488 K N -0.732 119.668 120.400 -0.001 0.000 2.439 488 K HA 0.760 5.080 4.320 0.000 0.000 0.260 488 K C -0.821 175.783 176.600 0.006 0.000 1.032 488 K CA -1.288 55.003 56.287 0.006 0.000 0.882 488 K CB 1.216 33.719 32.500 0.005 0.000 1.420 488 K HN 0.072 nan 8.250 nan 0.000 0.455 489 I N 2.910 123.490 120.570 0.016 0.000 2.388 489 I HA 0.135 4.305 4.170 0.000 0.000 0.281 489 I C 0.131 176.259 176.117 0.018 0.000 1.046 489 I CA -0.626 60.682 61.300 0.013 0.000 1.187 489 I CB 1.406 39.429 38.000 0.038 0.000 1.351 489 I HN 0.564 nan 8.210 nan 0.000 0.472 490 S N 3.010 118.713 115.700 0.007 0.000 2.589 490 S HA 0.148 4.618 4.470 0.000 0.000 0.265 490 S C 0.998 175.609 174.600 0.017 0.000 1.342 490 S CA -0.513 57.693 58.200 0.010 0.000 1.005 490 S CB 1.154 64.356 63.200 0.003 0.000 0.909 490 S HN 0.590 nan 8.310 nan 0.000 0.555 491 E N 0.701 120.913 120.200 0.021 0.000 2.171 491 E HA -0.169 4.181 4.350 0.000 0.000 0.197 491 E C 1.808 178.421 176.600 0.022 0.000 0.997 491 E CA 1.643 58.060 56.400 0.029 0.000 0.810 491 E CB -0.230 29.485 29.700 0.026 0.000 0.738 491 E HN 0.861 nan 8.360 nan 0.000 0.467 492 E N 0.281 120.487 120.200 0.011 0.000 2.001 492 E HA -0.192 4.158 4.350 0.000 0.000 0.195 492 E C 1.997 178.592 176.600 -0.008 0.000 1.002 492 E CA 1.549 57.951 56.400 0.004 0.000 0.819 492 E CB -0.055 29.645 29.700 -0.000 0.000 0.769 492 E HN 0.104 nan 8.360 nan 0.000 0.454 493 S N 0.902 116.590 115.700 -0.020 0.000 2.380 493 S HA -0.236 4.234 4.470 0.000 0.000 0.229 493 S C 1.565 176.121 174.600 -0.074 0.000 1.043 493 S CA 1.351 59.520 58.200 -0.051 0.000 1.038 493 S CB -0.524 62.643 63.200 -0.055 0.000 0.872 493 S HN 0.386 nan 8.310 nan 0.000 0.456 494 D N 1.392 121.778 120.400 -0.023 0.000 2.120 494 D HA -0.164 4.476 4.640 0.000 0.000 0.191 494 D C 2.193 178.509 176.300 0.027 0.000 0.994 494 D CA 1.656 55.669 54.000 0.023 0.000 0.838 494 D CB -0.437 40.427 40.800 0.106 0.000 0.976 494 D HN 0.310 nan 8.370 nan 0.000 0.447 495 A N 0.727 123.569 122.820 0.037 0.000 1.915 495 A HA -0.272 4.048 4.320 0.000 0.000 0.220 495 A C 2.181 179.765 177.584 -0.001 0.000 1.198 495 A CA 2.772 54.829 52.037 0.033 0.000 0.647 495 A CB -0.709 18.306 19.000 0.025 0.000 0.825 495 A HN 0.226 nan 8.150 nan 0.000 0.456 496 K N -0.415 119.968 120.400 -0.029 0.000 2.147 496 K HA 0.009 4.329 4.320 0.000 0.000 0.205 496 K C 1.763 178.299 176.600 -0.108 0.000 1.049 496 K CA 1.268 57.521 56.287 -0.056 0.000 0.936 496 K CB -0.517 31.952 32.500 -0.051 0.000 0.722 496 K HN 0.533 nan 8.250 nan 0.000 0.446 497 L N 0.078 121.211 121.223 -0.149 0.000 2.044 497 L HA -0.125 4.215 4.340 0.000 0.000 0.205 497 L C 2.395 179.223 176.870 -0.070 0.000 1.075 497 L CA 1.429 56.140 54.840 -0.215 0.000 0.747 497 L CB -0.400 41.281 42.059 -0.629 0.000 0.903 497 L HN 0.161 nan 8.230 nan 0.000 0.435 498 K N 0.343 120.751 120.400 0.013 0.000 2.074 498 K HA -0.287 4.033 4.320 0.000 0.000 0.209 498 K C 2.028 178.539 176.600 -0.149 0.000 1.048 498 K CA 1.962 58.218 56.287 -0.052 0.000 0.926 498 K CB -0.091 32.453 32.500 0.073 0.000 0.713 498 K HN 0.290 nan 8.250 nan 0.000 0.444 499 E N 0.418 120.582 120.200 -0.059 0.000 2.028 499 E HA -0.192 4.158 4.350 0.000 0.000 0.191 499 E C 2.065 178.664 176.600 -0.002 0.000 0.988 499 E CA 1.544 57.926 56.400 -0.030 0.000 0.799 499 E CB -0.130 29.568 29.700 -0.003 0.000 0.755 499 E HN 0.403 nan 8.360 nan 0.000 0.447 500 I N 1.156 121.720 120.570 -0.009 0.000 2.208 500 I HA -0.272 3.898 4.170 0.000 0.000 0.245 500 I C 2.693 178.940 176.117 0.216 0.000 1.097 500 I CA 1.406 62.745 61.300 0.065 0.000 1.363 500 I CB -0.364 37.563 38.000 -0.123 0.000 1.051 500 I HN 0.209 nan 8.210 nan 0.000 0.413 501 V N -0.827 119.181 119.914 0.158 0.000 2.323 501 V HA -0.220 3.900 4.120 0.000 0.000 0.244 501 V C 2.567 178.726 176.094 0.109 0.000 1.041 501 V CA 2.203 64.612 62.300 0.183 0.000 1.025 501 V CB -1.560 30.276 31.823 0.021 0.000 0.656 501 V HN 0.604 nan 8.190 nan 0.000 0.451 502 T N -0.923 113.573 114.554 -0.097 0.000 2.708 502 T HA -0.226 4.124 4.350 0.000 0.000 0.266 502 T C 1.880 176.614 174.700 0.056 0.000 1.037 502 T CA 2.024 64.079 62.100 -0.074 0.000 1.146 502 T CB -0.922 67.856 68.868 -0.150 0.000 0.865 502 T HN 0.556 nan 8.240 nan 0.000 0.435 503 N N 0.429 119.182 118.700 0.089 0.000 2.171 503 N HA 0.035 4.775 4.740 0.000 0.000 0.184 503 N C 1.560 177.168 175.510 0.163 0.000 1.021 503 N CA 1.020 54.135 53.050 0.108 0.000 0.854 503 N CB -0.509 38.039 38.487 0.102 0.000 0.994 503 N HN 0.470 nan 8.380 nan 0.000 0.426 504 F N 2.199 122.212 119.950 0.104 0.000 2.102 504 F HA -0.041 4.486 4.527 0.000 0.000 0.298 504 F C 2.307 178.246 175.800 0.231 0.000 1.105 504 F CA 0.831 58.902 58.000 0.119 0.000 1.239 504 F CB -0.313 38.774 39.000 0.145 0.000 0.991 504 F HN -0.064 nan 8.300 nan 0.000 0.474 505 L N -0.087 121.415 121.223 0.464 0.000 1.990 505 L HA -0.291 4.049 4.340 0.000 0.000 0.213 505 L C 2.711 179.708 176.870 0.212 0.000 1.072 505 L CA 1.685 56.738 54.840 0.354 0.000 0.755 505 L CB -1.073 41.064 42.059 0.130 0.000 0.889 505 L HN 0.329 nan 8.230 nan 0.000 0.432 506 A N -0.002 122.890 122.820 0.119 0.000 1.870 506 A HA -0.279 4.042 4.320 0.000 0.000 0.219 506 A C 2.295 179.895 177.584 0.026 0.000 1.224 506 A CA 2.316 54.389 52.037 0.059 0.000 0.650 506 A CB -1.625 17.399 19.000 0.039 0.000 0.836 506 A HN 0.544 nan 8.150 nan 0.000 0.454 507 G N -1.631 107.157 108.800 -0.020 0.000 2.491 507 G HA2 -0.299 3.662 3.960 0.000 0.000 0.218 507 G HA3 -0.299 3.662 3.960 0.000 0.000 0.218 507 G C 1.467 176.319 174.900 -0.081 0.000 1.180 507 G CA 1.266 46.311 45.100 -0.091 0.000 0.774 507 G HN 0.504 nan 8.290 nan 0.000 0.562 508 F N 1.625 121.426 119.950 -0.248 0.000 2.184 508 F HA -0.096 4.431 4.527 0.000 0.000 0.301 508 F C 2.127 177.903 175.800 -0.041 0.000 1.076 508 F CA 1.745 59.660 58.000 -0.142 0.000 1.295 508 F CB 0.128 39.135 39.000 0.012 0.000 1.026 508 F HN 0.240 nan 8.300 nan 0.000 0.494 509 E N 0.278 120.489 120.200 0.018 0.000 2.411 509 E HA 0.312 4.663 4.350 0.000 0.000 0.204 509 E C 0.439 176.998 176.600 -0.069 0.000 1.059 509 E CA -0.195 56.175 56.400 -0.050 0.000 1.112 509 E CB 0.032 29.753 29.700 0.036 0.000 1.168 509 E HN 0.326 nan 8.360 nan 0.000 0.445 510 A N 0.000 122.761 122.820 -0.098 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.992 52.037 -0.076 0.000 0.836 510 A CB 0.000 18.954 19.000 -0.076 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486