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 1wve_1_B DATA FIRST_RESID 7 DATA SEQUENCE AVLPKGVTQG EFNKAVQKFR ALLGDDNVLV ESDQLVPYNK IMMPVENAAH DATA SEQUENCE APSAAVTATT VEQVQGVVKI CNEHKIPIWT ISTGRNFGYG SAAPVQRGQV DATA SEQUENCE ILDLKKMNKI IKIDPEMCYA LVEPGVTFGQ MYDYIQENNL PVMLSFSAPS DATA SEQUENCE AIAGPVGNTM DRGVGYTPYG EHFMMQCGME VVLANGDVYR TGMGGVPGSN DATA SEQUENCE TWQIFKWGYG PTLDGMFTQA NYGICTKMGF WLMPKPPVFK PFEVIFEDEA DATA SEQUENCE DIVEIVDALR PLRMSNTIPN SVVIASTLWE AGSAHLTRAQ YTTEPGHTPD DATA SEQUENCE SVIKQMQKDT GMGAWNLYAA LYGTQEQVDV NWKIVTDVFK KLGKGRIVTQ DATA SEQUENCE EEAGDTQPFK YRAQLMSGVP NLQEFGLYNW RGGGGSMWFA PVSEARGSEC DATA SEQUENCE KKQAAMAKRV LHKYGLDYVA EFIVAPRDMH HVIDVLYDRT NPEETKRADA DATA SEQUENCE CFNELLDEFE KEGYAVYRVN TRFQDRVAQS YGPVKRKLEH AIKRAVDPNN DATA SEQUENCE ILAPGRSGID LNNDF 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.534 177.584 -0.083 0.000 1.274 7 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 7 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 8 V N 1.240 121.089 119.914 -0.108 0.000 2.394 8 V HA 0.638 6.880 4.120 3.537 0.000 0.282 8 V C 0.085 176.001 176.094 -0.296 0.000 1.031 8 V CA -0.256 61.953 62.300 -0.152 0.000 0.881 8 V CB 1.423 33.180 31.823 -0.109 0.000 0.982 8 V HN 0.523 nan 8.190 nan 0.000 0.451 9 L N 5.660 126.701 121.223 -0.303 0.000 2.333 9 L HA 0.603 7.066 4.340 3.537 0.000 0.263 9 L C -2.521 174.177 176.870 -0.287 0.000 1.014 9 L CA -2.069 52.491 54.840 -0.468 0.000 0.820 9 L CB 2.885 44.733 42.059 -0.351 0.000 1.352 9 L HN 0.411 nan 8.230 nan 0.000 0.421 10 P HA 0.033 nan 4.420 nan 0.000 0.272 10 P C -1.069 176.200 177.300 -0.052 0.000 1.223 10 P CA -0.457 62.597 63.100 -0.075 0.000 0.784 10 P CB 0.461 32.187 31.700 0.043 0.000 0.923 11 K N 1.836 122.219 120.400 -0.028 0.000 2.472 11 K HA 0.154 6.597 4.320 3.537 0.000 0.280 11 K C 1.063 177.665 176.600 0.003 0.000 1.028 11 K CA 0.952 57.227 56.287 -0.020 0.000 1.045 11 K CB -0.922 31.570 32.500 -0.013 0.000 0.902 11 K HN 0.766 nan 8.250 nan 0.000 0.478 12 G N 2.219 111.018 108.800 -0.002 0.000 2.168 12 G HA2 -0.240 5.843 3.960 3.537 0.000 0.263 12 G HA3 -0.240 5.843 3.960 3.537 0.000 0.263 12 G C -0.186 174.731 174.900 0.028 0.000 0.977 12 G CA 0.262 45.370 45.100 0.013 0.000 0.659 12 G HN 0.502 nan 8.290 nan 0.000 0.533 13 V N 1.995 121.925 119.914 0.027 0.000 2.417 13 V HA 0.640 6.882 4.120 3.537 0.000 0.291 13 V C 1.035 177.152 176.094 0.039 0.000 1.024 13 V CA -0.091 62.244 62.300 0.059 0.000 0.861 13 V CB 1.470 33.358 31.823 0.108 0.000 0.985 13 V HN 0.668 nan 8.190 nan 0.000 0.436 14 T N 1.594 116.181 114.554 0.056 0.000 2.860 14 T HA 0.151 6.624 4.350 3.537 0.000 0.299 14 T C 0.931 175.674 174.700 0.072 0.000 1.045 14 T CA -0.083 62.043 62.100 0.042 0.000 1.071 14 T CB 1.128 70.020 68.868 0.041 0.000 0.985 14 T HN 0.556 nan 8.240 nan 0.000 0.537 15 Q N 1.652 121.483 119.800 0.052 0.000 2.135 15 Q HA 0.009 6.472 4.340 3.537 0.000 0.204 15 Q C 2.294 178.362 176.000 0.114 0.000 0.981 15 Q CA 2.386 58.244 55.803 0.091 0.000 0.856 15 Q CB -1.150 27.619 28.738 0.050 0.000 0.902 15 Q HN 0.983 nan 8.270 nan 0.000 0.425 16 G N 0.063 108.900 108.800 0.062 0.000 2.421 16 G HA2 -0.239 5.843 3.960 3.537 0.000 0.216 16 G HA3 -0.239 5.843 3.960 3.537 0.000 0.216 16 G C 1.303 176.206 174.900 0.004 0.000 1.171 16 G CA 0.782 45.900 45.100 0.030 0.000 0.775 16 G HN 0.313 nan 8.290 nan 0.000 0.543 17 E N -0.001 120.221 120.200 0.036 0.000 2.106 17 E HA -0.053 6.420 4.350 3.537 0.000 0.192 17 E C 2.071 178.641 176.600 -0.049 0.000 0.984 17 E CA 0.307 56.709 56.400 0.003 0.000 0.806 17 E CB -0.380 29.387 29.700 0.112 0.000 0.750 17 E HN 0.437 nan 8.360 nan 0.000 0.458 18 F N 2.360 122.265 119.950 -0.076 0.000 2.134 18 F HA -0.147 6.502 4.527 3.537 0.000 0.299 18 F C 1.786 177.524 175.800 -0.104 0.000 1.097 18 F CA 1.439 59.404 58.000 -0.059 0.000 1.264 18 F CB -0.345 38.650 39.000 -0.008 0.000 1.001 18 F HN 0.011 nan 8.300 nan 0.000 0.479 19 N N -0.078 118.586 118.700 -0.061 0.000 2.120 19 N HA -0.195 6.667 4.740 3.537 0.000 0.188 19 N C 1.722 177.071 175.510 -0.268 0.000 1.024 19 N CA 1.292 54.253 53.050 -0.149 0.000 0.852 19 N CB -0.113 38.350 38.487 -0.041 0.000 1.003 19 N HN 0.311 nan 8.380 nan 0.000 0.424 20 K N 0.768 120.969 120.400 -0.332 0.000 2.057 20 K HA -0.044 6.398 4.320 3.537 0.000 0.206 20 K C 2.168 178.405 176.600 -0.606 0.000 1.050 20 K CA 1.093 57.108 56.287 -0.454 0.000 0.935 20 K CB -0.079 32.057 32.500 -0.605 0.000 0.715 20 K HN 0.146 nan 8.250 nan 0.000 0.439 21 A N 1.082 123.458 122.820 -0.741 0.000 1.898 21 A HA -0.112 6.331 4.320 3.537 0.000 0.216 21 A C 2.376 179.443 177.584 -0.861 0.000 1.181 21 A CA 1.302 52.862 52.037 -0.794 0.000 0.620 21 A CB -0.641 17.992 19.000 -0.610 0.000 0.819 21 A HN 0.064 nan 8.150 nan 0.000 0.442 22 V N 0.032 119.596 119.914 -0.583 0.000 2.343 22 V HA -0.273 5.969 4.120 3.537 0.000 0.247 22 V C 2.767 178.752 176.094 -0.182 0.000 1.051 22 V CA 2.362 64.486 62.300 -0.292 0.000 1.036 22 V CB -0.688 30.929 31.823 -0.343 0.000 0.654 22 V HN 0.714 nan 8.190 nan 0.000 0.451 23 Q N 0.669 120.336 119.800 -0.222 0.000 2.124 23 Q HA -0.189 6.273 4.340 3.537 0.000 0.202 23 Q C 2.118 178.044 176.000 -0.122 0.000 0.977 23 Q CA 1.814 57.536 55.803 -0.135 0.000 0.850 23 Q CB -0.327 28.334 28.738 -0.128 0.000 0.901 23 Q HN 0.578 nan 8.270 nan 0.000 0.429 24 K N -0.916 119.354 120.400 -0.216 0.000 2.097 24 K HA -0.083 6.360 4.320 3.537 0.000 0.205 24 K C 1.833 178.387 176.600 -0.076 0.000 1.050 24 K CA 1.117 57.302 56.287 -0.171 0.000 0.938 24 K CB -0.181 32.179 32.500 -0.234 0.000 0.718 24 K HN 0.175 nan 8.250 nan 0.000 0.442 25 F N 1.411 121.325 119.950 -0.060 0.000 2.171 25 F HA -0.099 6.550 4.527 3.537 0.000 0.300 25 F C 2.241 178.017 175.800 -0.040 0.000 1.090 25 F CA 1.103 59.074 58.000 -0.049 0.000 1.293 25 F CB -0.495 38.461 39.000 -0.073 0.000 1.013 25 F HN -0.063 nan 8.300 nan 0.000 0.486 26 R N -0.096 120.486 120.500 0.138 0.000 2.075 26 R HA -0.076 6.386 4.340 3.537 0.000 0.232 26 R C 2.441 178.769 176.300 0.047 0.000 1.126 26 R CA 1.205 57.347 56.100 0.069 0.000 0.963 26 R CB -0.756 29.562 30.300 0.031 0.000 0.858 26 R HN 0.252 nan 8.270 nan 0.000 0.435 27 A N 1.050 123.889 122.820 0.030 0.000 1.933 27 A HA -0.150 6.293 4.320 3.537 0.000 0.218 27 A C 2.053 179.657 177.584 0.034 0.000 1.175 27 A CA 1.091 53.140 52.037 0.020 0.000 0.628 27 A CB -0.359 18.643 19.000 0.002 0.000 0.814 27 A HN 0.251 nan 8.150 nan 0.000 0.444 28 L N -0.845 120.413 121.223 0.058 0.000 2.068 28 L HA 0.077 6.540 4.340 3.537 0.000 0.204 28 L C 1.980 178.886 176.870 0.059 0.000 1.076 28 L CA 1.754 56.634 54.840 0.066 0.000 0.753 28 L CB -0.232 41.891 42.059 0.107 0.000 0.910 28 L HN 0.344 nan 8.230 nan 0.000 0.439 29 L N -0.757 120.508 121.223 0.069 0.000 2.515 29 L HA 0.468 6.931 4.340 3.537 0.000 0.223 29 L C 0.743 177.633 176.870 0.033 0.000 1.079 29 L CA 0.157 55.024 54.840 0.044 0.000 0.857 29 L CB -0.399 41.680 42.059 0.034 0.000 1.050 29 L HN 0.386 nan 8.230 nan 0.000 0.476 30 G N 0.411 109.233 108.800 0.036 0.000 2.788 30 G HA2 -0.181 5.901 3.960 3.537 0.000 0.686 30 G HA3 -0.181 5.901 3.960 3.537 0.000 0.686 30 G C -0.353 174.564 174.900 0.028 0.000 1.147 30 G CA -0.405 44.712 45.100 0.027 0.000 0.755 30 G HN 0.026 nan 8.290 nan 0.000 0.634 31 D N 0.601 121.016 120.400 0.025 0.000 2.158 31 D HA -0.088 6.675 4.640 3.537 0.000 0.197 31 D C 1.883 178.198 176.300 0.025 0.000 0.995 31 D CA 1.621 55.636 54.000 0.025 0.000 0.846 31 D CB 0.020 40.833 40.800 0.020 0.000 0.941 31 D HN 0.527 nan 8.370 nan 0.000 0.456 32 D N 0.070 120.484 120.400 0.023 0.000 2.350 32 D HA -0.059 6.703 4.640 3.537 0.000 0.216 32 D C 0.945 177.260 176.300 0.025 0.000 0.968 32 D CA 0.487 54.502 54.000 0.024 0.000 0.894 32 D CB -0.147 40.666 40.800 0.022 0.000 0.909 32 D HN 0.231 nan 8.370 nan 0.000 0.520 33 N N -0.032 118.680 118.700 0.020 0.000 2.214 33 N HA 0.048 6.911 4.740 3.537 0.000 0.214 33 N C -0.607 174.898 175.510 -0.009 0.000 1.132 33 N CA 0.077 53.132 53.050 0.009 0.000 0.856 33 N CB 2.074 40.563 38.487 0.004 0.000 1.020 33 N HN -0.047 nan 8.380 nan 0.000 0.509 34 V N 2.383 122.300 119.914 0.004 0.000 2.409 34 V HA 0.394 6.636 4.120 3.537 0.000 0.290 34 V C -0.248 175.855 176.094 0.015 0.000 1.017 34 V CA -0.612 61.684 62.300 -0.007 0.000 0.841 34 V CB 2.075 33.917 31.823 0.031 0.000 1.003 34 V HN 0.005 nan 8.190 nan 0.000 0.426 35 L N 5.918 127.146 121.223 0.009 0.000 2.280 35 L HA 0.522 6.985 4.340 3.537 0.000 0.287 35 L C 0.678 177.581 176.870 0.056 0.000 1.023 35 L CA -0.458 54.408 54.840 0.044 0.000 0.819 35 L CB 1.545 43.648 42.059 0.074 0.000 1.212 35 L HN 0.627 nan 8.230 nan 0.000 0.420 36 V N -1.117 118.842 119.914 0.075 0.000 3.451 36 V HA 0.269 6.511 4.120 3.537 0.000 0.288 36 V C 0.588 176.740 176.094 0.097 0.000 1.502 36 V CA -0.275 62.090 62.300 0.109 0.000 1.026 36 V CB 0.073 31.972 31.823 0.127 0.000 0.840 36 V HN 0.684 nan 8.190 nan 0.000 0.437 37 E N 1.245 121.492 120.200 0.078 0.000 2.313 37 E HA 0.383 6.855 4.350 3.537 0.000 0.276 37 E C 0.777 177.418 176.600 0.069 0.000 1.031 37 E CA 0.237 56.677 56.400 0.067 0.000 0.857 37 E CB 1.684 31.417 29.700 0.056 0.000 1.040 37 E HN 0.224 nan 8.360 nan 0.000 0.408 38 S N 2.331 118.065 115.700 0.057 0.000 2.380 38 S HA -0.205 6.388 4.470 3.537 0.000 0.229 38 S C 1.101 175.737 174.600 0.060 0.000 1.043 38 S CA 1.435 59.667 58.200 0.054 0.000 1.038 38 S CB -0.129 63.093 63.200 0.038 0.000 0.872 38 S HN 0.519 nan 8.310 nan 0.000 0.456 39 D N 0.979 121.411 120.400 0.052 0.000 2.219 39 D HA -0.052 6.710 4.640 3.537 0.000 0.205 39 D C 2.045 178.384 176.300 0.065 0.000 0.970 39 D CA 0.791 54.820 54.000 0.049 0.000 0.851 39 D CB -0.250 40.572 40.800 0.036 0.000 0.943 39 D HN 0.540 nan 8.370 nan 0.000 0.488 40 Q N -0.387 119.465 119.800 0.085 0.000 2.311 40 Q HA 0.098 6.561 4.340 3.537 0.000 0.203 40 Q C 2.073 178.196 176.000 0.206 0.000 0.954 40 Q CA 0.433 56.307 55.803 0.119 0.000 0.885 40 Q CB 0.320 29.128 28.738 0.117 0.000 0.963 40 Q HN 0.303 nan 8.270 nan 0.000 0.471 41 L N -0.409 120.929 121.223 0.191 0.000 2.416 41 L HA -0.004 6.459 4.340 3.537 0.000 0.216 41 L C 2.247 179.264 176.870 0.245 0.000 1.098 41 L CA 0.001 55.006 54.840 0.274 0.000 0.840 41 L CB -0.220 41.926 42.059 0.146 0.000 0.981 41 L HN 0.086 nan 8.230 nan 0.000 0.462 42 V N 2.269 122.263 119.914 0.134 0.000 2.324 42 V HA -0.175 6.067 4.120 3.537 0.000 0.250 42 V C -0.084 176.053 176.094 0.072 0.000 1.060 42 V CA 2.173 64.526 62.300 0.088 0.000 1.042 42 V CB -0.989 30.863 31.823 0.048 0.000 0.650 42 V HN 0.294 nan 8.190 nan 0.000 0.450 43 P HA -0.152 nan 4.420 nan 0.000 0.220 43 P C 1.071 178.335 177.300 -0.061 0.000 1.148 43 P CA 1.636 64.698 63.100 -0.064 0.000 0.803 43 P CB -0.267 31.330 31.700 -0.172 0.000 0.782 44 Y N -0.098 120.234 120.300 0.053 0.000 2.457 44 Y HA 0.027 6.699 4.550 3.537 0.000 0.292 44 Y C 2.348 178.278 175.900 0.051 0.000 1.125 44 Y CA 0.946 59.083 58.100 0.062 0.000 1.254 44 Y CB -1.145 37.353 38.460 0.064 0.000 1.012 44 Y HN 0.005 nan 8.280 nan 0.000 0.555 45 N N 0.290 119.103 118.700 0.187 0.000 2.463 45 N HA -0.072 6.790 4.740 3.537 0.000 0.181 45 N C 0.358 175.911 175.510 0.072 0.000 1.078 45 N CA -0.100 53.017 53.050 0.112 0.000 0.902 45 N CB 0.135 38.675 38.487 0.088 0.000 0.970 45 N HN -0.114 nan 8.380 nan 0.000 0.451 46 K N 2.006 122.447 120.400 0.069 0.000 2.419 46 K HA 0.071 6.513 4.320 3.537 0.000 0.282 46 K C -0.601 176.027 176.600 0.047 0.000 1.056 46 K CA 0.256 56.571 56.287 0.046 0.000 1.035 46 K CB -0.200 32.331 32.500 0.052 0.000 0.921 46 K HN 0.229 nan 8.250 nan 0.000 0.472 47 I N 0.772 121.345 120.570 0.004 0.000 2.934 47 I HA 0.373 6.665 4.170 3.537 0.000 0.306 47 I C 0.056 176.131 176.117 -0.070 0.000 1.110 47 I CA -1.000 60.284 61.300 -0.026 0.000 1.019 47 I CB 2.377 40.334 38.000 -0.072 0.000 1.227 47 I HN 0.464 nan 8.210 nan 0.000 0.434 48 M N 3.067 122.605 119.600 -0.104 0.000 2.356 48 M HA 0.377 6.979 4.480 3.537 0.000 0.262 48 M C -0.136 176.102 176.300 -0.103 0.000 1.097 48 M CA 0.115 55.301 55.300 -0.190 0.000 0.991 48 M CB 0.295 32.703 32.600 -0.319 0.000 1.450 48 M HN 0.564 nan 8.290 nan 0.000 0.495 49 M N 2.689 122.253 119.600 -0.059 0.000 2.250 49 M HA 0.214 6.817 4.480 3.537 0.000 0.344 49 M C -1.791 174.563 176.300 0.090 0.000 1.150 49 M CA -1.508 53.785 55.300 -0.012 0.000 1.147 49 M CB 0.231 32.775 32.600 -0.094 0.000 1.498 49 M HN -0.228 nan 8.290 nan 0.000 0.461 50 P HA 0.139 nan 4.420 nan 0.000 0.231 50 P C -0.905 176.402 177.300 0.011 0.000 1.756 50 P CA 0.303 63.420 63.100 0.029 0.000 0.990 50 P CB -0.100 31.457 31.700 -0.239 0.000 1.973 51 V N 1.176 121.113 119.914 0.038 0.000 3.147 51 V HA 0.238 6.481 4.120 3.537 0.000 0.299 51 V C -0.812 175.306 176.094 0.040 0.000 1.302 51 V CA -0.956 61.361 62.300 0.028 0.000 1.015 51 V CB 2.752 34.599 31.823 0.040 0.000 1.086 51 V HN 0.244 nan 8.190 nan 0.000 0.437 52 E N 3.660 123.873 120.200 0.023 0.000 2.404 52 E HA 0.072 6.544 4.350 3.537 0.000 0.261 52 E C 0.216 176.836 176.600 0.034 0.000 1.074 52 E CA -0.166 56.245 56.400 0.019 0.000 0.917 52 E CB 0.375 30.075 29.700 0.001 0.000 0.965 52 E HN 0.642 nan 8.360 nan 0.000 0.433 53 N N 1.651 120.367 118.700 0.028 0.000 2.137 53 N HA -0.188 6.674 4.740 3.537 0.000 0.190 53 N C 1.609 177.136 175.510 0.029 0.000 1.017 53 N CA 2.194 55.267 53.050 0.038 0.000 0.859 53 N CB -0.679 37.823 38.487 0.025 0.000 1.002 53 N HN 0.706 nan 8.380 nan 0.000 0.428 54 A N 0.685 123.504 122.820 -0.001 0.000 1.986 54 A HA -0.054 6.389 4.320 3.537 0.000 0.220 54 A C 2.252 179.792 177.584 -0.073 0.000 1.171 54 A CA 1.896 53.915 52.037 -0.031 0.000 0.640 54 A CB -0.836 18.142 19.000 -0.036 0.000 0.811 54 A HN 0.329 nan 8.150 nan 0.000 0.451 55 A N -2.045 120.721 122.820 -0.089 0.000 2.125 55 A HA -0.100 6.343 4.320 3.537 0.000 0.219 55 A C 1.460 178.746 177.584 -0.497 0.000 1.156 55 A CA 1.282 53.175 52.037 -0.240 0.000 0.671 55 A CB -0.479 18.396 19.000 -0.207 0.000 0.794 55 A HN 0.674 nan 8.150 nan 0.000 0.459 56 H N -1.500 117.514 119.070 -0.092 0.000 2.665 56 H HA 0.410 7.088 4.556 3.537 0.000 0.248 56 H C 0.217 175.486 175.328 -0.098 0.000 1.175 56 H CA 0.097 56.071 56.048 -0.123 0.000 0.952 56 H CB -0.044 29.636 29.762 -0.137 0.000 1.883 56 H HN 0.439 nan 8.280 nan 0.000 0.623 57 A N 3.409 126.215 122.820 -0.022 0.000 2.450 57 A HA 0.310 6.752 4.320 3.537 0.000 0.255 57 A C -2.120 175.445 177.584 -0.032 0.000 1.096 57 A CA -1.030 51.000 52.037 -0.010 0.000 0.778 57 A CB 0.305 19.294 19.000 -0.019 0.000 1.031 57 A HN 0.068 nan 8.150 nan 0.000 0.494 58 P HA 0.164 nan 4.420 nan 0.000 0.281 58 P C 0.553 177.843 177.300 -0.017 0.000 1.249 58 P CA -0.224 62.862 63.100 -0.023 0.000 0.810 58 P CB 1.554 33.231 31.700 -0.039 0.000 1.008 59 S N 0.969 116.664 115.700 -0.009 0.000 2.478 59 S HA 0.402 6.995 4.470 3.537 0.000 0.222 59 S C 0.763 175.459 174.600 0.159 0.000 1.008 59 S CA 0.464 58.649 58.200 -0.025 0.000 0.928 59 S CB -0.312 62.763 63.200 -0.207 0.000 0.781 59 S HN 0.833 nan 8.310 nan 0.000 0.518 60 A N -0.134 122.768 122.820 0.136 0.000 2.515 60 A HA 0.808 7.251 4.320 3.537 0.000 0.292 60 A C -1.577 175.965 177.584 -0.069 0.000 1.065 60 A CA -0.469 51.631 52.037 0.104 0.000 0.641 60 A CB 0.314 19.459 19.000 0.241 0.000 1.306 60 A HN 1.308 nan 8.150 nan 0.000 0.441 61 A N -0.471 122.262 122.820 -0.145 0.000 2.486 61 A HA 0.827 7.269 4.320 3.537 0.000 0.300 61 A C -0.711 176.746 177.584 -0.212 0.000 1.048 61 A CA 0.034 51.897 52.037 -0.289 0.000 0.696 61 A CB 1.322 19.946 19.000 -0.628 0.000 1.278 61 A HN 2.329 nan 8.150 nan 0.000 0.405 62 V N -0.351 119.417 119.914 -0.244 0.000 2.656 62 V HA 0.927 7.169 4.120 3.537 0.000 0.307 62 V C -0.215 175.798 176.094 -0.136 0.000 1.051 62 V CA -0.161 62.002 62.300 -0.227 0.000 0.893 62 V CB 1.377 32.936 31.823 -0.440 0.000 0.999 62 V HN 1.295 nan 8.190 nan 0.000 0.426 63 T N 1.512 116.025 114.554 -0.068 0.000 2.770 63 T HA 0.883 7.356 4.350 3.537 0.000 0.283 63 T C -0.102 174.580 174.700 -0.030 0.000 0.988 63 T CA 0.035 62.121 62.100 -0.024 0.000 0.957 63 T CB 1.260 70.141 68.868 0.022 0.000 0.930 63 T HN 1.720 nan 8.240 nan 0.000 0.443 64 A N 2.511 125.313 122.820 -0.030 0.000 2.337 64 A HA 0.794 7.237 4.320 3.537 0.000 0.331 64 A C 1.043 178.620 177.584 -0.011 0.000 1.137 64 A CA -0.562 51.463 52.037 -0.021 0.000 0.807 64 A CB 1.338 20.321 19.000 -0.029 0.000 1.250 64 A HN 1.100 nan 8.150 nan 0.000 0.468 65 T N -2.647 111.904 114.554 -0.004 0.000 3.004 65 T HA 0.320 6.792 4.350 3.537 0.000 0.266 65 T C 0.502 175.202 174.700 -0.001 0.000 0.986 65 T CA 0.781 62.880 62.100 -0.002 0.000 0.902 65 T CB -0.473 68.396 68.868 0.003 0.000 1.118 65 T HN 1.238 nan 8.240 nan 0.000 0.522 66 T N -1.379 113.176 114.554 0.001 0.000 2.906 66 T HA 0.625 7.098 4.350 3.537 0.000 0.295 66 T C 1.073 175.776 174.700 0.004 0.000 1.075 66 T CA -0.503 61.599 62.100 0.004 0.000 1.005 66 T CB 1.802 70.675 68.868 0.008 0.000 1.136 66 T HN -0.196 nan 8.240 nan 0.000 0.498 67 V N 1.294 121.213 119.914 0.007 0.000 2.343 67 V HA -0.116 6.126 4.120 3.537 0.000 0.247 67 V C 2.631 178.731 176.094 0.011 0.000 1.051 67 V CA 2.096 64.401 62.300 0.008 0.000 1.036 67 V CB -1.025 30.805 31.823 0.011 0.000 0.654 67 V HN 0.928 nan 8.190 nan 0.000 0.451 68 E N 0.014 120.222 120.200 0.012 0.000 2.118 68 E HA -0.245 6.228 4.350 3.537 0.000 0.195 68 E C 2.278 178.891 176.600 0.022 0.000 0.992 68 E CA 1.343 57.753 56.400 0.016 0.000 0.804 68 E CB -0.301 29.408 29.700 0.015 0.000 0.741 68 E HN 0.663 nan 8.360 nan 0.000 0.458 69 Q N -0.192 119.620 119.800 0.019 0.000 2.119 69 Q HA -0.085 6.377 4.340 3.537 0.000 0.201 69 Q C 2.234 178.250 176.000 0.027 0.000 0.972 69 Q CA 1.218 57.036 55.803 0.025 0.000 0.847 69 Q CB 0.016 28.764 28.738 0.015 0.000 0.903 69 Q HN 0.173 nan 8.270 nan 0.000 0.433 70 V N 1.174 121.096 119.914 0.013 0.000 2.343 70 V HA -0.289 5.953 4.120 3.537 0.000 0.247 70 V C 2.101 178.212 176.094 0.029 0.000 1.051 70 V CA 1.839 64.145 62.300 0.010 0.000 1.036 70 V CB -0.508 31.312 31.823 -0.005 0.000 0.654 70 V HN 0.381 nan 8.190 nan 0.000 0.451 71 Q N -0.044 119.773 119.800 0.029 0.000 2.124 71 Q HA -0.134 6.328 4.340 3.537 0.000 0.202 71 Q C 2.388 178.418 176.000 0.050 0.000 0.977 71 Q CA 1.647 57.471 55.803 0.035 0.000 0.850 71 Q CB -0.524 28.231 28.738 0.028 0.000 0.901 71 Q HN 0.723 nan 8.270 nan 0.000 0.429 72 G N 0.044 108.878 108.800 0.056 0.000 2.408 72 G HA2 -0.199 5.883 3.960 3.537 0.000 0.217 72 G HA3 -0.199 5.883 3.960 3.537 0.000 0.217 72 G C 1.490 176.464 174.900 0.123 0.000 1.150 72 G CA 0.685 45.829 45.100 0.074 0.000 0.776 72 G HN 0.196 nan 8.290 nan 0.000 0.542 73 V N 1.226 121.224 119.914 0.141 0.000 2.295 73 V HA -0.201 6.042 4.120 3.537 0.000 0.246 73 V C 3.213 179.436 176.094 0.215 0.000 1.049 73 V CA 1.890 64.329 62.300 0.232 0.000 1.024 73 V CB -0.352 31.526 31.823 0.091 0.000 0.648 73 V HN 0.411 nan 8.190 nan 0.000 0.447 74 V N -0.949 119.037 119.914 0.121 0.000 2.515 74 V HA -0.232 6.011 4.120 3.537 0.000 0.250 74 V C 2.312 178.459 176.094 0.087 0.000 1.058 74 V CA 2.337 64.697 62.300 0.101 0.000 1.064 74 V CB -0.879 30.984 31.823 0.067 0.000 0.675 74 V HN 0.561 nan 8.190 nan 0.000 0.461 75 K N 0.575 121.018 120.400 0.072 0.000 2.026 75 K HA -0.108 6.334 4.320 3.537 0.000 0.208 75 K C 2.118 178.734 176.600 0.027 0.000 1.048 75 K CA 2.340 58.651 56.287 0.039 0.000 0.929 75 K CB -0.374 32.144 32.500 0.030 0.000 0.713 75 K HN 0.562 nan 8.250 nan 0.000 0.439 76 I N 0.847 121.450 120.570 0.055 0.000 2.226 76 I HA -0.350 5.942 4.170 3.537 0.000 0.245 76 I C 2.459 178.602 176.117 0.043 0.000 1.100 76 I CA 0.881 62.185 61.300 0.007 0.000 1.374 76 I CB -0.279 37.656 38.000 -0.108 0.000 1.057 76 I HN 0.353 nan 8.210 nan 0.000 0.413 77 C N 0.591 119.974 119.300 0.138 0.000 2.425 77 C HA -0.134 6.449 4.460 3.537 0.000 0.277 77 C C 2.637 177.675 174.990 0.081 0.000 1.280 77 C CA 0.819 59.934 59.018 0.160 0.000 1.744 77 C CB -1.373 26.481 27.740 0.191 0.000 1.989 77 C HN 0.541 nan 8.230 nan 0.000 0.491 78 N N 0.560 119.284 118.700 0.040 0.000 2.188 78 N HA -0.120 6.743 4.740 3.537 0.000 0.184 78 N C 1.735 177.205 175.510 -0.066 0.000 1.018 78 N CA 1.127 54.180 53.050 0.004 0.000 0.858 78 N CB -0.404 38.085 38.487 0.004 0.000 0.989 78 N HN 0.586 nan 8.380 nan 0.000 0.426 79 E N 0.454 120.567 120.200 -0.146 0.000 2.110 79 E HA -0.121 6.352 4.350 3.537 0.000 0.193 79 E C 0.690 176.941 176.600 -0.582 0.000 0.988 79 E CA 1.311 57.490 56.400 -0.368 0.000 0.804 79 E CB 0.029 29.448 29.700 -0.468 0.000 0.745 79 E HN 0.431 nan 8.360 nan 0.000 0.458 80 H N -0.118 118.941 119.070 -0.018 0.000 2.581 80 H HA 0.219 6.897 4.556 3.537 0.000 0.275 80 H C -0.199 175.151 175.328 0.036 0.000 1.126 80 H CA 0.148 56.193 56.048 -0.004 0.000 1.097 80 H CB 0.692 30.429 29.762 -0.041 0.000 1.626 80 H HN -0.025 nan 8.280 nan 0.000 0.565 81 K N 0.928 121.377 120.400 0.081 0.000 3.148 81 K HA -0.142 6.300 4.320 3.537 0.000 0.267 81 K C -0.233 176.448 176.600 0.136 0.000 0.996 81 K CA 0.307 56.650 56.287 0.093 0.000 0.737 81 K CB -1.916 30.629 32.500 0.075 0.000 1.308 81 K HN 0.333 nan 8.250 nan 0.000 0.470 82 I N 2.361 123.033 120.570 0.170 0.000 2.312 82 I HA 0.172 6.465 4.170 3.537 0.000 0.291 82 I C -1.526 174.706 176.117 0.191 0.000 1.031 82 I CA -2.491 58.941 61.300 0.220 0.000 1.293 82 I CB 0.693 38.873 38.000 0.299 0.000 1.403 82 I HN -0.054 nan 8.210 nan 0.000 0.484 83 P HA 0.388 nan 4.420 nan 0.000 0.285 83 P C -0.756 176.642 177.300 0.163 0.000 1.259 83 P CA -0.290 62.899 63.100 0.148 0.000 0.794 83 P CB 1.323 33.098 31.700 0.125 0.000 0.940 84 I N -0.123 120.536 120.570 0.150 0.000 2.530 84 I HA 0.546 6.838 4.170 3.537 0.000 0.297 84 I C -0.692 175.531 176.117 0.176 0.000 1.011 84 I CA -1.088 60.294 61.300 0.137 0.000 1.107 84 I CB 2.670 40.712 38.000 0.071 0.000 1.285 84 I HN 0.392 nan 8.210 nan 0.000 0.436 85 W N 6.351 127.645 121.300 -0.011 0.000 2.294 85 W HA 0.459 7.243 4.660 3.540 0.000 0.314 85 W C -1.231 175.272 176.519 -0.026 0.000 1.044 85 W CA -0.417 56.920 57.345 -0.012 0.000 1.284 85 W CB 1.956 31.413 29.460 -0.004 0.000 1.231 85 W HN 0.570 nan 8.180 nan 0.000 0.419 86 T N 7.416 121.644 114.554 -0.543 0.000 2.806 86 T HA 0.439 6.912 4.350 3.537 0.000 0.290 86 T C 0.145 174.530 174.700 -0.524 0.000 0.966 86 T CA -0.207 61.644 62.100 -0.415 0.000 1.060 86 T CB 1.086 69.773 68.868 -0.301 0.000 0.927 86 T HN 0.429 nan 8.240 nan 0.000 0.485 87 I N -0.966 119.463 120.570 -0.235 0.000 2.934 87 I HA 0.711 7.003 4.170 3.537 0.000 0.306 87 I C 0.173 176.242 176.117 -0.079 0.000 1.110 87 I CA -0.882 60.341 61.300 -0.129 0.000 1.019 87 I CB 2.311 40.347 38.000 0.059 0.000 1.227 87 I HN 0.417 nan 8.210 nan 0.000 0.434 88 S N 1.358 117.015 115.700 -0.072 0.000 2.826 88 S HA 0.058 6.650 4.470 3.537 0.000 0.193 88 S C 1.428 176.004 174.600 -0.040 0.000 0.838 88 S CA 0.924 59.084 58.200 -0.067 0.000 0.844 88 S CB -0.043 63.100 63.200 -0.096 0.000 0.816 88 S HN 0.890 nan 8.310 nan 0.000 0.626 89 T N -0.676 113.847 114.554 -0.051 0.000 3.044 89 T HA 0.372 6.845 4.350 3.537 0.000 0.250 89 T C 1.453 176.138 174.700 -0.025 0.000 1.081 89 T CA 0.676 62.753 62.100 -0.039 0.000 1.040 89 T CB 0.002 68.834 68.868 -0.059 0.000 0.962 89 T HN 0.698 nan 8.240 nan 0.000 0.506 90 G N 2.816 111.605 108.800 -0.019 0.000 2.233 90 G HA2 -0.297 5.786 3.960 3.537 0.000 0.270 90 G HA3 -0.297 5.786 3.960 3.537 0.000 0.270 90 G C 0.640 175.467 174.900 -0.121 0.000 1.011 90 G CA 0.048 45.148 45.100 0.000 0.000 0.762 90 G HN 0.487 nan 8.290 nan 0.000 0.511 91 R N 0.087 120.441 120.500 -0.244 0.000 2.978 91 R HA 0.159 6.621 4.340 3.537 0.000 0.298 91 R C 0.602 176.394 176.300 -0.847 0.000 1.296 91 R CA -0.626 55.036 56.100 -0.729 0.000 1.181 91 R CB -0.446 29.622 30.300 -0.386 0.000 1.348 91 R HN 0.251 nan 8.270 nan 0.000 0.585 92 N N 1.490 119.968 118.700 -0.369 0.000 3.115 92 N HA -0.000 6.862 4.740 3.537 0.000 0.305 92 N C -0.842 174.739 175.510 0.119 0.000 1.305 92 N CA -0.133 52.902 53.050 -0.024 0.000 1.154 92 N CB -0.372 38.190 38.487 0.127 0.000 1.454 92 N HN -0.020 nan 8.380 nan 0.000 0.551 93 F N -0.017 120.123 119.950 0.317 0.000 2.602 93 F HA 0.216 6.866 4.527 3.539 0.000 0.385 93 F C 1.959 177.901 175.800 0.237 0.000 1.063 93 F CA 0.214 58.353 58.000 0.230 0.000 1.233 93 F CB -0.107 39.066 39.000 0.289 0.000 1.067 93 F HN 0.287 nan 8.300 nan 0.000 0.564 94 G N 2.158 111.027 108.800 0.114 0.000 2.199 94 G HA2 -0.348 5.735 3.960 3.537 0.000 0.254 94 G HA3 -0.348 5.735 3.960 3.537 0.000 0.254 94 G C 0.256 175.032 174.900 -0.208 0.000 0.982 94 G CA 0.096 45.025 45.100 -0.284 0.000 0.632 94 G HN 0.626 nan 8.290 nan 0.000 0.529 95 Y N -0.201 120.246 120.300 0.246 0.000 2.675 95 Y HA 0.471 7.144 4.550 3.539 0.000 0.248 95 Y C 1.847 177.794 175.900 0.077 0.000 1.161 95 Y CA 0.045 58.251 58.100 0.177 0.000 1.203 95 Y CB 1.129 39.709 38.460 0.200 0.000 1.262 95 Y HN 0.997 nan 8.280 nan 0.000 0.544 96 G N -1.284 107.593 108.800 0.129 0.000 2.229 96 G HA2 -0.250 5.832 3.960 3.537 0.000 0.189 96 G HA3 -0.250 5.832 3.960 3.537 0.000 0.189 96 G C 0.674 175.600 174.900 0.043 0.000 1.000 96 G CA 0.075 45.173 45.100 -0.002 0.000 0.663 96 G HN 0.222 nan 8.290 nan 0.000 0.493 97 S N -0.876 114.898 115.700 0.122 0.000 4.054 97 S HA -0.265 6.327 4.470 3.537 0.000 0.618 97 S C 1.972 176.649 174.600 0.129 0.000 2.026 97 S CA 2.465 60.724 58.200 0.099 0.000 4.205 97 S CB -1.432 61.872 63.200 0.174 0.000 0.233 97 S HN 2.199 nan 8.310 nan 0.000 0.612 98 A N 0.981 123.894 122.820 0.156 0.000 2.348 98 A HA 0.686 7.128 4.320 3.537 0.000 0.224 98 A C 0.691 178.441 177.584 0.276 0.000 1.227 98 A CA 0.972 53.164 52.037 0.257 0.000 0.885 98 A CB -0.297 18.863 19.000 0.265 0.000 0.933 98 A HN 1.404 nan 8.150 nan 0.000 0.506 99 A N 1.620 124.505 122.820 0.108 0.000 2.371 99 A HA 0.591 7.033 4.320 3.537 0.000 0.257 99 A C -2.323 175.008 177.584 -0.422 0.000 1.089 99 A CA -1.483 50.533 52.037 -0.036 0.000 0.794 99 A CB -0.020 18.961 19.000 -0.032 0.000 1.029 99 A HN 0.259 nan 8.150 nan 0.000 0.488 100 P HA 0.019 nan 4.420 nan 0.000 0.272 100 P C 0.917 177.691 177.300 -0.877 0.000 1.230 100 P CA -0.164 62.246 63.100 -1.150 0.000 0.788 100 P CB 1.057 32.522 31.700 -0.391 0.000 0.949 101 V N 1.180 120.376 119.914 -1.196 0.000 2.626 101 V HA -0.130 6.112 4.120 3.537 0.000 0.252 101 V C 0.925 176.901 176.094 -0.197 0.000 1.067 101 V CA 1.855 63.844 62.300 -0.519 0.000 1.081 101 V CB -0.515 31.087 31.823 -0.369 0.000 0.686 101 V HN 0.527 nan 8.190 nan 0.000 0.468 102 Q N 0.484 120.158 119.800 -0.210 0.000 2.353 102 Q HA 0.391 6.853 4.340 3.537 0.000 0.268 102 Q C -0.452 175.441 176.000 -0.178 0.000 1.045 102 Q CA -0.720 54.978 55.803 -0.175 0.000 0.811 102 Q CB 2.191 30.878 28.738 -0.084 0.000 1.305 102 Q HN 0.390 nan 8.270 nan 0.000 0.447 103 R N 0.454 120.822 120.500 -0.220 0.000 2.585 103 R HA 0.114 6.577 4.340 3.537 0.000 0.275 103 R C 0.654 176.887 176.300 -0.113 0.000 1.018 103 R CA 1.808 57.805 56.100 -0.172 0.000 1.072 103 R CB -0.132 30.060 30.300 -0.180 0.000 0.953 103 R HN 0.961 nan 8.270 nan 0.000 0.419 104 G N 2.183 110.927 108.800 -0.094 0.000 2.195 104 G HA2 -0.280 5.802 3.960 3.537 0.000 0.246 104 G HA3 -0.280 5.802 3.960 3.537 0.000 0.246 104 G C -0.066 174.813 174.900 -0.035 0.000 0.984 104 G CA 0.181 45.229 45.100 -0.088 0.000 0.633 104 G HN 0.644 nan 8.290 nan 0.000 0.525 105 Q N -0.026 119.771 119.800 -0.005 0.000 2.394 105 Q HA 0.508 6.971 4.340 3.537 0.000 0.248 105 Q C 0.278 176.330 176.000 0.087 0.000 0.992 105 Q CA -0.217 55.625 55.803 0.066 0.000 0.888 105 Q CB 1.795 30.591 28.738 0.098 0.000 1.257 105 Q HN 0.177 nan 8.270 nan 0.000 0.462 106 V N 3.036 123.030 119.914 0.134 0.000 2.465 106 V HA 0.211 6.453 4.120 3.537 0.000 0.279 106 V C 0.133 176.255 176.094 0.048 0.000 1.045 106 V CA -0.272 62.086 62.300 0.097 0.000 0.938 106 V CB 0.904 32.800 31.823 0.123 0.000 0.986 106 V HN 0.571 nan 8.190 nan 0.000 0.467 107 I N 5.564 126.109 120.570 -0.043 0.000 2.371 107 I HA 0.201 6.493 4.170 3.537 0.000 0.290 107 I C -0.230 175.817 176.117 -0.117 0.000 1.028 107 I CA -0.376 60.901 61.300 -0.039 0.000 1.345 107 I CB 1.229 39.115 38.000 -0.190 0.000 1.407 107 I HN 0.410 nan 8.210 nan 0.000 0.501 108 L N 7.398 128.579 121.223 -0.071 0.000 2.270 108 L HA 0.334 6.796 4.340 3.537 0.000 0.286 108 L C -0.397 176.430 176.870 -0.072 0.000 1.059 108 L CA 0.016 54.791 54.840 -0.108 0.000 0.839 108 L CB 0.396 42.396 42.059 -0.099 0.000 1.221 108 L HN 0.420 nan 8.230 nan 0.000 0.431 109 D N 4.610 124.979 120.400 -0.051 0.000 2.380 109 D HA 0.180 6.942 4.640 3.537 0.000 0.230 109 D C 0.412 176.720 176.300 0.013 0.000 1.154 109 D CA -0.029 53.992 54.000 0.035 0.000 0.859 109 D CB 0.757 41.646 40.800 0.148 0.000 1.045 109 D HN 0.640 nan 8.370 nan 0.000 0.495 110 L N 3.661 124.881 121.223 -0.005 0.000 2.685 110 L HA 0.147 6.609 4.340 3.537 0.000 0.233 110 L C 1.934 178.798 176.870 -0.011 0.000 1.173 110 L CA -0.232 54.597 54.840 -0.019 0.000 0.961 110 L CB -0.016 42.016 42.059 -0.044 0.000 1.217 110 L HN 0.227 nan 8.230 nan 0.000 0.478 111 K N 1.426 121.832 120.400 0.012 0.000 2.152 111 K HA -0.157 6.285 4.320 3.537 0.000 0.206 111 K C 1.763 178.362 176.600 -0.001 0.000 1.048 111 K CA 1.576 57.865 56.287 0.004 0.000 0.933 111 K CB 0.079 32.591 32.500 0.021 0.000 0.721 111 K HN 0.184 nan 8.250 nan 0.000 0.447 112 K N -0.510 119.894 120.400 0.006 0.000 2.418 112 K HA 0.034 6.476 4.320 3.537 0.000 0.195 112 K C 0.506 177.104 176.600 -0.003 0.000 1.035 112 K CA 0.250 56.540 56.287 0.004 0.000 1.003 112 K CB 0.055 32.561 32.500 0.011 0.000 0.793 112 K HN 0.186 nan 8.250 nan 0.000 0.494 113 M N 2.997 122.591 119.600 -0.010 0.000 3.422 113 M HA 0.020 6.623 4.480 3.537 0.000 0.248 113 M C -0.238 176.049 176.300 -0.021 0.000 1.433 113 M CA 0.150 55.441 55.300 -0.014 0.000 1.592 113 M CB -0.491 32.098 32.600 -0.019 0.000 1.078 113 M HN 0.113 nan 8.290 nan 0.000 0.578 114 N N 1.256 119.946 118.700 -0.018 0.000 2.538 114 N HA 0.179 7.041 4.740 3.537 0.000 0.291 114 N C -1.035 174.458 175.510 -0.028 0.000 1.323 114 N CA -0.711 52.324 53.050 -0.025 0.000 0.934 114 N CB 0.568 39.043 38.487 -0.019 0.000 1.255 114 N HN 0.334 nan 8.380 nan 0.000 0.509 115 K N 1.028 121.410 120.400 -0.029 0.000 2.205 115 K HA 0.315 6.758 4.320 3.537 0.000 0.279 115 K C -0.227 176.334 176.600 -0.066 0.000 1.027 115 K CA -0.453 55.811 56.287 -0.038 0.000 0.932 115 K CB 2.005 34.490 32.500 -0.024 0.000 1.032 115 K HN 0.221 nan 8.250 nan 0.000 0.466 116 I N 4.843 125.347 120.570 -0.110 0.000 2.291 116 I HA 0.028 6.320 4.170 3.537 0.000 0.292 116 I C 1.264 177.287 176.117 -0.157 0.000 1.064 116 I CA -0.068 61.126 61.300 -0.177 0.000 1.269 116 I CB 0.540 38.331 38.000 -0.350 0.000 1.418 116 I HN 0.626 nan 8.210 nan 0.000 0.485 117 I N 5.086 125.597 120.570 -0.098 0.000 2.286 117 I HA -0.081 6.212 4.170 3.537 0.000 0.245 117 I C 1.027 177.112 176.117 -0.054 0.000 1.104 117 I CA 1.166 62.436 61.300 -0.050 0.000 1.397 117 I CB -0.066 37.932 38.000 -0.002 0.000 1.072 117 I HN 0.526 nan 8.210 nan 0.000 0.417 118 K N 0.693 121.047 120.400 -0.077 0.000 2.572 118 K HA 0.509 6.951 4.320 3.537 0.000 0.263 118 K C -1.820 174.710 176.600 -0.117 0.000 0.932 118 K CA -0.533 55.716 56.287 -0.063 0.000 0.838 118 K CB 2.117 34.646 32.500 0.049 0.000 1.366 118 K HN -0.060 nan 8.250 nan 0.000 0.425 119 I N 3.076 123.557 120.570 -0.148 0.000 2.503 119 I HA 0.157 6.449 4.170 3.537 0.000 0.282 119 I C -1.173 174.807 176.117 -0.229 0.000 1.059 119 I CA -0.755 60.437 61.300 -0.180 0.000 1.081 119 I CB 1.781 39.723 38.000 -0.097 0.000 1.210 119 I HN 0.571 nan 8.210 nan 0.000 0.450 120 D N 9.364 129.468 120.400 -0.494 0.000 2.347 120 D HA 0.229 6.992 4.640 3.537 0.000 0.235 120 D C -1.680 174.416 176.300 -0.340 0.000 1.149 120 D CA -1.907 51.781 54.000 -0.520 0.000 0.850 120 D CB 2.034 42.203 40.800 -1.053 0.000 1.061 120 D HN 0.250 nan 8.370 nan 0.000 0.487 121 P HA 0.010 nan 4.420 nan 0.000 0.241 121 P C 0.506 177.741 177.300 -0.109 0.000 1.191 121 P CA 0.622 63.649 63.100 -0.122 0.000 0.771 121 P CB 0.801 32.453 31.700 -0.079 0.000 0.929 122 E N -0.705 119.422 120.200 -0.122 0.000 2.110 122 E HA 0.108 6.581 4.350 3.537 0.000 0.193 122 E C 1.781 178.335 176.600 -0.077 0.000 0.950 122 E CA 0.586 56.936 56.400 -0.083 0.000 0.840 122 E CB -0.207 29.455 29.700 -0.064 0.000 0.809 122 E HN 0.021 nan 8.360 nan 0.000 0.465 123 M N 0.107 119.648 119.600 -0.099 0.000 2.595 123 M HA 0.074 6.677 4.480 3.537 0.000 0.248 123 M C 0.245 176.540 176.300 -0.009 0.000 1.119 123 M CA 0.114 55.404 55.300 -0.017 0.000 1.079 123 M CB -0.741 31.929 32.600 0.117 0.000 1.472 123 M HN 0.139 nan 8.290 nan 0.000 0.501 124 C N 2.688 121.922 119.300 -0.109 0.000 3.165 124 C HA -0.199 6.383 4.460 3.537 0.000 0.279 124 C C -0.336 174.703 174.990 0.082 0.000 1.188 124 C CA 0.299 59.280 59.018 -0.062 0.000 2.448 124 C CB -3.266 24.455 27.740 -0.032 0.000 1.516 124 C HN 0.649 nan 8.230 nan 0.000 0.491 125 Y N -1.862 118.429 120.300 -0.015 0.000 2.670 125 Y HA 0.871 7.552 4.550 3.551 0.000 0.334 125 Y C -0.522 175.255 175.900 -0.205 0.000 1.185 125 Y CA -1.208 56.869 58.100 -0.038 0.000 1.053 125 Y CB 0.741 39.259 38.460 0.096 0.000 1.298 125 Y HN 0.828 nan 8.280 nan 0.000 0.459 126 A N 1.601 124.359 122.820 -0.104 0.000 2.454 126 A HA 0.832 7.275 4.320 3.537 0.000 0.302 126 A C -2.381 175.028 177.584 -0.292 0.000 1.079 126 A CA -0.757 51.092 52.037 -0.314 0.000 0.731 126 A CB 1.879 20.453 19.000 -0.711 0.000 1.299 126 A HN 1.144 nan 8.150 nan 0.000 0.413 127 L N 2.111 123.235 121.223 -0.164 0.000 2.441 127 L HA 0.750 7.213 4.340 3.537 0.000 0.270 127 L C -0.705 176.102 176.870 -0.105 0.000 0.973 127 L CA -0.413 54.337 54.840 -0.150 0.000 0.842 127 L CB 1.686 43.700 42.059 -0.076 0.000 1.239 127 L HN 1.214 nan 8.230 nan 0.000 0.406 128 V N 0.982 120.857 119.914 -0.065 0.000 3.160 128 V HA 0.715 6.958 4.120 3.537 0.000 0.310 128 V C -0.346 175.726 176.094 -0.037 0.000 1.181 128 V CA -0.792 61.487 62.300 -0.036 0.000 1.047 128 V CB 1.973 33.808 31.823 0.021 0.000 1.068 128 V HN 0.769 nan 8.190 nan 0.000 0.441 129 E N 1.533 121.709 120.200 -0.040 0.000 2.280 129 E HA 0.379 6.851 4.350 3.537 0.000 0.261 129 E C -2.041 174.525 176.600 -0.058 0.000 1.088 129 E CA -1.768 54.607 56.400 -0.041 0.000 0.915 129 E CB 1.654 31.335 29.700 -0.032 0.000 1.141 129 E HN 0.568 nan 8.360 nan 0.000 0.433 130 P HA -0.144 nan 4.420 nan 0.000 0.216 130 P C 1.082 178.333 177.300 -0.083 0.000 1.150 130 P CA 1.263 64.316 63.100 -0.080 0.000 0.837 130 P CB 0.078 31.734 31.700 -0.074 0.000 0.786 131 G N -0.804 107.960 108.800 -0.061 0.000 2.848 131 G HA2 -0.021 6.062 3.960 3.537 0.000 0.208 131 G HA3 -0.021 6.062 3.960 3.537 0.000 0.208 131 G C 0.361 175.222 174.900 -0.064 0.000 1.152 131 G CA -0.042 45.027 45.100 -0.053 0.000 0.789 131 G HN 0.167 nan 8.290 nan 0.000 0.531 132 V N 1.998 121.863 119.914 -0.081 0.000 2.585 132 V HA 0.309 6.551 4.120 3.537 0.000 0.296 132 V C 0.989 176.993 176.094 -0.150 0.000 1.035 132 V CA 0.214 62.461 62.300 -0.089 0.000 1.084 132 V CB 0.719 32.494 31.823 -0.081 0.000 0.953 132 V HN 0.397 nan 8.190 nan 0.000 0.483 133 T N 1.408 115.897 114.554 -0.109 0.000 2.952 133 T HA 0.495 6.967 4.350 3.537 0.000 0.286 133 T C 0.681 175.326 174.700 -0.093 0.000 1.024 133 T CA -0.493 61.527 62.100 -0.133 0.000 1.029 133 T CB 1.001 69.853 68.868 -0.026 0.000 1.094 133 T HN 0.253 nan 8.240 nan 0.000 0.515 134 F N 0.667 120.641 119.950 0.040 0.000 2.293 134 F HA 0.133 6.781 4.527 3.535 0.000 0.300 134 F C 2.715 178.575 175.800 0.099 0.000 1.086 134 F CA 1.002 59.059 58.000 0.095 0.000 1.375 134 F CB -0.498 38.515 39.000 0.022 0.000 1.045 134 F HN 0.830 nan 8.300 nan 0.000 0.516 135 G N -0.669 108.245 108.800 0.190 0.000 2.418 135 G HA2 -0.289 5.794 3.960 3.537 0.000 0.217 135 G HA3 -0.289 5.794 3.960 3.537 0.000 0.217 135 G C 1.476 176.500 174.900 0.206 0.000 1.158 135 G CA 0.697 45.891 45.100 0.157 0.000 0.771 135 G HN 0.361 nan 8.290 nan 0.000 0.545 136 Q N -0.466 119.422 119.800 0.147 0.000 2.050 136 Q HA -0.071 6.392 4.340 3.537 0.000 0.202 136 Q C 2.568 178.681 176.000 0.187 0.000 0.980 136 Q CA 1.317 57.200 55.803 0.134 0.000 0.840 136 Q CB -0.196 28.584 28.738 0.069 0.000 0.898 136 Q HN 0.499 nan 8.270 nan 0.000 0.424 137 M N -0.806 118.919 119.600 0.208 0.000 2.132 137 M HA -0.172 6.431 4.480 3.537 0.000 0.263 137 M C 2.017 178.507 176.300 0.316 0.000 1.065 137 M CA 1.320 56.766 55.300 0.245 0.000 1.122 137 M CB -0.374 32.392 32.600 0.277 0.000 1.365 137 M HN 0.299 nan 8.290 nan 0.000 0.411 138 Y N 1.690 122.131 120.300 0.235 0.000 2.145 138 Y HA -0.289 6.383 4.550 3.536 0.000 0.286 138 Y C 1.945 177.937 175.900 0.154 0.000 1.145 138 Y CA 1.897 60.122 58.100 0.208 0.000 1.148 138 Y CB -0.345 38.241 38.460 0.210 0.000 0.981 138 Y HN 0.230 nan 8.280 nan 0.000 0.507 139 D N -1.036 119.484 120.400 0.199 0.000 2.123 139 D HA -0.245 6.517 4.640 3.537 0.000 0.196 139 D C 1.951 178.268 176.300 0.030 0.000 0.992 139 D CA 1.692 55.740 54.000 0.079 0.000 0.833 139 D CB -0.783 40.095 40.800 0.130 0.000 0.954 139 D HN 0.503 nan 8.370 nan 0.000 0.455 140 Y N 1.022 121.320 120.300 -0.004 0.000 2.181 140 Y HA -0.128 6.545 4.550 3.538 0.000 0.288 140 Y C 2.206 178.073 175.900 -0.056 0.000 1.146 140 Y CA 1.211 59.300 58.100 -0.019 0.000 1.164 140 Y CB -0.271 38.192 38.460 0.004 0.000 0.982 140 Y HN -0.091 nan 8.280 nan 0.000 0.515 141 I N -0.138 120.489 120.570 0.094 0.000 2.315 141 I HA -0.310 5.982 4.170 3.537 0.000 0.248 141 I C 2.264 178.280 176.117 -0.169 0.000 1.117 141 I CA 1.072 62.361 61.300 -0.018 0.000 1.404 141 I CB -0.341 37.663 38.000 0.006 0.000 1.071 141 I HN 0.293 nan 8.210 nan 0.000 0.419 142 Q N 0.531 120.177 119.800 -0.257 0.000 2.049 142 Q HA -0.181 6.281 4.340 3.537 0.000 0.198 142 Q C 2.068 177.956 176.000 -0.186 0.000 0.971 142 Q CA 1.427 57.076 55.803 -0.257 0.000 0.833 142 Q CB -0.353 28.179 28.738 -0.344 0.000 0.896 142 Q HN 0.560 nan 8.270 nan 0.000 0.434 143 E N 0.692 120.778 120.200 -0.189 0.000 2.118 143 E HA -0.121 6.351 4.350 3.537 0.000 0.195 143 E C 1.284 177.756 176.600 -0.213 0.000 0.992 143 E CA 0.761 57.053 56.400 -0.180 0.000 0.804 143 E CB 0.031 29.618 29.700 -0.188 0.000 0.741 143 E HN 0.314 nan 8.360 nan 0.000 0.458 144 N N 0.789 119.316 118.700 -0.288 0.000 2.280 144 N HA -0.037 6.826 4.740 3.537 0.000 0.192 144 N C -0.100 175.312 175.510 -0.164 0.000 1.109 144 N CA 0.090 52.981 53.050 -0.264 0.000 0.855 144 N CB 0.364 38.606 38.487 -0.408 0.000 0.974 144 N HN 0.071 nan 8.380 nan 0.000 0.482 145 N N 0.960 119.575 118.700 -0.143 0.000 2.716 145 N HA -0.181 6.682 4.740 3.537 0.000 0.250 145 N C -1.028 174.431 175.510 -0.085 0.000 1.033 145 N CA 0.317 53.305 53.050 -0.102 0.000 0.727 145 N CB -1.473 36.966 38.487 -0.080 0.000 0.950 145 N HN 0.301 nan 8.380 nan 0.000 0.541 146 L N 0.468 121.639 121.223 -0.086 0.000 2.367 146 L HA 0.292 6.754 4.340 3.537 0.000 0.275 146 L C -1.078 175.760 176.870 -0.053 0.000 1.129 146 L CA -1.467 53.337 54.840 -0.059 0.000 0.839 146 L CB 0.607 42.647 42.059 -0.031 0.000 1.133 146 L HN 0.121 nan 8.230 nan 0.000 0.453 147 P HA 0.057 nan 4.420 nan 0.000 0.237 147 P C -0.567 176.703 177.300 -0.049 0.000 1.723 147 P CA 0.161 63.234 63.100 -0.043 0.000 0.882 147 P CB -0.208 31.470 31.700 -0.037 0.000 1.810 148 V N -2.088 117.796 119.914 -0.050 0.000 3.102 148 V HA 0.804 7.047 4.120 3.537 0.000 0.312 148 V C -0.290 175.774 176.094 -0.051 0.000 1.135 148 V CA -1.385 60.876 62.300 -0.064 0.000 1.022 148 V CB 2.389 34.175 31.823 -0.061 0.000 1.056 148 V HN 0.116 nan 8.190 nan 0.000 0.436 149 M N 1.606 121.156 119.600 -0.083 0.000 2.658 149 M HA 0.790 7.393 4.480 3.537 0.000 0.295 149 M C -1.608 174.650 176.300 -0.070 0.000 1.248 149 M CA -0.738 54.526 55.300 -0.061 0.000 0.843 149 M CB 2.251 34.787 32.600 -0.107 0.000 1.749 149 M HN 0.594 nan 8.290 nan 0.000 0.464 150 L N 0.617 121.814 121.223 -0.044 0.000 2.376 150 L HA 0.770 7.232 4.340 3.537 0.000 0.267 150 L C 0.038 176.678 176.870 -0.384 0.000 1.035 150 L CA -0.725 54.078 54.840 -0.063 0.000 0.800 150 L CB 1.806 43.959 42.059 0.157 0.000 1.290 150 L HN 0.892 nan 8.230 nan 0.000 0.462 151 S N 0.302 115.759 115.700 -0.406 0.000 2.538 151 S HA 0.847 7.440 4.470 3.537 0.000 0.288 151 S C -1.125 173.078 174.600 -0.661 0.000 1.108 151 S CA -0.494 57.417 58.200 -0.483 0.000 0.971 151 S CB 0.842 64.019 63.200 -0.039 0.000 1.041 151 S HN 0.460 nan 8.310 nan 0.000 0.483 152 F N 0.615 120.391 119.950 -0.290 0.000 2.719 152 F HA 0.610 7.259 4.527 3.537 0.000 0.309 152 F C -0.051 175.694 175.800 -0.092 0.000 1.138 152 F CA -1.267 56.411 58.000 -0.535 0.000 0.943 152 F CB 0.561 38.663 39.000 -1.496 0.000 1.304 152 F HN 0.495 nan 8.300 nan 0.000 0.445 153 S N 0.806 116.692 115.700 0.310 0.000 2.580 153 S HA 0.430 7.023 4.470 3.537 0.000 0.266 153 S C 1.139 175.979 174.600 0.399 0.000 1.354 153 S CA -0.251 58.135 58.200 0.311 0.000 1.008 153 S CB 1.221 64.580 63.200 0.264 0.000 0.898 153 S HN 1.261 nan 8.310 nan 0.000 0.555 154 A N 1.189 124.268 122.820 0.432 0.000 1.948 154 A HA 0.006 6.448 4.320 3.537 0.000 0.220 154 A C -0.411 177.375 177.584 0.336 0.000 1.177 154 A CA 1.510 53.769 52.037 0.371 0.000 0.636 154 A CB -2.173 17.018 19.000 0.318 0.000 0.815 154 A HN 0.742 nan 8.150 nan 0.000 0.449 155 P HA -0.138 nan 4.420 nan 0.000 0.231 155 P C 1.480 178.890 177.300 0.183 0.000 1.158 155 P CA 1.277 64.686 63.100 0.515 0.000 0.763 155 P CB -0.224 31.832 31.700 0.594 0.000 0.805 156 S N 0.892 116.590 115.700 -0.004 0.000 1.978 156 S HA -0.430 6.162 4.470 3.537 0.000 0.533 156 S C 2.008 176.452 174.600 -0.260 0.000 0.920 156 S CA 2.185 60.076 58.200 -0.516 0.000 3.354 156 S CB -1.910 60.601 63.200 -1.147 0.000 2.336 156 S HN 0.257 nan 8.310 nan 0.000 0.579 157 A N 2.457 125.099 122.820 -0.296 0.000 1.940 157 A HA -0.109 6.334 4.320 3.537 0.000 0.221 157 A C 2.501 180.084 177.584 -0.001 0.000 1.190 157 A CA 2.794 54.758 52.037 -0.121 0.000 0.647 157 A CB -1.228 17.700 19.000 -0.119 0.000 0.821 157 A HN 1.427 nan 8.150 nan 0.000 0.457 158 I N -4.225 116.360 120.570 0.025 0.000 3.783 158 I HA 0.471 6.763 4.170 3.537 0.000 0.310 158 I C 1.187 177.354 176.117 0.083 0.000 1.274 158 I CA 0.199 61.532 61.300 0.054 0.000 1.294 158 I CB -0.270 37.768 38.000 0.063 0.000 1.051 158 I HN 0.233 nan 8.210 nan 0.000 0.435 159 A N 1.397 124.308 122.820 0.153 0.000 2.249 159 A HA 0.794 7.236 4.320 3.537 0.000 0.281 159 A C 0.318 177.912 177.584 0.017 0.000 1.127 159 A CA 0.186 52.318 52.037 0.159 0.000 0.833 159 A CB 0.096 19.286 19.000 0.316 0.000 1.140 159 A HN 0.441 nan 8.150 nan 0.000 0.502 160 G N -2.246 106.449 108.800 -0.175 0.000 2.660 160 G HA2 0.569 6.652 3.960 3.537 0.000 0.294 160 G HA3 0.569 6.652 3.960 3.537 0.000 0.294 160 G C -2.264 172.178 174.900 -0.763 0.000 1.369 160 G CA -0.775 43.945 45.100 -0.633 0.000 0.912 160 G HN 0.358 nan 8.290 nan 0.000 0.479 161 P HA -0.060 nan 4.420 nan 0.000 0.217 161 P C 1.883 178.959 177.300 -0.373 0.000 1.151 161 P CA 0.620 63.321 63.100 -0.664 0.000 0.828 161 P CB 0.375 31.541 31.700 -0.891 0.000 0.788 162 V N 0.925 120.670 119.914 -0.281 0.000 2.270 162 V HA -0.145 6.097 4.120 3.537 0.000 0.245 162 V C 2.938 178.944 176.094 -0.145 0.000 1.043 162 V CA 2.566 64.759 62.300 -0.178 0.000 1.014 162 V CB -1.883 29.858 31.823 -0.136 0.000 0.645 162 V HN 0.159 nan 8.190 nan 0.000 0.447 163 G N 0.024 108.740 108.800 -0.139 0.000 2.459 163 G HA2 -0.352 5.730 3.960 3.537 0.000 0.217 163 G HA3 -0.352 5.730 3.960 3.537 0.000 0.217 163 G C 1.539 176.398 174.900 -0.069 0.000 1.183 163 G CA 1.037 46.075 45.100 -0.104 0.000 0.776 163 G HN 0.505 nan 8.290 nan 0.000 0.552 164 N N 0.295 118.979 118.700 -0.026 0.000 2.104 164 N HA -0.127 6.736 4.740 3.537 0.000 0.190 164 N C 2.085 177.618 175.510 0.039 0.000 1.024 164 N CA 1.905 54.991 53.050 0.060 0.000 0.853 164 N CB -0.297 38.318 38.487 0.213 0.000 1.008 164 N HN 0.240 nan 8.380 nan 0.000 0.424 165 T N 1.201 115.752 114.554 -0.005 0.000 2.904 165 T HA 0.008 6.480 4.350 3.537 0.000 0.267 165 T C 1.865 176.526 174.700 -0.065 0.000 1.059 165 T CA 0.594 62.697 62.100 0.006 0.000 1.137 165 T CB -0.003 68.846 68.868 -0.032 0.000 0.879 165 T HN 0.204 nan 8.240 nan 0.000 0.467 166 M N 1.250 120.789 119.600 -0.101 0.000 2.460 166 M HA 0.022 6.624 4.480 3.537 0.000 0.263 166 M C 1.218 177.413 176.300 -0.174 0.000 1.071 166 M CA 0.999 56.212 55.300 -0.144 0.000 1.096 166 M CB -0.769 31.745 32.600 -0.142 0.000 1.408 166 M HN 0.060 nan 8.290 nan 0.000 0.463 167 D N -0.017 120.294 120.400 -0.148 0.000 2.395 167 D HA 0.141 6.903 4.640 3.537 0.000 0.213 167 D C -0.045 176.154 176.300 -0.168 0.000 1.110 167 D CA 0.037 53.921 54.000 -0.193 0.000 0.835 167 D CB 0.274 40.949 40.800 -0.209 0.000 0.965 167 D HN 0.182 nan 8.370 nan 0.000 0.505 168 R N -0.488 119.953 120.500 -0.098 0.000 3.333 168 R HA -0.135 6.327 4.340 3.537 0.000 0.256 168 R C 0.717 177.096 176.300 0.131 0.000 1.010 168 R CA 0.473 56.582 56.100 0.016 0.000 0.680 168 R CB -2.098 28.201 30.300 -0.001 0.000 1.102 168 R HN 0.214 nan 8.270 nan 0.000 0.440 169 G N 0.037 108.888 108.800 0.084 0.000 2.653 169 G HA2 0.480 6.563 3.960 3.537 0.000 0.265 169 G HA3 0.480 6.563 3.960 3.537 0.000 0.265 169 G C 0.351 175.146 174.900 -0.175 0.000 1.237 169 G CA 0.034 45.170 45.100 0.060 0.000 0.946 169 G HN 0.297 nan 8.290 nan 0.000 0.522 170 V N -2.535 117.136 119.914 -0.404 0.000 3.040 170 V HA 1.009 7.252 4.120 3.537 0.000 0.312 170 V C 0.366 175.913 176.094 -0.911 0.000 1.115 170 V CA -0.117 61.663 62.300 -0.867 0.000 0.998 170 V CB 1.413 32.748 31.823 -0.813 0.000 1.042 170 V HN 1.267 nan 8.190 nan 0.000 0.433 171 G N -0.004 108.177 108.800 -1.032 0.000 3.211 171 G HA2 0.613 6.695 3.960 3.537 0.000 0.262 171 G HA3 0.613 6.695 3.960 3.537 0.000 0.262 171 G C -1.316 173.017 174.900 -0.946 0.000 1.352 171 G CA -0.502 44.191 45.100 -0.678 0.000 1.004 171 G HN 0.743 nan 8.290 nan 0.000 0.559 172 Y N -0.183 120.080 120.300 -0.062 0.000 2.641 172 Y HA 0.308 6.982 4.550 3.540 0.000 0.248 172 Y C 1.516 177.415 175.900 -0.002 0.000 1.170 172 Y CA -0.167 57.905 58.100 -0.046 0.000 1.201 172 Y CB 0.498 38.933 38.460 -0.042 0.000 1.232 172 Y HN 0.612 nan 8.280 nan 0.000 0.537 173 T N -3.964 110.618 114.554 0.047 0.000 2.889 173 T HA 0.343 6.816 4.350 3.537 0.000 0.278 173 T C -2.083 172.616 174.700 -0.001 0.000 0.995 173 T CA -2.353 59.767 62.100 0.033 0.000 0.966 173 T CB 1.702 70.523 68.868 -0.078 0.000 1.237 173 T HN -0.323 nan 8.240 nan 0.000 0.591 174 P HA 0.071 nan 4.420 nan 0.000 0.228 174 P C 0.113 177.506 177.300 0.156 0.000 1.151 174 P CA 0.927 64.025 63.100 -0.003 0.000 0.770 174 P CB -0.230 31.412 31.700 -0.097 0.000 0.786 175 Y N -1.767 118.488 120.300 -0.074 0.000 2.625 175 Y HA 0.258 6.932 4.550 3.539 0.000 0.285 175 Y C 2.191 178.119 175.900 0.046 0.000 1.168 175 Y CA -0.582 57.526 58.100 0.012 0.000 1.250 175 Y CB -0.184 38.302 38.460 0.044 0.000 1.130 175 Y HN -0.033 nan 8.280 nan 0.000 0.526 176 G N -0.024 108.815 108.800 0.064 0.000 2.470 176 G HA2 -0.245 5.838 3.960 3.537 0.000 0.220 176 G HA3 -0.245 5.838 3.960 3.537 0.000 0.220 176 G C 0.632 175.350 174.900 -0.303 0.000 1.121 176 G CA 0.398 45.420 45.100 -0.129 0.000 0.766 176 G HN 0.176 nan 8.290 nan 0.000 0.553 177 E N 0.411 120.527 120.200 -0.140 0.000 1.924 177 E HA 0.264 6.737 4.350 3.537 0.000 0.261 177 E C 1.100 177.702 176.600 0.003 0.000 1.088 177 E CA -0.381 55.937 56.400 -0.136 0.000 0.909 177 E CB -0.635 29.028 29.700 -0.062 0.000 1.112 177 E HN 0.587 nan 8.360 nan 0.000 0.425 178 H N 2.587 121.640 119.070 -0.027 0.000 2.321 178 H HA -0.221 6.457 4.556 3.536 0.000 0.295 178 H C 1.454 176.798 175.328 0.027 0.000 1.102 178 H CA 1.566 57.609 56.048 -0.008 0.000 1.266 178 H CB -0.063 29.689 29.762 -0.016 0.000 1.363 178 H HN 0.578 nan 8.280 nan 0.000 0.492 179 F N 0.915 120.891 119.950 0.043 0.000 2.171 179 F HA -0.237 6.416 4.527 3.544 0.000 0.300 179 F C 2.671 178.439 175.800 -0.053 0.000 1.090 179 F CA 0.967 58.959 58.000 -0.014 0.000 1.293 179 F CB -0.052 38.952 39.000 0.006 0.000 1.013 179 F HN 0.054 nan 8.300 nan 0.000 0.486 180 M N -0.261 119.222 119.600 -0.195 0.000 2.213 180 M HA -0.205 6.398 4.480 3.537 0.000 0.263 180 M C 1.324 177.423 176.300 -0.336 0.000 1.062 180 M CA 1.398 56.521 55.300 -0.294 0.000 1.105 180 M CB 0.028 32.559 32.600 -0.114 0.000 1.385 180 M HN 0.121 nan 8.290 nan 0.000 0.417 181 M N -0.089 119.376 119.600 -0.225 0.000 2.495 181 M HA 0.114 6.716 4.480 3.537 0.000 0.237 181 M C 0.611 176.638 176.300 -0.455 0.000 1.131 181 M CA 0.321 55.486 55.300 -0.226 0.000 1.032 181 M CB -0.897 31.736 32.600 0.055 0.000 1.513 181 M HN 0.254 nan 8.290 nan 0.000 0.488 182 Q N 0.841 120.377 119.800 -0.439 0.000 2.327 182 Q HA 0.122 6.584 4.340 3.537 0.000 0.254 182 Q C -1.187 174.379 176.000 -0.723 0.000 0.952 182 Q CA 0.375 55.949 55.803 -0.382 0.000 0.884 182 Q CB 1.652 30.311 28.738 -0.132 0.000 1.224 182 Q HN 0.347 nan 8.270 nan 0.000 0.422 183 C N 3.119 122.021 119.300 -0.662 0.000 2.620 183 C HA 0.695 7.277 4.460 3.537 0.000 0.356 183 C C -0.353 174.296 174.990 -0.569 0.000 1.082 183 C CA 0.816 59.400 59.018 -0.724 0.000 1.293 183 C CB -0.165 26.969 27.740 -1.010 0.000 1.836 183 C HN 1.062 nan 8.230 nan 0.000 0.453 184 G N 6.220 114.744 108.800 -0.460 0.000 3.019 184 G HA2 0.146 6.229 3.960 3.537 0.000 0.686 184 G HA3 0.146 6.229 3.960 3.537 0.000 0.686 184 G C -1.157 173.364 174.900 -0.631 0.000 1.056 184 G CA 0.074 44.757 45.100 -0.696 0.000 0.774 184 G HN 1.576 nan 8.290 nan 0.000 0.583 185 M N 1.424 120.871 119.600 -0.255 0.000 2.465 185 M HA 0.703 7.306 4.480 3.537 0.000 0.284 185 M C -1.140 175.247 176.300 0.145 0.000 1.212 185 M CA -0.825 54.396 55.300 -0.132 0.000 0.910 185 M CB 2.098 34.677 32.600 -0.035 0.000 1.725 185 M HN 0.764 nan 8.290 nan 0.000 0.477 186 E N 3.429 123.691 120.200 0.103 0.000 2.210 186 E HA 0.695 7.167 4.350 3.537 0.000 0.266 186 E C -1.823 174.751 176.600 -0.045 0.000 0.883 186 E CA -0.806 55.676 56.400 0.137 0.000 0.761 186 E CB 2.078 31.948 29.700 0.283 0.000 1.156 186 E HN 0.596 nan 8.360 nan 0.000 0.412 187 V N 0.849 120.701 119.914 -0.104 0.000 2.925 187 V HA 0.615 6.858 4.120 3.537 0.000 0.311 187 V C -0.795 175.261 176.094 -0.064 0.000 1.104 187 V CA -0.941 61.258 62.300 -0.169 0.000 0.954 187 V CB 1.707 33.244 31.823 -0.477 0.000 1.022 187 V HN 0.425 nan 8.190 nan 0.000 0.427 188 V N 4.715 124.602 119.914 -0.044 0.000 2.407 188 V HA 0.436 6.678 4.120 3.537 0.000 0.278 188 V C 0.317 176.422 176.094 0.018 0.000 1.037 188 V CA -0.316 61.985 62.300 0.002 0.000 0.900 188 V CB 1.135 32.960 31.823 0.003 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.459 189 L N 3.588 124.841 121.223 0.050 0.000 2.456 189 L HA 0.401 6.863 4.340 3.537 0.000 0.257 189 L C 1.861 178.771 176.870 0.067 0.000 1.162 189 L CA -0.150 54.738 54.840 0.079 0.000 0.808 189 L CB 0.580 42.689 42.059 0.083 0.000 1.136 189 L HN 0.720 nan 8.230 nan 0.000 0.466 190 A N 1.331 124.198 122.820 0.078 0.000 2.024 190 A HA -0.196 6.247 4.320 3.537 0.000 0.220 190 A C 1.577 179.191 177.584 0.050 0.000 1.164 190 A CA 1.940 54.017 52.037 0.065 0.000 0.643 190 A CB -0.816 18.227 19.000 0.072 0.000 0.806 190 A HN 0.928 nan 8.150 nan 0.000 0.451 191 N N -1.364 117.361 118.700 0.043 0.000 2.383 191 N HA 0.255 7.117 4.740 3.537 0.000 0.192 191 N C 1.012 176.540 175.510 0.031 0.000 1.141 191 N CA 1.196 54.265 53.050 0.032 0.000 0.851 191 N CB -0.241 38.260 38.487 0.024 0.000 0.976 191 N HN 0.750 nan 8.380 nan 0.000 0.465 192 G N -0.578 108.245 108.800 0.037 0.000 2.241 192 G HA2 -0.263 5.819 3.960 3.537 0.000 0.244 192 G HA3 -0.263 5.819 3.960 3.537 0.000 0.244 192 G C -0.503 174.418 174.900 0.035 0.000 0.998 192 G CA 0.119 45.240 45.100 0.034 0.000 0.621 192 G HN 0.457 nan 8.290 nan 0.000 0.519 193 D N 0.397 120.821 120.400 0.040 0.000 2.443 193 D HA 0.417 7.179 4.640 3.537 0.000 0.239 193 D C 0.555 176.892 176.300 0.061 0.000 1.136 193 D CA 0.200 54.229 54.000 0.048 0.000 0.879 193 D CB 1.591 42.425 40.800 0.056 0.000 1.195 193 D HN 0.193 nan 8.370 nan 0.000 0.443 194 V N 3.599 123.548 119.914 0.058 0.000 2.333 194 V HA 0.120 6.362 4.120 3.537 0.000 0.274 194 V C -0.540 175.611 176.094 0.094 0.000 1.028 194 V CA -0.726 61.605 62.300 0.053 0.000 0.851 194 V CB 0.241 32.074 31.823 0.016 0.000 1.000 194 V HN 0.373 nan 8.190 nan 0.000 0.456 195 Y N 6.236 126.517 120.300 -0.031 0.000 2.341 195 Y HA 0.662 7.334 4.550 3.536 0.000 0.337 195 Y C 0.168 176.063 175.900 -0.009 0.000 1.014 195 Y CA -1.007 57.084 58.100 -0.016 0.000 1.111 195 Y CB 1.117 39.586 38.460 0.016 0.000 1.194 195 Y HN 0.544 nan 8.280 nan 0.000 0.462 196 R N 3.950 124.075 120.500 -0.626 0.000 2.494 196 R HA 0.365 6.827 4.340 3.537 0.000 0.305 196 R C -0.092 175.757 176.300 -0.752 0.000 0.959 196 R CA -0.704 55.098 56.100 -0.496 0.000 0.864 196 R CB 1.542 31.513 30.300 -0.548 0.000 1.159 196 R HN 0.876 nan 8.270 nan 0.000 0.446 197 T N -0.477 113.882 114.554 -0.325 0.000 2.732 197 T HA 0.463 6.935 4.350 3.537 0.000 0.287 197 T C 1.158 175.935 174.700 0.127 0.000 0.993 197 T CA 0.123 62.156 62.100 -0.113 0.000 0.966 197 T CB 1.005 69.959 68.868 0.142 0.000 1.047 197 T HN 0.756 nan 8.240 nan 0.000 0.527 198 G N 1.022 109.919 108.800 0.162 0.000 2.651 198 G HA2 -0.284 5.798 3.960 3.537 0.000 0.315 198 G HA3 -0.284 5.798 3.960 3.537 0.000 0.315 198 G C 0.834 175.839 174.900 0.175 0.000 1.258 198 G CA 0.577 45.788 45.100 0.184 0.000 1.002 198 G HN 0.774 nan 8.290 nan 0.000 0.551 199 M N 2.212 121.940 119.600 0.214 0.000 2.618 199 M HA 0.158 6.760 4.480 3.537 0.000 0.240 199 M C 2.627 178.860 176.300 -0.111 0.000 1.123 199 M CA 1.255 56.628 55.300 0.123 0.000 1.060 199 M CB -1.280 31.433 32.600 0.189 0.000 1.535 199 M HN 0.696 nan 8.290 nan 0.000 0.507 200 G N 0.635 109.206 108.800 -0.381 0.000 2.432 200 G HA2 -0.125 5.957 3.960 3.537 0.000 0.219 200 G HA3 -0.125 5.957 3.960 3.537 0.000 0.219 200 G C 1.506 176.021 174.900 -0.641 0.000 1.135 200 G CA 0.905 45.335 45.100 -1.116 0.000 0.767 200 G HN 0.555 nan 8.290 nan 0.000 0.550 201 G N -0.294 108.297 108.800 -0.349 0.000 2.650 201 G HA2 0.181 6.263 3.960 3.537 0.000 0.214 201 G HA3 0.181 6.263 3.960 3.537 0.000 0.214 201 G C 0.447 175.263 174.900 -0.141 0.000 1.136 201 G CA 0.129 45.102 45.100 -0.212 0.000 0.789 201 G HN 0.285 nan 8.290 nan 0.000 0.536 202 V N 2.368 122.202 119.914 -0.133 0.000 2.427 202 V HA 0.190 6.432 4.120 3.537 0.000 0.268 202 V C -1.920 174.113 176.094 -0.101 0.000 1.046 202 V CA -1.589 60.660 62.300 -0.083 0.000 0.970 202 V CB 1.228 33.022 31.823 -0.048 0.000 1.001 202 V HN 0.031 nan 8.190 nan 0.000 0.476 203 P HA 0.227 nan 4.420 nan 0.000 0.264 203 P C 0.972 178.238 177.300 -0.058 0.000 1.193 203 P CA 1.159 64.215 63.100 -0.074 0.000 0.763 203 P CB 0.635 32.304 31.700 -0.053 0.000 0.810 204 G N 1.964 110.729 108.800 -0.058 0.000 2.179 204 G HA2 -0.275 5.808 3.960 3.537 0.000 0.260 204 G HA3 -0.275 5.808 3.960 3.537 0.000 0.260 204 G C 0.519 175.403 174.900 -0.027 0.000 0.977 204 G CA 0.220 45.299 45.100 -0.035 0.000 0.641 204 G HN 0.781 nan 8.290 nan 0.000 0.533 205 S N 0.680 116.353 115.700 -0.047 0.000 2.558 205 S HA 0.368 6.960 4.470 3.537 0.000 0.288 205 S C 1.282 175.890 174.600 0.013 0.000 1.318 205 S CA 0.879 59.064 58.200 -0.025 0.000 1.056 205 S CB 0.391 63.553 63.200 -0.063 0.000 0.853 205 S HN 1.019 nan 8.310 nan 0.000 0.505 206 N N 1.767 120.494 118.700 0.045 0.000 2.241 206 N HA 0.053 6.915 4.740 3.537 0.000 0.238 206 N C 0.201 175.772 175.510 0.101 0.000 1.244 206 N CA 0.115 53.213 53.050 0.081 0.000 0.880 206 N CB -0.011 38.520 38.487 0.073 0.000 1.179 206 N HN 0.579 nan 8.380 nan 0.000 0.513 207 T N -5.402 109.215 114.554 0.105 0.000 3.182 207 T HA 0.099 6.571 4.350 3.537 0.000 0.277 207 T C 0.703 175.511 174.700 0.179 0.000 1.013 207 T CA -0.562 61.613 62.100 0.125 0.000 0.900 207 T CB -0.359 68.587 68.868 0.130 0.000 1.098 207 T HN 0.172 nan 8.240 nan 0.000 0.543 208 W N 2.655 123.914 121.300 -0.068 0.000 2.342 208 W HA 0.042 6.806 4.660 3.507 0.000 0.297 208 W C 1.167 177.580 176.519 -0.177 0.000 1.213 208 W CA 1.125 58.407 57.345 -0.104 0.000 1.251 208 W CB -0.220 29.173 29.460 -0.111 0.000 1.136 208 W HN 0.266 nan 8.180 nan 0.000 0.526 209 Q N -0.765 118.913 119.800 -0.202 0.000 2.204 209 Q HA 0.140 6.603 4.340 3.537 0.000 0.209 209 Q C 1.530 177.453 176.000 -0.129 0.000 0.861 209 Q CA 0.255 55.778 55.803 -0.468 0.000 0.971 209 Q CB 0.167 28.214 28.738 -1.151 0.000 1.095 209 Q HN 0.184 nan 8.270 nan 0.000 0.486 210 I N -1.379 119.220 120.570 0.049 0.000 3.136 210 I HA 0.157 6.449 4.170 3.537 0.000 0.262 210 I C 0.032 176.344 176.117 0.324 0.000 1.132 210 I CA 0.487 61.901 61.300 0.191 0.000 1.450 210 I CB 0.060 38.136 38.000 0.127 0.000 1.315 210 I HN 0.067 nan 8.210 nan 0.000 0.460 211 F N 2.343 122.340 119.950 0.079 0.000 2.477 211 F HA 0.379 5.051 4.527 0.242 0.000 0.335 211 F C 1.168 176.911 175.800 -0.095 0.000 1.130 211 F CA -0.910 57.092 58.000 0.003 0.000 0.948 211 F CB 1.164 40.166 39.000 0.003 0.000 1.154 211 F HN -0.181 nan 8.300 nan 0.000 0.439 212 K N 3.779 123.663 120.400 -0.861 0.000 1.991 212 K HA -0.183 6.259 4.320 3.537 0.000 0.212 212 K C 1.533 177.729 176.600 -0.673 0.000 1.049 212 K CA 2.790 58.513 56.287 -0.940 0.000 0.932 212 K CB -0.171 31.432 32.500 -1.495 0.000 0.717 212 K HN 0.802 nan 8.250 nan 0.000 0.441 213 W N 0.718 121.545 121.300 -0.788 0.000 2.381 213 W HA -0.025 6.683 4.660 3.413 0.000 0.301 213 W C 1.465 177.920 176.519 -0.106 0.000 1.205 213 W CA 0.116 57.218 57.345 -0.406 0.000 1.285 213 W CB -0.620 28.635 29.460 -0.342 0.000 1.133 213 W HN 0.366 nan 8.180 nan 0.000 0.521 214 G N 0.876 109.809 108.800 0.221 0.000 2.528 214 G HA2 -0.359 5.723 3.960 3.537 0.000 0.262 214 G HA3 -0.359 5.723 3.960 3.537 0.000 0.262 214 G C -1.105 174.102 174.900 0.512 0.000 1.200 214 G CA 0.294 45.646 45.100 0.420 0.000 0.951 214 G HN 0.396 nan 8.290 nan 0.000 0.566 215 Y N 0.911 121.361 120.300 0.250 0.000 2.499 215 Y HA 0.561 7.196 4.550 3.475 0.000 0.347 215 Y C 0.766 176.759 175.900 0.154 0.000 0.987 215 Y CA 1.149 59.368 58.100 0.198 0.000 1.044 215 Y CB 1.475 40.026 38.460 0.153 0.000 1.245 215 Y HN 2.658 nan 8.280 nan 0.000 0.461 216 G N 4.421 112.853 108.800 -0.613 0.000 2.693 216 G HA2 -0.207 5.876 3.960 3.537 0.000 0.226 216 G HA3 -0.207 5.876 3.960 3.537 0.000 0.226 216 G C -2.646 172.170 174.900 -0.140 0.000 1.354 216 G CA -0.699 44.128 45.100 -0.456 0.000 0.873 216 G HN 0.730 nan 8.290 nan 0.000 0.562 217 P HA 0.336 nan 4.420 nan 0.000 0.262 217 P C -0.140 177.197 177.300 0.061 0.000 1.182 217 P CA 0.723 63.806 63.100 -0.028 0.000 0.761 217 P CB 0.868 32.547 31.700 -0.034 0.000 0.795 218 T N 3.263 117.855 114.554 0.064 0.000 2.743 218 T HA 0.355 6.827 4.350 3.537 0.000 0.292 218 T C 0.977 175.781 174.700 0.174 0.000 0.972 218 T CA -0.626 61.572 62.100 0.163 0.000 0.967 218 T CB -0.266 68.717 68.868 0.192 0.000 0.926 218 T HN 0.245 nan 8.240 nan 0.000 0.459 219 L N 3.566 124.951 121.223 0.270 0.000 2.640 219 L HA 0.258 6.721 4.340 3.537 0.000 0.230 219 L C 1.598 178.693 176.870 0.374 0.000 1.123 219 L CA -0.083 54.912 54.840 0.259 0.000 0.900 219 L CB -0.069 42.162 42.059 0.288 0.000 1.146 219 L HN 0.542 nan 8.230 nan 0.000 0.484 220 D N 1.382 122.041 120.400 0.432 0.000 2.133 220 D HA -0.203 6.559 4.640 3.537 0.000 0.192 220 D C 2.239 178.792 176.300 0.423 0.000 1.001 220 D CA 1.726 56.020 54.000 0.491 0.000 0.844 220 D CB -0.194 40.865 40.800 0.431 0.000 0.944 220 D HN 0.333 nan 8.370 nan 0.000 0.447 221 G N 0.326 109.383 108.800 0.428 0.000 2.432 221 G HA2 -0.286 5.796 3.960 3.537 0.000 0.219 221 G HA3 -0.286 5.796 3.960 3.537 0.000 0.219 221 G C 1.444 176.326 174.900 -0.030 0.000 1.135 221 G CA 0.572 45.767 45.100 0.159 0.000 0.767 221 G HN 0.208 nan 8.290 nan 0.000 0.550 222 M N -0.645 118.935 119.600 -0.032 0.000 2.279 222 M HA 0.062 6.665 4.480 3.537 0.000 0.264 222 M C 1.754 177.936 176.300 -0.198 0.000 1.062 222 M CA 1.244 56.448 55.300 -0.161 0.000 1.099 222 M CB -0.073 32.324 32.600 -0.337 0.000 1.394 222 M HN 0.249 nan 8.290 nan 0.000 0.426 223 F N -0.032 119.964 119.950 0.076 0.000 2.473 223 F HA 0.035 6.680 4.527 3.529 0.000 0.294 223 F C 1.609 177.335 175.800 -0.124 0.000 1.103 223 F CA 0.594 58.610 58.000 0.027 0.000 1.442 223 F CB -0.840 38.196 39.000 0.060 0.000 1.097 223 F HN 0.099 nan 8.300 nan 0.000 0.547 224 T N -0.724 113.786 114.554 -0.072 0.000 2.930 224 T HA 0.069 6.541 4.350 3.537 0.000 0.306 224 T C 0.485 175.038 174.700 -0.245 0.000 1.045 224 T CA -0.383 61.569 62.100 -0.248 0.000 1.134 224 T CB 1.018 69.538 68.868 -0.580 0.000 0.961 224 T HN 0.385 nan 8.240 nan 0.000 0.545 225 Q N -0.352 119.307 119.800 -0.235 0.000 2.457 225 Q HA -0.238 6.224 4.340 3.537 0.000 0.283 225 Q C 0.087 175.939 176.000 -0.245 0.000 1.234 225 Q CA 0.753 56.420 55.803 -0.227 0.000 0.877 225 Q CB -1.963 26.634 28.738 -0.235 0.000 1.250 225 Q HN 1.090 nan 8.270 nan 0.000 0.481 226 A N 0.831 123.490 122.820 -0.268 0.000 2.552 226 A HA 0.702 7.144 4.320 3.537 0.000 0.288 226 A C -0.443 176.911 177.584 -0.383 0.000 1.193 226 A CA -0.388 51.389 52.037 -0.434 0.000 0.713 226 A CB 0.957 19.600 19.000 -0.595 0.000 1.305 226 A HN 0.294 nan 8.150 nan 0.000 0.424 227 N N -0.669 117.701 118.700 -0.550 0.000 2.644 227 N HA 0.236 7.098 4.740 3.537 0.000 0.313 227 N C -1.244 174.185 175.510 -0.134 0.000 1.863 227 N CA -0.223 52.664 53.050 -0.272 0.000 0.918 227 N CB -0.144 38.238 38.487 -0.174 0.000 1.320 227 N HN 0.445 nan 8.380 nan 0.000 0.490 228 Y N -0.184 120.155 120.300 0.065 0.000 2.467 228 Y HA 0.594 7.266 4.550 3.536 0.000 0.250 228 Y C 1.283 177.367 175.900 0.307 0.000 1.155 228 Y CA -0.597 57.569 58.100 0.110 0.000 1.249 228 Y CB 0.691 39.114 38.460 -0.062 0.000 1.146 228 Y HN 0.388 nan 8.280 nan 0.000 0.524 229 G N -0.493 108.534 108.800 0.377 0.000 2.466 229 G HA2 0.488 6.570 3.960 3.537 0.000 0.291 229 G HA3 0.488 6.570 3.960 3.537 0.000 0.291 229 G C -1.892 173.026 174.900 0.029 0.000 1.460 229 G CA -0.896 44.318 45.100 0.189 0.000 0.791 229 G HN -0.060 nan 8.290 nan 0.000 0.505 230 I N 0.759 121.303 120.570 -0.043 0.000 2.355 230 I HA 0.306 6.598 4.170 3.537 0.000 0.288 230 I C 0.364 176.418 176.117 -0.104 0.000 0.999 230 I CA -0.621 60.633 61.300 -0.077 0.000 1.163 230 I CB 1.632 39.597 38.000 -0.057 0.000 1.316 230 I HN 0.556 nan 8.210 nan 0.000 0.454 231 C N 5.555 124.784 119.300 -0.119 0.000 2.629 231 C HA 0.273 6.855 4.460 3.537 0.000 0.410 231 C C 1.715 176.654 174.990 -0.085 0.000 1.339 231 C CA 0.198 59.146 59.018 -0.117 0.000 1.810 231 C CB -0.400 27.271 27.740 -0.115 0.000 2.549 231 C HN 0.964 nan 8.230 nan 0.000 0.589 232 T N 1.581 116.099 114.554 -0.060 0.000 2.975 232 T HA 0.324 6.796 4.350 3.537 0.000 0.257 232 T C 0.087 174.775 174.700 -0.021 0.000 1.003 232 T CA 0.049 62.129 62.100 -0.034 0.000 0.932 232 T CB 0.023 68.883 68.868 -0.013 0.000 1.087 232 T HN 0.761 nan 8.240 nan 0.000 0.512 233 K N 0.411 120.795 120.400 -0.026 0.000 2.542 233 K HA 0.644 7.087 4.320 3.537 0.000 0.259 233 K C -1.843 174.673 176.600 -0.140 0.000 0.932 233 K CA -0.573 55.685 56.287 -0.048 0.000 0.820 233 K CB 2.844 35.367 32.500 0.039 0.000 1.345 233 K HN 0.123 nan 8.250 nan 0.000 0.432 234 M N 1.255 120.749 119.600 -0.176 0.000 2.371 234 M HA 0.477 7.080 4.480 3.537 0.000 0.287 234 M C -1.355 174.841 176.300 -0.173 0.000 1.149 234 M CA -0.433 54.745 55.300 -0.204 0.000 0.929 234 M CB 2.142 34.687 32.600 -0.093 0.000 1.683 234 M HN 0.802 nan 8.290 nan 0.000 0.470 235 G N 2.993 111.599 108.800 -0.324 0.000 2.454 235 G HA2 0.864 6.946 3.960 3.537 0.000 0.329 235 G HA3 0.864 6.946 3.960 3.537 0.000 0.329 235 G C -1.662 173.204 174.900 -0.057 0.000 1.177 235 G CA -0.554 44.370 45.100 -0.293 0.000 0.951 235 G HN 0.772 nan 8.290 nan 0.000 0.485 236 F N -2.155 117.653 119.950 -0.235 0.000 2.703 236 F HA 0.613 7.260 4.527 3.533 0.000 0.308 236 F C -1.538 174.289 175.800 0.045 0.000 1.126 236 F CA -2.518 55.342 58.000 -0.233 0.000 0.959 236 F CB 0.883 39.810 39.000 -0.122 0.000 1.297 236 F HN 0.416 nan 8.300 nan 0.000 0.441 237 W N 2.911 124.340 121.300 0.215 0.000 2.251 237 W HA 0.667 7.428 4.660 3.502 0.000 0.329 237 W C -0.665 176.057 176.519 0.338 0.000 1.234 237 W CA -1.395 56.088 57.345 0.231 0.000 1.228 237 W CB 0.995 30.600 29.460 0.243 0.000 1.135 237 W HN 0.502 nan 8.180 nan 0.000 0.576 238 L N 3.595 125.045 121.223 0.377 0.000 2.346 238 L HA 0.464 6.927 4.340 3.537 0.000 0.276 238 L C 0.229 176.925 176.870 -0.291 0.000 1.006 238 L CA -1.043 53.821 54.840 0.041 0.000 0.817 238 L CB 1.825 43.874 42.059 -0.016 0.000 1.272 238 L HN 0.271 nan 8.230 nan 0.000 0.421 239 M N 4.138 123.229 119.600 -0.850 0.000 2.200 239 M HA 0.324 6.926 4.480 3.537 0.000 0.355 239 M C -2.340 173.752 176.300 -0.348 0.000 1.283 239 M CA -1.281 53.471 55.300 -0.914 0.000 1.124 239 M CB 1.319 33.253 32.600 -1.110 0.000 1.625 239 M HN 0.195 nan 8.290 nan 0.000 0.463 240 P HA 0.074 nan 4.420 nan 0.000 0.271 240 P C -1.573 175.677 177.300 -0.083 0.000 1.216 240 P CA -0.092 62.947 63.100 -0.102 0.000 0.776 240 P CB 0.419 32.086 31.700 -0.056 0.000 0.881 241 K N 4.853 125.220 120.400 -0.055 0.000 2.378 241 K HA 0.150 6.593 4.320 3.537 0.000 0.288 241 K C -1.829 174.781 176.600 0.015 0.000 1.057 241 K CA -1.379 54.894 56.287 -0.024 0.000 0.971 241 K CB -0.188 32.299 32.500 -0.022 0.000 0.975 241 K HN 0.380 nan 8.250 nan 0.000 0.475 242 P HA 0.182 nan 4.420 nan 0.000 0.276 242 P C -2.360 174.995 177.300 0.091 0.000 1.252 242 P CA -1.386 61.773 63.100 0.098 0.000 0.802 242 P CB 0.848 32.661 31.700 0.189 0.000 1.035 243 P HA -0.033 nan 4.420 nan 0.000 0.216 243 P C 0.001 177.349 177.300 0.079 0.000 1.153 243 P CA 1.080 64.219 63.100 0.064 0.000 0.848 243 P CB 0.162 31.892 31.700 0.051 0.000 0.787 244 V N -0.341 119.633 119.914 0.099 0.000 2.604 244 V HA 0.429 6.671 4.120 3.537 0.000 0.305 244 V C -0.903 175.283 176.094 0.153 0.000 1.043 244 V CA -0.805 61.551 62.300 0.095 0.000 0.888 244 V CB 2.205 34.052 31.823 0.041 0.000 0.995 244 V HN -0.079 nan 8.190 nan 0.000 0.429 245 F N 4.306 124.220 119.950 -0.059 0.000 2.507 245 F HA 0.620 7.269 4.527 3.538 0.000 0.328 245 F C -0.244 175.452 175.800 -0.173 0.000 1.136 245 F CA -0.513 57.388 58.000 -0.165 0.000 0.930 245 F CB 1.211 40.146 39.000 -0.108 0.000 1.166 245 F HN 0.423 nan 8.300 nan 0.000 0.436 246 K N 9.266 129.197 120.400 -0.783 0.000 2.579 246 K HA 0.418 6.861 4.320 3.537 0.000 0.225 246 K C -2.973 173.183 176.600 -0.741 0.000 0.992 246 K CA -2.094 53.781 56.287 -0.686 0.000 1.018 246 K CB 1.403 33.644 32.500 -0.432 0.000 1.249 246 K HN 0.310 nan 8.250 nan 0.000 0.489 247 P HA 0.277 nan 4.420 nan 0.000 0.281 247 P C -1.009 176.289 177.300 -0.003 0.000 1.249 247 P CA -0.336 62.436 63.100 -0.548 0.000 0.810 247 P CB 0.557 31.915 31.700 -0.570 0.000 1.008 248 F N -1.865 118.033 119.950 -0.088 0.000 2.711 248 F HA 0.733 7.382 4.527 3.537 0.000 0.313 248 F C -1.344 174.506 175.800 0.082 0.000 1.141 248 F CA -1.229 56.859 58.000 0.145 0.000 0.941 248 F CB 1.725 40.824 39.000 0.165 0.000 1.349 248 F HN 0.321 nan 8.300 nan 0.000 0.464 249 E N 1.043 121.429 120.200 0.310 0.000 2.367 249 E HA 0.718 7.191 4.350 3.537 0.000 0.273 249 E C -2.163 174.413 176.600 -0.041 0.000 0.903 249 E CA -1.064 55.259 56.400 -0.128 0.000 0.764 249 E CB 2.959 32.493 29.700 -0.276 0.000 1.252 249 E HN 0.673 nan 8.360 nan 0.000 0.446 250 V N 4.738 124.509 119.914 -0.240 0.000 2.482 250 V HA 0.403 6.646 4.120 3.537 0.000 0.295 250 V C -0.242 175.574 176.094 -0.462 0.000 1.026 250 V CA -0.650 61.406 62.300 -0.408 0.000 0.856 250 V CB 1.341 32.771 31.823 -0.656 0.000 1.001 250 V HN 0.607 nan 8.190 nan 0.000 0.424 251 I N 5.092 125.369 120.570 -0.488 0.000 2.331 251 I HA 0.494 6.787 4.170 3.537 0.000 0.292 251 I C -0.838 174.988 176.117 -0.485 0.000 0.998 251 I CA -0.105 61.003 61.300 -0.320 0.000 1.267 251 I CB 1.069 38.972 38.000 -0.163 0.000 1.386 251 I HN 0.406 nan 8.210 nan 0.000 0.476 252 F N 4.052 124.028 119.950 0.043 0.000 2.480 252 F HA 0.344 6.993 4.527 3.537 0.000 0.329 252 F C 1.284 177.145 175.800 0.101 0.000 1.091 252 F CA -0.539 57.513 58.000 0.088 0.000 0.972 252 F CB 1.528 40.621 39.000 0.155 0.000 1.150 252 F HN 0.471 nan 8.300 nan 0.000 0.467 253 E N 0.262 120.606 120.200 0.240 0.000 2.250 253 E HA -0.018 6.454 4.350 3.537 0.000 0.192 253 E C -0.585 176.106 176.600 0.152 0.000 0.986 253 E CA 0.650 57.141 56.400 0.151 0.000 0.849 253 E CB 0.211 29.970 29.700 0.099 0.000 0.797 253 E HN 0.598 nan 8.360 nan 0.000 0.482 254 D N 0.036 120.562 120.400 0.210 0.000 2.192 254 D HA 0.096 6.858 4.640 3.537 0.000 0.246 254 D C 0.285 176.741 176.300 0.260 0.000 1.042 254 D CA -0.279 53.829 54.000 0.180 0.000 0.847 254 D CB 1.515 42.405 40.800 0.151 0.000 1.186 254 D HN -0.115 nan 8.370 nan 0.000 0.461 255 E N 1.265 121.575 120.200 0.183 0.000 2.097 255 E HA -0.272 6.201 4.350 3.537 0.000 0.196 255 E C 1.649 178.516 176.600 0.446 0.000 1.000 255 E CA 1.157 57.732 56.400 0.292 0.000 0.804 255 E CB 0.003 29.792 29.700 0.148 0.000 0.740 255 E HN 0.534 nan 8.360 nan 0.000 0.454 256 A N 1.389 124.349 122.820 0.233 0.000 2.121 256 A HA -0.171 6.271 4.320 3.537 0.000 0.218 256 A C 1.401 179.036 177.584 0.085 0.000 1.154 256 A CA 1.183 53.305 52.037 0.142 0.000 0.679 256 A CB -0.156 18.896 19.000 0.087 0.000 0.795 256 A HN 0.104 nan 8.150 nan 0.000 0.458 257 D N -0.229 120.248 120.400 0.130 0.000 2.263 257 D HA -0.134 6.629 4.640 3.537 0.000 0.208 257 D C 1.546 177.699 176.300 -0.244 0.000 0.971 257 D CA 0.720 54.716 54.000 -0.007 0.000 0.867 257 D CB -0.329 40.519 40.800 0.080 0.000 0.929 257 D HN 0.445 nan 8.370 nan 0.000 0.492 258 I N 0.738 121.110 120.570 -0.330 0.000 2.300 258 I HA -0.286 6.007 4.170 3.537 0.000 0.252 258 I C 2.028 177.837 176.117 -0.514 0.000 1.119 258 I CA 0.985 61.854 61.300 -0.718 0.000 1.384 258 I CB -0.089 37.366 38.000 -0.909 0.000 1.062 258 I HN -0.168 nan 8.210 nan 0.000 0.426 259 V N 0.331 120.058 119.914 -0.311 0.000 2.237 259 V HA -0.304 5.938 4.120 3.537 0.000 0.245 259 V C 2.373 178.326 176.094 -0.235 0.000 1.046 259 V CA 2.352 64.505 62.300 -0.245 0.000 1.007 259 V CB -0.896 30.841 31.823 -0.144 0.000 0.638 259 V HN 0.449 nan 8.190 nan 0.000 0.445 260 E N -0.232 119.848 120.200 -0.199 0.000 2.150 260 E HA -0.125 6.348 4.350 3.537 0.000 0.193 260 E C 2.130 178.602 176.600 -0.214 0.000 0.985 260 E CA 1.114 57.417 56.400 -0.162 0.000 0.814 260 E CB -0.172 29.471 29.700 -0.094 0.000 0.752 260 E HN 0.577 nan 8.360 nan 0.000 0.466 261 I N 0.459 120.808 120.570 -0.368 0.000 2.142 261 I HA -0.271 6.022 4.170 3.537 0.000 0.240 261 I C 2.304 178.252 176.117 -0.282 0.000 1.078 261 I CA 0.920 61.957 61.300 -0.439 0.000 1.343 261 I CB -0.310 37.217 38.000 -0.789 0.000 1.046 261 I HN -0.006 nan 8.210 nan 0.000 0.405 262 V N 0.802 120.501 119.914 -0.358 0.000 2.343 262 V HA -0.286 5.956 4.120 3.537 0.000 0.247 262 V C 1.997 177.967 176.094 -0.207 0.000 1.051 262 V CA 1.979 64.095 62.300 -0.308 0.000 1.036 262 V CB -0.700 30.868 31.823 -0.424 0.000 0.654 262 V HN 0.410 nan 8.190 nan 0.000 0.451 263 D N 0.261 120.546 120.400 -0.192 0.000 2.219 263 D HA -0.061 6.702 4.640 3.537 0.000 0.205 263 D C 2.131 178.357 176.300 -0.124 0.000 0.970 263 D CA 1.476 55.391 54.000 -0.142 0.000 0.851 263 D CB -0.111 40.613 40.800 -0.126 0.000 0.943 263 D HN 0.474 nan 8.370 nan 0.000 0.488 264 A N 0.450 123.191 122.820 -0.130 0.000 1.930 264 A HA -0.025 6.417 4.320 3.537 0.000 0.215 264 A C 2.077 179.569 177.584 -0.154 0.000 1.176 264 A CA 0.464 52.412 52.037 -0.148 0.000 0.632 264 A CB -0.396 18.510 19.000 -0.158 0.000 0.819 264 A HN 0.212 nan 8.150 nan 0.000 0.445 265 L N 0.049 121.213 121.223 -0.098 0.000 2.109 265 L HA -0.023 6.439 4.340 3.537 0.000 0.207 265 L C 2.351 179.194 176.870 -0.044 0.000 1.086 265 L CA 2.139 56.957 54.840 -0.038 0.000 0.760 265 L CB -0.629 41.438 42.059 0.014 0.000 0.910 265 L HN 0.466 nan 8.230 nan 0.000 0.437 266 R N -0.125 120.334 120.500 -0.070 0.000 2.112 266 R HA -0.198 6.265 4.340 3.537 0.000 0.242 266 R C -0.482 175.793 176.300 -0.042 0.000 1.137 266 R CA 2.491 58.556 56.100 -0.058 0.000 0.944 266 R CB -1.546 28.709 30.300 -0.074 0.000 0.857 266 R HN 0.313 nan 8.270 nan 0.000 0.435 267 P HA -0.125 nan 4.420 nan 0.000 0.218 267 P C 1.086 178.369 177.300 -0.028 0.000 1.149 267 P CA 1.239 64.313 63.100 -0.043 0.000 0.817 267 P CB -0.035 31.630 31.700 -0.059 0.000 0.785 268 L N -1.431 119.774 121.223 -0.030 0.000 2.093 268 L HA -0.143 6.319 4.340 3.537 0.000 0.208 268 L C 2.621 179.515 176.870 0.040 0.000 1.085 268 L CA 1.306 56.148 54.840 0.003 0.000 0.755 268 L CB -0.478 41.586 42.059 0.008 0.000 0.904 268 L HN -0.085 nan 8.230 nan 0.000 0.435 269 R N -0.547 119.973 120.500 0.033 0.000 2.075 269 R HA -0.050 6.412 4.340 3.537 0.000 0.226 269 R C 2.128 178.445 176.300 0.029 0.000 1.114 269 R CA 1.173 57.299 56.100 0.044 0.000 0.972 269 R CB -0.554 29.764 30.300 0.031 0.000 0.869 269 R HN 0.342 nan 8.270 nan 0.000 0.437 270 M N 1.150 120.756 119.600 0.011 0.000 2.213 270 M HA -0.138 6.464 4.480 3.537 0.000 0.263 270 M C 1.796 178.104 176.300 0.012 0.000 1.062 270 M CA 1.871 57.175 55.300 0.007 0.000 1.105 270 M CB 0.002 32.599 32.600 -0.006 0.000 1.385 270 M HN 0.103 nan 8.290 nan 0.000 0.417 271 S N -0.912 114.796 115.700 0.015 0.000 2.593 271 S HA 0.027 6.619 4.470 3.537 0.000 0.217 271 S C 0.896 175.516 174.600 0.035 0.000 0.966 271 S CA 0.672 58.883 58.200 0.019 0.000 0.914 271 S CB -0.258 62.950 63.200 0.012 0.000 0.776 271 S HN 0.705 nan 8.310 nan 0.000 0.523 272 N N 0.042 118.770 118.700 0.045 0.000 2.828 272 N HA -0.166 6.696 4.740 3.537 0.000 0.248 272 N C 0.591 176.156 175.510 0.092 0.000 1.044 272 N CA 1.299 54.388 53.050 0.065 0.000 0.851 272 N CB -2.180 36.339 38.487 0.054 0.000 1.136 272 N HN 0.460 nan 8.380 nan 0.000 0.572 273 T N -0.220 114.385 114.554 0.086 0.000 2.788 273 T HA 0.046 6.519 4.350 3.537 0.000 0.268 273 T C 0.901 175.702 174.700 0.168 0.000 1.044 273 T CA 1.102 63.266 62.100 0.107 0.000 1.139 273 T CB 0.104 69.015 68.868 0.072 0.000 0.867 273 T HN 0.319 nan 8.240 nan 0.000 0.454 274 I N 2.797 123.474 120.570 0.178 0.000 2.359 274 I HA 0.207 6.499 4.170 3.537 0.000 0.284 274 I C -1.693 174.543 176.117 0.199 0.000 1.018 274 I CA -2.173 59.277 61.300 0.251 0.000 1.173 274 I CB 2.566 40.729 38.000 0.273 0.000 1.326 274 I HN -0.048 nan 8.210 nan 0.000 0.462 275 P HA -0.016 nan 4.420 nan 0.000 0.245 275 P C -0.247 177.122 177.300 0.115 0.000 1.203 275 P CA 0.513 63.701 63.100 0.148 0.000 0.792 275 P CB 0.195 31.975 31.700 0.133 0.000 0.997 276 N N -0.233 118.582 118.700 0.191 0.000 2.482 276 N HA 0.067 6.929 4.740 3.537 0.000 0.279 276 N C -0.551 175.027 175.510 0.113 0.000 1.182 276 N CA -0.496 52.644 53.050 0.149 0.000 0.969 276 N CB 0.264 38.922 38.487 0.285 0.000 1.201 276 N HN -0.295 nan 8.380 nan 0.000 0.523 277 S N 0.482 116.223 115.700 0.070 0.000 2.519 277 S HA 0.111 6.704 4.470 3.537 0.000 0.320 277 S C 0.479 175.144 174.600 0.110 0.000 1.179 277 S CA -0.672 57.550 58.200 0.036 0.000 1.173 277 S CB -0.692 62.458 63.200 -0.083 0.000 1.224 277 S HN 0.370 nan 8.310 nan 0.000 0.542 278 V N 4.053 124.022 119.914 0.091 0.000 3.096 278 V HA 0.174 6.417 4.120 3.537 0.000 0.306 278 V C 0.525 176.670 176.094 0.085 0.000 1.088 278 V CA -0.149 62.200 62.300 0.081 0.000 1.129 278 V CB 1.119 32.983 31.823 0.069 0.000 1.014 278 V HN 0.521 nan 8.190 nan 0.000 0.486 279 V N 4.551 124.504 119.914 0.066 0.000 2.656 279 V HA 0.506 6.749 4.120 3.537 0.000 0.307 279 V C -0.383 175.754 176.094 0.072 0.000 1.051 279 V CA -0.413 61.915 62.300 0.047 0.000 0.893 279 V CB 1.942 33.745 31.823 -0.034 0.000 0.999 279 V HN 0.652 nan 8.190 nan 0.000 0.426 280 I N 4.267 124.891 120.570 0.089 0.000 2.464 280 I HA 0.572 6.865 4.170 3.537 0.000 0.277 280 I C 0.316 176.610 176.117 0.295 0.000 1.040 280 I CA -0.430 60.974 61.300 0.175 0.000 1.153 280 I CB 1.490 39.529 38.000 0.066 0.000 1.274 280 I HN 0.643 nan 8.210 nan 0.000 0.469 281 A N 4.560 127.532 122.820 0.253 0.000 2.328 281 A HA 0.615 7.058 4.320 3.537 0.000 0.284 281 A C 0.580 178.343 177.584 0.299 0.000 1.160 281 A CA -0.357 51.774 52.037 0.156 0.000 0.818 281 A CB 0.608 19.636 19.000 0.047 0.000 1.087 281 A HN 0.734 nan 8.150 nan 0.000 0.504 282 S N 2.120 117.907 115.700 0.145 0.000 2.600 282 S HA 0.168 6.761 4.470 3.537 0.000 0.265 282 S C 1.203 175.733 174.600 -0.116 0.000 1.325 282 S CA 0.410 58.446 58.200 -0.274 0.000 1.002 282 S CB 0.256 63.261 63.200 -0.326 0.000 0.921 282 S HN 0.705 nan 8.310 nan 0.000 0.554 283 T N 1.727 116.149 114.554 -0.219 0.000 2.665 283 T HA -0.129 6.344 4.350 3.537 0.000 0.268 283 T C 1.635 176.248 174.700 -0.146 0.000 1.035 283 T CA 1.872 63.893 62.100 -0.132 0.000 1.151 283 T CB -0.638 68.143 68.868 -0.145 0.000 0.862 283 T HN 0.547 nan 8.240 nan 0.000 0.438 284 L N -0.686 120.403 121.223 -0.224 0.000 2.291 284 L HA 0.028 6.490 4.340 3.537 0.000 0.214 284 L C 2.523 179.184 176.870 -0.348 0.000 1.120 284 L CA 0.699 55.264 54.840 -0.459 0.000 0.799 284 L CB -0.396 41.305 42.059 -0.597 0.000 0.925 284 L HN 0.455 nan 8.230 nan 0.000 0.446 285 W N 1.785 122.920 121.300 -0.275 0.000 2.407 285 W HA -0.180 6.602 4.660 3.537 0.000 0.305 285 W C 2.256 178.732 176.519 -0.072 0.000 1.196 285 W CA 1.710 58.965 57.345 -0.151 0.000 1.311 285 W CB 0.008 29.433 29.460 -0.058 0.000 1.135 285 W HN 0.195 nan 8.180 nan 0.000 0.514 286 E N 0.824 121.204 120.200 0.300 0.000 2.058 286 E HA -0.185 6.287 4.350 3.537 0.000 0.194 286 E C 2.309 178.986 176.600 0.127 0.000 0.997 286 E CA 2.591 59.145 56.400 0.257 0.000 0.801 286 E CB -0.719 29.098 29.700 0.195 0.000 0.746 286 E HN 0.103 nan 8.360 nan 0.000 0.450 287 A N 0.124 122.944 122.820 -0.002 0.000 1.883 287 A HA -0.087 6.355 4.320 3.537 0.000 0.217 287 A C 2.514 180.111 177.584 0.023 0.000 1.186 287 A CA 1.985 54.010 52.037 -0.021 0.000 0.624 287 A CB -1.459 17.442 19.000 -0.165 0.000 0.822 287 A HN 0.434 nan 8.150 nan 0.000 0.444 288 G N -0.169 108.568 108.800 -0.104 0.000 2.418 288 G HA2 -0.213 5.870 3.960 3.537 0.000 0.217 288 G HA3 -0.213 5.870 3.960 3.537 0.000 0.217 288 G C 1.967 176.876 174.900 0.015 0.000 1.158 288 G CA 1.863 46.942 45.100 -0.034 0.000 0.771 288 G HN 0.917 nan 8.290 nan 0.000 0.545 289 S N 0.703 116.391 115.700 -0.019 0.000 2.423 289 S HA 0.264 6.856 4.470 3.537 0.000 0.231 289 S C 2.265 176.877 174.600 0.020 0.000 1.014 289 S CA 1.245 59.442 58.200 -0.005 0.000 0.965 289 S CB -0.181 63.127 63.200 0.179 0.000 0.785 289 S HN 0.568 nan 8.310 nan 0.000 0.495 290 A N 0.331 123.197 122.820 0.078 0.000 2.251 290 A HA 0.287 6.730 4.320 3.537 0.000 0.209 290 A C 0.542 178.161 177.584 0.058 0.000 1.187 290 A CA 0.191 52.232 52.037 0.007 0.000 0.823 290 A CB -0.976 18.079 19.000 0.091 0.000 0.846 290 A HN 0.795 nan 8.150 nan 0.000 0.486 291 H N -2.087 117.009 119.070 0.044 0.000 2.969 291 H HA -0.123 6.555 4.556 3.537 0.000 0.269 291 H C -0.550 174.849 175.328 0.119 0.000 1.230 291 H CA 0.085 56.168 56.048 0.058 0.000 1.123 291 H CB -1.985 27.796 29.762 0.031 0.000 1.289 291 H HN 0.431 nan 8.280 nan 0.000 0.364 292 L N 1.496 122.896 121.223 0.295 0.000 2.379 292 L HA 0.429 6.892 4.340 3.537 0.000 0.269 292 L C 1.130 178.252 176.870 0.420 0.000 1.084 292 L CA -0.023 55.022 54.840 0.342 0.000 0.802 292 L CB 1.426 43.709 42.059 0.372 0.000 1.175 292 L HN 0.229 nan 8.230 nan 0.000 0.448 293 T N -2.103 112.633 114.554 0.303 0.000 2.908 293 T HA 0.336 6.809 4.350 3.537 0.000 0.290 293 T C 0.676 175.190 174.700 -0.309 0.000 1.034 293 T CA -0.871 61.255 62.100 0.044 0.000 1.010 293 T CB 2.095 70.933 68.868 -0.049 0.000 1.068 293 T HN 0.614 nan 8.240 nan 0.000 0.481 294 R N 0.881 120.670 120.500 -1.186 0.000 2.105 294 R HA -0.056 6.407 4.340 3.537 0.000 0.239 294 R C 2.409 178.500 176.300 -0.349 0.000 1.135 294 R CA 1.637 57.074 56.100 -1.105 0.000 0.967 294 R CB -0.931 28.588 30.300 -1.301 0.000 0.861 294 R HN 0.843 nan 8.270 nan 0.000 0.442 295 A N 0.517 123.164 122.820 -0.288 0.000 2.131 295 A HA -0.188 6.255 4.320 3.537 0.000 0.220 295 A C 1.832 179.365 177.584 -0.085 0.000 1.158 295 A CA 1.259 53.205 52.037 -0.151 0.000 0.665 295 A CB -0.292 18.626 19.000 -0.138 0.000 0.795 295 A HN 0.515 nan 8.150 nan 0.000 0.460 296 Q N -2.413 117.365 119.800 -0.037 0.000 2.311 296 Q HA -0.066 6.396 4.340 3.537 0.000 0.203 296 Q C 0.845 176.703 176.000 -0.237 0.000 0.954 296 Q CA 1.129 56.880 55.803 -0.088 0.000 0.885 296 Q CB -0.021 28.707 28.738 -0.017 0.000 0.963 296 Q HN 0.893 nan 8.270 nan 0.000 0.471 297 Y N -1.318 118.962 120.300 -0.034 0.000 2.430 297 Y HA 0.245 6.918 4.550 3.538 0.000 0.254 297 Y C 0.592 176.481 175.900 -0.019 0.000 1.088 297 Y CA 0.231 58.333 58.100 0.003 0.000 1.267 297 Y CB 1.617 40.116 38.460 0.065 0.000 1.204 297 Y HN -0.162 nan 8.280 nan 0.000 0.515 298 T N -1.379 113.215 114.554 0.067 0.000 2.843 298 T HA 0.310 6.782 4.350 3.537 0.000 0.337 298 T C -0.206 174.469 174.700 -0.043 0.000 1.754 298 T CA 0.071 62.178 62.100 0.012 0.000 1.052 298 T CB 0.774 69.662 68.868 0.034 0.000 1.588 298 T HN 0.032 nan 8.240 nan 0.000 0.493 299 T N -0.516 114.012 114.554 -0.044 0.000 3.209 299 T HA 0.386 6.859 4.350 3.537 0.000 0.295 299 T C 0.230 174.901 174.700 -0.049 0.000 0.977 299 T CA -0.274 61.792 62.100 -0.057 0.000 0.922 299 T CB 0.326 69.163 68.868 -0.053 0.000 1.152 299 T HN 0.564 nan 8.240 nan 0.000 0.527 300 E N 3.232 123.405 120.200 -0.045 0.000 2.415 300 E HA 0.359 6.831 4.350 3.537 0.000 0.262 300 E C -2.338 174.228 176.600 -0.057 0.000 1.038 300 E CA -1.421 54.949 56.400 -0.049 0.000 0.921 300 E CB 0.293 29.961 29.700 -0.054 0.000 0.950 300 E HN 0.202 nan 8.360 nan 0.000 0.438 301 P HA 0.306 nan 4.420 nan 0.000 0.274 301 P C -0.183 177.079 177.300 -0.063 0.000 1.260 301 P CA 0.340 63.415 63.100 -0.041 0.000 0.793 301 P CB 0.500 32.183 31.700 -0.028 0.000 1.048 302 G N -0.655 108.128 108.800 -0.029 0.000 2.693 302 G HA2 -0.137 5.945 3.960 3.537 0.000 0.226 302 G HA3 -0.137 5.945 3.960 3.537 0.000 0.226 302 G C -0.334 174.549 174.900 -0.029 0.000 1.354 302 G CA -0.148 44.936 45.100 -0.027 0.000 0.873 302 G HN 1.010 nan 8.290 nan 0.000 0.562 303 H N -0.722 118.320 119.070 -0.047 0.000 2.745 303 H HA 0.456 7.135 4.556 3.538 0.000 0.373 303 H C 0.351 175.655 175.328 -0.041 0.000 1.226 303 H CA 0.624 56.633 56.048 -0.066 0.000 1.435 303 H CB -0.095 29.439 29.762 -0.381 0.000 1.461 303 H HN 0.504 nan 8.280 nan 0.000 0.616 304 T N 4.337 118.987 114.554 0.160 0.000 2.769 304 T HA 0.133 6.606 4.350 3.537 0.000 0.293 304 T C -2.236 172.538 174.700 0.122 0.000 0.931 304 T CA -0.812 61.374 62.100 0.144 0.000 1.139 304 T CB 0.151 69.220 68.868 0.335 0.000 0.881 304 T HN 0.472 nan 8.240 nan 0.000 0.532 305 P HA 0.006 nan 4.420 nan 0.000 0.264 305 P C 0.777 178.145 177.300 0.113 0.000 1.183 305 P CA -0.058 63.052 63.100 0.016 0.000 0.763 305 P CB 0.490 32.176 31.700 -0.024 0.000 0.807 306 D N 1.416 121.906 120.400 0.150 0.000 2.228 306 D HA -0.151 6.612 4.640 3.537 0.000 0.203 306 D C 1.659 178.013 176.300 0.089 0.000 0.988 306 D CA 1.800 55.877 54.000 0.129 0.000 0.864 306 D CB -0.024 40.855 40.800 0.131 0.000 0.928 306 D HN 0.458 nan 8.370 nan 0.000 0.469 307 S N 0.042 115.789 115.700 0.078 0.000 2.428 307 S HA -0.068 6.525 4.470 3.537 0.000 0.230 307 S C 2.192 176.836 174.600 0.074 0.000 1.014 307 S CA 0.409 58.649 58.200 0.067 0.000 0.957 307 S CB -0.307 62.928 63.200 0.057 0.000 0.784 307 S HN 0.064 nan 8.310 nan 0.000 0.499 308 V N 1.883 121.846 119.914 0.082 0.000 2.591 308 V HA 0.016 6.259 4.120 3.537 0.000 0.249 308 V C 2.366 178.493 176.094 0.056 0.000 1.053 308 V CA 1.295 63.656 62.300 0.103 0.000 1.068 308 V CB -0.715 31.182 31.823 0.124 0.000 0.689 308 V HN 0.476 nan 8.190 nan 0.000 0.462 309 I N -0.025 120.574 120.570 0.048 0.000 2.233 309 I HA -0.205 6.088 4.170 3.537 0.000 0.243 309 I C 2.571 178.690 176.117 0.003 0.000 1.093 309 I CA 1.542 62.844 61.300 0.005 0.000 1.380 309 I CB -0.405 37.612 38.000 0.028 0.000 1.067 309 I HN 0.228 nan 8.210 nan 0.000 0.413 310 K N 0.690 121.110 120.400 0.032 0.000 2.097 310 K HA -0.280 6.163 4.320 3.537 0.000 0.206 310 K C 2.218 178.845 176.600 0.044 0.000 1.049 310 K CA 1.613 57.921 56.287 0.036 0.000 0.933 310 K CB 0.024 32.552 32.500 0.046 0.000 0.717 310 K HN 0.110 nan 8.250 nan 0.000 0.442 311 Q N 0.795 120.632 119.800 0.060 0.000 2.046 311 Q HA -0.070 6.393 4.340 3.537 0.000 0.200 311 Q C 1.941 178.000 176.000 0.098 0.000 0.975 311 Q CA 1.776 57.634 55.803 0.092 0.000 0.836 311 Q CB -0.131 28.687 28.738 0.134 0.000 0.896 311 Q HN 0.323 nan 8.270 nan 0.000 0.428 312 M N -0.217 119.402 119.600 0.031 0.000 2.082 312 M HA -0.282 6.321 4.480 3.537 0.000 0.258 312 M C 2.220 178.529 176.300 0.015 0.000 1.069 312 M CA 2.020 57.290 55.300 -0.050 0.000 1.102 312 M CB -0.313 32.110 32.600 -0.296 0.000 1.336 312 M HN 0.288 nan 8.290 nan 0.000 0.404 313 Q N -0.152 119.652 119.800 0.007 0.000 2.050 313 Q HA -0.227 6.235 4.340 3.537 0.000 0.202 313 Q C 2.072 178.098 176.000 0.043 0.000 0.980 313 Q CA 1.455 57.271 55.803 0.021 0.000 0.840 313 Q CB -0.238 28.509 28.738 0.015 0.000 0.898 313 Q HN 0.253 nan 8.270 nan 0.000 0.424 314 K N 1.130 121.561 120.400 0.052 0.000 2.032 314 K HA -0.167 6.276 4.320 3.537 0.000 0.209 314 K C 1.290 177.931 176.600 0.068 0.000 1.048 314 K CA 1.753 58.075 56.287 0.057 0.000 0.927 314 K CB -0.052 32.485 32.500 0.061 0.000 0.712 314 K HN 0.185 nan 8.250 nan 0.000 0.441 315 D N -1.280 119.176 120.400 0.094 0.000 2.317 315 D HA -0.056 6.706 4.640 3.537 0.000 0.211 315 D C 1.367 177.729 176.300 0.103 0.000 0.966 315 D CA 1.575 55.640 54.000 0.109 0.000 0.876 315 D CB 0.322 41.222 40.800 0.167 0.000 0.927 315 D HN 0.523 nan 8.370 nan 0.000 0.519 316 T N -4.206 110.404 114.554 0.093 0.000 2.978 316 T HA 0.373 6.845 4.350 3.537 0.000 0.248 316 T C 1.714 176.453 174.700 0.065 0.000 1.018 316 T CA 0.771 62.923 62.100 0.087 0.000 1.026 316 T CB 1.097 70.022 68.868 0.096 0.000 1.032 316 T HN 0.151 nan 8.240 nan 0.000 0.485 317 G N 1.764 110.596 108.800 0.052 0.000 2.176 317 G HA2 -0.214 5.869 3.960 3.537 0.000 0.232 317 G HA3 -0.214 5.869 3.960 3.537 0.000 0.232 317 G C 0.100 175.023 174.900 0.038 0.000 0.986 317 G CA 0.076 45.200 45.100 0.039 0.000 0.643 317 G HN 0.575 nan 8.290 nan 0.000 0.522 318 M N 0.978 120.607 119.600 0.048 0.000 2.245 318 M HA 0.475 7.078 4.480 3.537 0.000 0.330 318 M C 1.250 177.571 176.300 0.035 0.000 1.098 318 M CA 0.891 56.221 55.300 0.051 0.000 1.172 318 M CB 0.568 33.199 32.600 0.052 0.000 1.467 318 M HN 0.278 nan 8.290 nan 0.000 0.454 319 G N 0.072 108.898 108.800 0.045 0.000 2.601 319 G HA2 0.585 6.667 3.960 3.537 0.000 0.317 319 G HA3 0.585 6.667 3.960 3.537 0.000 0.317 319 G C 0.532 175.443 174.900 0.018 0.000 1.246 319 G CA -0.230 44.903 45.100 0.055 0.000 1.012 319 G HN 0.837 nan 8.290 nan 0.000 0.494 320 A N -1.183 121.638 122.820 0.001 0.000 1.972 320 A HA 0.130 6.572 4.320 3.537 0.000 0.219 320 A C 0.355 177.659 177.584 -0.466 0.000 1.169 320 A CA 0.695 52.600 52.037 -0.220 0.000 0.635 320 A CB -0.297 18.611 19.000 -0.153 0.000 0.810 320 A HN 0.529 nan 8.150 nan 0.000 0.446 321 W N -0.714 120.689 121.300 0.172 0.000 2.957 321 W HA 0.479 7.262 4.660 3.538 0.000 0.336 321 W C -1.069 175.565 176.519 0.191 0.000 1.087 321 W CA -0.776 56.676 57.345 0.178 0.000 1.235 321 W CB 1.286 30.835 29.460 0.148 0.000 1.399 321 W HN 0.010 nan 8.180 nan 0.000 0.480 322 N N 4.160 123.086 118.700 0.376 0.000 2.531 322 N HA 0.344 7.207 4.740 3.537 0.000 0.268 322 N C -1.565 173.981 175.510 0.060 0.000 1.023 322 N CA -0.611 52.528 53.050 0.148 0.000 0.896 322 N CB 2.359 40.928 38.487 0.135 0.000 1.233 322 N HN 0.402 nan 8.380 nan 0.000 0.512 323 L N 2.998 124.197 121.223 -0.040 0.000 2.276 323 L HA 0.446 6.909 4.340 3.537 0.000 0.286 323 L C -1.339 175.298 176.870 -0.390 0.000 1.061 323 L CA -0.565 54.234 54.840 -0.068 0.000 0.807 323 L CB 0.343 42.465 42.059 0.106 0.000 1.177 323 L HN 0.403 nan 8.230 nan 0.000 0.429 324 Y N 4.343 124.547 120.300 -0.160 0.000 2.350 324 Y HA 0.767 7.439 4.550 3.537 0.000 0.338 324 Y C 0.162 175.834 175.900 -0.379 0.000 0.961 324 Y CA -0.350 57.551 58.100 -0.332 0.000 1.100 324 Y CB 2.025 40.270 38.460 -0.359 0.000 1.179 324 Y HN 0.714 nan 8.280 nan 0.000 0.454 325 A N 1.660 124.153 122.820 -0.545 0.000 2.529 325 A HA 1.011 7.454 4.320 3.537 0.000 0.296 325 A C -1.630 175.573 177.584 -0.635 0.000 1.205 325 A CA -0.312 51.417 52.037 -0.514 0.000 0.671 325 A CB 1.344 20.058 19.000 -0.476 0.000 1.301 325 A HN 1.073 nan 8.150 nan 0.000 0.450 326 A N -0.704 122.016 122.820 -0.168 0.000 2.610 326 A HA 0.726 7.168 4.320 3.537 0.000 0.291 326 A C -1.716 175.942 177.584 0.124 0.000 1.086 326 A CA -0.401 51.578 52.037 -0.097 0.000 0.677 326 A CB 0.716 19.573 19.000 -0.237 0.000 1.278 326 A HN 1.029 nan 8.150 nan 0.000 0.414 327 L N 0.450 121.629 121.223 -0.072 0.000 2.342 327 L HA 0.734 7.196 4.340 3.537 0.000 0.271 327 L C -1.299 175.482 176.870 -0.149 0.000 1.008 327 L CA -0.654 54.237 54.840 0.084 0.000 0.818 327 L CB 1.761 43.899 42.059 0.133 0.000 1.296 327 L HN 0.816 nan 8.230 nan 0.000 0.427 328 Y N 0.055 120.462 120.300 0.177 0.000 2.562 328 Y HA 0.800 7.474 4.550 3.540 0.000 0.345 328 Y C 0.563 176.536 175.900 0.121 0.000 1.045 328 Y CA -0.596 57.610 58.100 0.178 0.000 1.028 328 Y CB 2.523 41.096 38.460 0.188 0.000 1.297 328 Y HN 0.762 nan 8.280 nan 0.000 0.463 329 G N 0.251 109.205 108.800 0.256 0.000 2.278 329 G HA2 0.211 6.293 3.960 3.537 0.000 0.265 329 G HA3 0.211 6.293 3.960 3.537 0.000 0.265 329 G C -0.690 174.276 174.900 0.110 0.000 1.329 329 G CA -0.566 44.630 45.100 0.160 0.000 1.017 329 G HN 0.861 nan 8.290 nan 0.000 0.472 330 T N -1.822 112.780 114.554 0.081 0.000 2.788 330 T HA 0.457 6.930 4.350 3.537 0.000 0.287 330 T C 1.342 176.071 174.700 0.049 0.000 1.007 330 T CA 0.978 63.112 62.100 0.057 0.000 1.005 330 T CB 1.555 70.450 68.868 0.045 0.000 1.012 330 T HN 0.834 nan 8.240 nan 0.000 0.530 331 Q N 0.315 120.135 119.800 0.033 0.000 2.135 331 Q HA -0.133 6.329 4.340 3.537 0.000 0.204 331 Q C 1.961 177.977 176.000 0.027 0.000 0.981 331 Q CA 1.954 57.769 55.803 0.020 0.000 0.856 331 Q CB -0.525 28.219 28.738 0.011 0.000 0.902 331 Q HN 0.843 nan 8.270 nan 0.000 0.425 332 E N -0.133 120.086 120.200 0.032 0.000 2.072 332 E HA -0.166 6.306 4.350 3.537 0.000 0.191 332 E C 2.025 178.654 176.600 0.048 0.000 0.985 332 E CA 1.427 57.848 56.400 0.036 0.000 0.801 332 E CB -0.104 29.615 29.700 0.031 0.000 0.750 332 E HN 0.498 nan 8.360 nan 0.000 0.452 333 Q N -0.094 119.739 119.800 0.055 0.000 2.079 333 Q HA -0.096 6.367 4.340 3.537 0.000 0.200 333 Q C 2.261 178.312 176.000 0.085 0.000 0.974 333 Q CA 1.334 57.179 55.803 0.070 0.000 0.840 333 Q CB -0.070 28.716 28.738 0.080 0.000 0.898 333 Q HN 0.150 nan 8.270 nan 0.000 0.430 334 V N 1.704 121.664 119.914 0.077 0.000 2.343 334 V HA -0.264 5.978 4.120 3.537 0.000 0.247 334 V C 1.555 177.705 176.094 0.094 0.000 1.051 334 V CA 2.000 64.344 62.300 0.073 0.000 1.036 334 V CB -0.502 31.330 31.823 0.014 0.000 0.654 334 V HN 0.336 nan 8.190 nan 0.000 0.451 335 D N -0.102 120.344 120.400 0.076 0.000 2.097 335 D HA -0.132 6.631 4.640 3.537 0.000 0.195 335 D C 2.193 178.571 176.300 0.132 0.000 0.989 335 D CA 1.239 55.305 54.000 0.110 0.000 0.827 335 D CB -0.435 40.407 40.800 0.069 0.000 0.966 335 D HN 0.295 nan 8.370 nan 0.000 0.456 336 V N 1.602 121.570 119.914 0.091 0.000 2.343 336 V HA -0.223 6.019 4.120 3.537 0.000 0.247 336 V C 1.962 178.104 176.094 0.080 0.000 1.051 336 V CA 1.527 63.869 62.300 0.071 0.000 1.036 336 V CB -0.375 31.480 31.823 0.053 0.000 0.654 336 V HN 0.162 nan 8.190 nan 0.000 0.451 337 N N -1.160 117.607 118.700 0.111 0.000 2.270 337 N HA -0.168 6.695 4.740 3.537 0.000 0.181 337 N C 1.530 177.132 175.510 0.152 0.000 1.016 337 N CA 1.243 54.365 53.050 0.120 0.000 0.870 337 N CB -0.342 38.233 38.487 0.147 0.000 0.979 337 N HN 0.711 nan 8.380 nan 0.000 0.431 338 W N 2.148 123.415 121.300 -0.054 0.000 2.363 338 W HA -0.193 6.589 4.660 3.537 0.000 0.296 338 W C 1.868 178.328 176.519 -0.099 0.000 1.212 338 W CA 1.049 58.324 57.345 -0.117 0.000 1.260 338 W CB 0.102 29.492 29.460 -0.117 0.000 1.131 338 W HN -0.009 nan 8.180 nan 0.000 0.530 339 K N 1.016 121.398 120.400 -0.030 0.000 2.057 339 K HA -0.177 6.265 4.320 3.537 0.000 0.207 339 K C 1.807 178.298 176.600 -0.182 0.000 1.049 339 K CA 2.016 58.215 56.287 -0.147 0.000 0.931 339 K CB -1.011 31.465 32.500 -0.039 0.000 0.714 339 K HN 0.252 nan 8.250 nan 0.000 0.440 340 I N -0.127 120.378 120.570 -0.109 0.000 2.179 340 I HA -0.264 6.029 4.170 3.537 0.000 0.242 340 I C 2.048 178.057 176.117 -0.179 0.000 1.088 340 I CA 0.972 62.205 61.300 -0.111 0.000 1.357 340 I CB -0.212 37.758 38.000 -0.050 0.000 1.051 340 I HN -0.048 nan 8.210 nan 0.000 0.409 341 V N 0.939 120.733 119.914 -0.201 0.000 2.270 341 V HA -0.285 5.958 4.120 3.537 0.000 0.245 341 V C 2.733 178.621 176.094 -0.343 0.000 1.043 341 V CA 2.567 64.720 62.300 -0.246 0.000 1.014 341 V CB -1.221 30.487 31.823 -0.191 0.000 0.645 341 V HN 0.633 nan 8.190 nan 0.000 0.447 342 T N -2.191 112.012 114.554 -0.585 0.000 2.788 342 T HA -0.245 6.228 4.350 3.537 0.000 0.268 342 T C 1.564 176.100 174.700 -0.272 0.000 1.044 342 T CA 1.700 63.485 62.100 -0.525 0.000 1.139 342 T CB -0.498 67.879 68.868 -0.818 0.000 0.867 342 T HN 0.384 nan 8.240 nan 0.000 0.454 343 D N 1.026 121.272 120.400 -0.257 0.000 2.117 343 D HA -0.030 6.732 4.640 3.537 0.000 0.197 343 D C 2.325 178.521 176.300 -0.174 0.000 0.987 343 D CA 0.678 54.573 54.000 -0.176 0.000 0.829 343 D CB -0.518 40.193 40.800 -0.148 0.000 0.961 343 D HN 0.305 nan 8.370 nan 0.000 0.460 344 V N 0.537 120.297 119.914 -0.257 0.000 2.295 344 V HA -0.242 6.000 4.120 3.537 0.000 0.246 344 V C 2.118 178.011 176.094 -0.335 0.000 1.049 344 V CA 1.359 63.453 62.300 -0.343 0.000 1.024 344 V CB -0.525 30.978 31.823 -0.532 0.000 0.648 344 V HN 0.088 nan 8.190 nan 0.000 0.447 345 F N 0.344 120.250 119.950 -0.073 0.000 2.325 345 F HA -0.038 6.611 4.527 3.537 0.000 0.299 345 F C 2.276 178.049 175.800 -0.046 0.000 1.090 345 F CA 1.082 59.064 58.000 -0.029 0.000 1.392 345 F CB -0.539 38.433 39.000 -0.047 0.000 1.053 345 F HN 0.081 nan 8.300 nan 0.000 0.521 346 K N 0.253 120.686 120.400 0.055 0.000 2.103 346 K HA -0.167 6.276 4.320 3.537 0.000 0.204 346 K C 2.133 178.736 176.600 0.005 0.000 1.052 346 K CA 1.088 57.382 56.287 0.011 0.000 0.945 346 K CB -0.159 32.316 32.500 -0.041 0.000 0.722 346 K HN 0.133 nan 8.250 nan 0.000 0.443 347 K N 1.098 121.483 120.400 -0.024 0.000 2.148 347 K HA -0.125 6.318 4.320 3.537 0.000 0.204 347 K C 2.068 178.667 176.600 -0.002 0.000 1.050 347 K CA 0.667 56.937 56.287 -0.028 0.000 0.942 347 K CB 0.025 32.490 32.500 -0.058 0.000 0.724 347 K HN -0.020 nan 8.250 nan 0.000 0.446 348 L N 0.573 121.810 121.223 0.024 0.000 2.083 348 L HA 0.007 6.469 4.340 3.537 0.000 0.209 348 L C 1.218 178.141 176.870 0.089 0.000 1.083 348 L CA 2.281 57.162 54.840 0.068 0.000 0.752 348 L CB -0.487 41.669 42.059 0.162 0.000 0.899 348 L HN 0.533 nan 8.230 nan 0.000 0.433 349 G N -0.721 108.134 108.800 0.091 0.000 2.143 349 G HA2 -0.292 5.791 3.960 3.537 0.000 0.249 349 G HA3 -0.292 5.791 3.960 3.537 0.000 0.249 349 G C 0.374 175.334 174.900 0.100 0.000 0.981 349 G CA 0.593 45.737 45.100 0.073 0.000 0.665 349 G HN 0.465 nan 8.290 nan 0.000 0.528 350 K N -0.757 119.744 120.400 0.168 0.000 2.508 350 K HA 0.657 7.099 4.320 3.537 0.000 0.260 350 K C 0.100 176.791 176.600 0.152 0.000 0.949 350 K CA -0.328 56.084 56.287 0.208 0.000 0.834 350 K CB 2.368 35.077 32.500 0.347 0.000 1.365 350 K HN 1.594 nan 8.250 nan 0.000 0.437 351 G N 1.798 110.497 108.800 -0.168 0.000 3.338 351 G HA2 -0.166 5.916 3.960 3.537 0.000 0.686 351 G HA3 -0.166 5.916 3.960 3.537 0.000 0.686 351 G C -1.133 173.484 174.900 -0.471 0.000 1.053 351 G CA -0.846 43.776 45.100 -0.797 0.000 0.852 351 G HN 0.568 nan 8.290 nan 0.000 0.545 352 R N 2.896 123.120 120.500 -0.459 0.000 2.207 352 R HA 0.556 7.018 4.340 3.537 0.000 0.334 352 R C 0.459 176.601 176.300 -0.263 0.000 1.013 352 R CA -0.872 55.071 56.100 -0.260 0.000 0.858 352 R CB 0.332 30.526 30.300 -0.176 0.000 1.094 352 R HN 0.475 nan 8.270 nan 0.000 0.457 353 I N 4.974 125.438 120.570 -0.177 0.000 2.441 353 I HA 0.131 6.424 4.170 3.537 0.000 0.287 353 I C -0.326 175.799 176.117 0.014 0.000 1.049 353 I CA -0.536 60.715 61.300 -0.082 0.000 1.381 353 I CB 1.621 39.596 38.000 -0.041 0.000 1.409 353 I HN 0.308 nan 8.210 nan 0.000 0.523 354 V N 5.208 125.173 119.914 0.085 0.000 2.444 354 V HA 0.326 6.569 4.120 3.537 0.000 0.294 354 V C 0.314 176.502 176.094 0.157 0.000 1.022 354 V CA -0.628 61.715 62.300 0.072 0.000 0.850 354 V CB 1.751 33.601 31.823 0.045 0.000 0.992 354 V HN 0.878 nan 8.190 nan 0.000 0.426 355 T N 0.953 115.523 114.554 0.026 0.000 2.912 355 T HA 0.305 6.777 4.350 3.537 0.000 0.280 355 T C 0.877 175.410 174.700 -0.278 0.000 0.989 355 T CA -0.299 61.788 62.100 -0.023 0.000 0.995 355 T CB 1.671 70.500 68.868 -0.065 0.000 1.077 355 T HN 0.564 nan 8.240 nan 0.000 0.531 356 Q N 0.181 119.863 119.800 -0.197 0.000 2.124 356 Q HA -0.169 6.293 4.340 3.537 0.000 0.202 356 Q C 2.103 177.928 176.000 -0.291 0.000 0.977 356 Q CA 1.737 57.350 55.803 -0.316 0.000 0.850 356 Q CB -0.080 28.649 28.738 -0.015 0.000 0.901 356 Q HN 0.815 nan 8.270 nan 0.000 0.429 357 E N 0.402 120.489 120.200 -0.188 0.000 2.153 357 E HA -0.253 6.219 4.350 3.537 0.000 0.194 357 E C 1.543 178.052 176.600 -0.152 0.000 0.988 357 E CA 1.473 57.790 56.400 -0.138 0.000 0.811 357 E CB -0.273 29.368 29.700 -0.098 0.000 0.746 357 E HN 0.606 nan 8.360 nan 0.000 0.466 358 E N 1.070 121.156 120.200 -0.189 0.000 2.042 358 E HA 0.015 6.488 4.350 3.537 0.000 0.189 358 E C 2.140 178.603 176.600 -0.228 0.000 0.974 358 E CA 0.769 57.069 56.400 -0.167 0.000 0.806 358 E CB -0.072 29.551 29.700 -0.129 0.000 0.769 358 E HN 0.201 nan 8.360 nan 0.000 0.451 359 A N 0.968 123.533 122.820 -0.424 0.000 1.978 359 A HA 0.021 6.464 4.320 3.537 0.000 0.220 359 A C 1.676 179.076 177.584 -0.306 0.000 1.170 359 A CA 1.873 53.621 52.037 -0.482 0.000 0.636 359 A CB -1.294 16.979 19.000 -1.212 0.000 0.810 359 A HN 0.572 nan 8.150 nan 0.000 0.448 360 G N -0.721 107.898 108.800 -0.301 0.000 2.583 360 G HA2 -0.406 5.676 3.960 3.537 0.000 0.292 360 G HA3 -0.406 5.676 3.960 3.537 0.000 0.292 360 G C 0.365 175.235 174.900 -0.051 0.000 1.203 360 G CA 0.778 45.797 45.100 -0.135 0.000 0.987 360 G HN 0.585 nan 8.290 nan 0.000 0.554 361 D N 1.245 121.642 120.400 -0.005 0.000 2.395 361 D HA 0.396 7.158 4.640 3.537 0.000 0.226 361 D C 1.448 177.783 176.300 0.058 0.000 1.146 361 D CA 1.086 55.111 54.000 0.043 0.000 0.830 361 D CB -0.245 40.576 40.800 0.035 0.000 0.958 361 D HN 0.705 nan 8.370 nan 0.000 0.501 362 T N -2.412 112.175 114.554 0.054 0.000 2.899 362 T HA 0.365 6.837 4.350 3.537 0.000 0.284 362 T C 0.230 175.012 174.700 0.137 0.000 1.004 362 T CA -0.916 61.229 62.100 0.075 0.000 1.043 362 T CB 1.680 70.580 68.868 0.054 0.000 1.013 362 T HN -0.162 nan 8.240 nan 0.000 0.518 363 Q N 1.395 121.262 119.800 0.112 0.000 2.226 363 Q HA 0.345 6.807 4.340 3.537 0.000 0.256 363 Q C -1.715 174.380 176.000 0.158 0.000 0.962 363 Q CA -2.275 53.607 55.803 0.132 0.000 0.887 363 Q CB 1.742 30.496 28.738 0.027 0.000 1.282 363 Q HN 0.608 nan 8.270 nan 0.000 0.449 364 P HA 0.025 nan 4.420 nan 0.000 0.257 364 P C 0.922 178.250 177.300 0.048 0.000 1.281 364 P CA 0.192 63.438 63.100 0.244 0.000 0.826 364 P CB 0.021 31.914 31.700 0.322 0.000 1.237 365 F N 2.398 122.378 119.950 0.051 0.000 2.126 365 F HA -0.192 6.458 4.527 3.538 0.000 0.299 365 F C 2.422 178.187 175.800 -0.058 0.000 1.096 365 F CA 1.808 59.838 58.000 0.050 0.000 1.255 365 F CB -0.075 39.007 39.000 0.136 0.000 0.997 365 F HN -0.193 nan 8.300 nan 0.000 0.479 366 K N -0.357 120.212 120.400 0.281 0.000 2.009 366 K HA -0.294 6.148 4.320 3.537 0.000 0.210 366 K C 2.267 178.915 176.600 0.080 0.000 1.049 366 K CA 2.153 58.561 56.287 0.202 0.000 0.929 366 K CB -0.774 31.835 32.500 0.181 0.000 0.714 366 K HN 0.557 nan 8.250 nan 0.000 0.440 367 Y N 0.183 120.460 120.300 -0.039 0.000 2.293 367 Y HA -0.034 6.638 4.550 3.537 0.000 0.291 367 Y C 1.819 177.630 175.900 -0.147 0.000 1.137 367 Y CA 0.597 58.656 58.100 -0.069 0.000 1.202 367 Y CB -0.178 38.242 38.460 -0.067 0.000 0.990 367 Y HN -0.060 nan 8.280 nan 0.000 0.537 368 R N 1.251 121.167 120.500 -0.975 0.000 2.066 368 R HA -0.040 6.423 4.340 3.537 0.000 0.232 368 R C 2.624 178.629 176.300 -0.492 0.000 1.131 368 R CA 1.350 56.823 56.100 -1.044 0.000 0.955 368 R CB -1.351 28.058 30.300 -1.484 0.000 0.851 368 R HN 0.553 nan 8.270 nan 0.000 0.432 369 A N 1.287 123.883 122.820 -0.374 0.000 1.940 369 A HA -0.208 6.234 4.320 3.537 0.000 0.219 369 A C 2.173 179.824 177.584 0.111 0.000 1.176 369 A CA 1.387 53.395 52.037 -0.049 0.000 0.631 369 A CB -0.373 18.650 19.000 0.039 0.000 0.814 369 A HN 0.393 nan 8.150 nan 0.000 0.446 370 Q N -0.487 119.333 119.800 0.033 0.000 2.046 370 Q HA -0.043 6.419 4.340 3.537 0.000 0.200 370 Q C 2.107 178.131 176.000 0.039 0.000 0.975 370 Q CA 1.342 57.175 55.803 0.051 0.000 0.836 370 Q CB -0.313 28.475 28.738 0.084 0.000 0.896 370 Q HN 0.670 nan 8.270 nan 0.000 0.428 371 L N 0.084 121.338 121.223 0.052 0.000 2.083 371 L HA -0.175 6.288 4.340 3.537 0.000 0.209 371 L C 2.334 179.222 176.870 0.031 0.000 1.083 371 L CA 1.012 55.925 54.840 0.121 0.000 0.752 371 L CB -0.338 41.773 42.059 0.087 0.000 0.899 371 L HN 0.346 nan 8.230 nan 0.000 0.433 372 M N -0.820 118.799 119.600 0.031 0.000 2.630 372 M HA -0.065 6.537 4.480 3.537 0.000 0.254 372 M C 1.477 177.772 176.300 -0.009 0.000 1.092 372 M CA 1.076 56.460 55.300 0.140 0.000 1.087 372 M CB -0.138 32.622 32.600 0.266 0.000 1.453 372 M HN 0.296 nan 8.290 nan 0.000 0.509 373 S N -1.743 113.781 115.700 -0.294 0.000 2.730 373 S HA 0.417 7.009 4.470 3.537 0.000 0.244 373 S C 1.137 175.552 174.600 -0.309 0.000 1.022 373 S CA 0.058 57.903 58.200 -0.592 0.000 1.014 373 S CB 0.459 62.962 63.200 -1.162 0.000 0.963 373 S HN 0.584 nan 8.310 nan 0.000 0.540 374 G N 0.943 109.553 108.800 -0.316 0.000 2.176 374 G HA2 -0.216 5.867 3.960 3.537 0.000 0.252 374 G HA3 -0.216 5.867 3.960 3.537 0.000 0.252 374 G C -0.136 174.770 174.900 0.010 0.000 1.024 374 G CA 0.105 44.932 45.100 -0.455 0.000 0.755 374 G HN 0.743 nan 8.290 nan 0.000 0.507 375 V N 2.435 122.407 119.914 0.097 0.000 2.350 375 V HA 0.473 6.715 4.120 3.537 0.000 0.276 375 V C -1.273 174.878 176.094 0.094 0.000 1.028 375 V CA -1.618 60.670 62.300 -0.019 0.000 0.860 375 V CB 1.762 33.584 31.823 -0.001 0.000 0.990 375 V HN 0.246 nan 8.190 nan 0.000 0.453 376 P HA 0.276 nan 4.420 nan 0.000 0.272 376 P C -1.020 176.189 177.300 -0.152 0.000 1.223 376 P CA -0.100 62.811 63.100 -0.314 0.000 0.784 376 P CB 0.881 32.266 31.700 -0.525 0.000 0.923 377 N N 0.303 118.944 118.700 -0.098 0.000 3.265 377 N HA 0.189 7.051 4.740 3.537 0.000 0.235 377 N C -1.087 174.416 175.510 -0.010 0.000 1.343 377 N CA -0.806 52.227 53.050 -0.029 0.000 0.904 377 N CB 0.121 38.638 38.487 0.049 0.000 1.492 377 N HN 0.144 nan 8.380 nan 0.000 0.504 378 L N 0.520 121.723 121.223 -0.033 0.000 3.110 378 L HA 0.313 6.776 4.340 3.537 0.000 0.266 378 L C 1.580 178.468 176.870 0.029 0.000 1.257 378 L CA -0.238 54.598 54.840 -0.008 0.000 1.038 378 L CB 0.263 42.163 42.059 -0.264 0.000 1.395 378 L HN 0.721 nan 8.230 nan 0.000 0.566 379 Q N 1.507 121.264 119.800 -0.071 0.000 2.112 379 Q HA -0.279 6.183 4.340 3.537 0.000 0.206 379 Q C 1.848 177.697 176.000 -0.251 0.000 0.987 379 Q CA 2.020 57.719 55.803 -0.173 0.000 0.858 379 Q CB 0.050 28.521 28.738 -0.444 0.000 0.905 379 Q HN 0.497 nan 8.270 nan 0.000 0.420 380 E N -1.212 118.721 120.200 -0.445 0.000 2.401 380 E HA -0.146 6.327 4.350 3.537 0.000 0.199 380 E C 0.832 177.228 176.600 -0.340 0.000 1.023 380 E CA 0.334 56.498 56.400 -0.393 0.000 0.859 380 E CB -0.179 29.396 29.700 -0.209 0.000 0.780 380 E HN 0.490 nan 8.360 nan 0.000 0.523 381 F N -0.469 119.246 119.950 -0.393 0.000 2.722 381 F HA 0.003 6.652 4.527 3.537 0.000 0.298 381 F C 2.126 177.606 175.800 -0.533 0.000 1.175 381 F CA 0.507 58.152 58.000 -0.592 0.000 1.462 381 F CB 0.056 38.816 39.000 -0.400 0.000 1.111 381 F HN 0.124 nan 8.300 nan 0.000 0.592 382 G N 0.090 108.741 108.800 -0.248 0.000 2.470 382 G HA2 -0.194 5.888 3.960 3.537 0.000 0.220 382 G HA3 -0.194 5.888 3.960 3.537 0.000 0.220 382 G C 1.683 176.467 174.900 -0.193 0.000 1.121 382 G CA 0.376 45.322 45.100 -0.256 0.000 0.766 382 G HN 0.356 nan 8.290 nan 0.000 0.553 383 L N -0.499 120.510 121.223 -0.356 0.000 2.127 383 L HA -0.114 6.349 4.340 3.537 0.000 0.211 383 L C 2.236 179.059 176.870 -0.078 0.000 1.089 383 L CA 0.718 55.361 54.840 -0.328 0.000 0.757 383 L CB -0.424 41.281 42.059 -0.590 0.000 0.899 383 L HN 0.197 nan 8.230 nan 0.000 0.434 384 Y N -0.551 119.635 120.300 -0.191 0.000 2.578 384 Y HA -0.038 6.634 4.550 3.537 0.000 0.297 384 Y C 1.941 177.769 175.900 -0.120 0.000 1.176 384 Y CA 0.020 58.011 58.100 -0.181 0.000 1.315 384 Y CB -0.876 37.466 38.460 -0.196 0.000 1.031 384 Y HN 0.286 nan 8.280 nan 0.000 0.524 385 N N -1.490 117.240 118.700 0.049 0.000 2.254 385 N HA -0.102 6.760 4.740 3.537 0.000 0.190 385 N C 1.710 177.251 175.510 0.052 0.000 1.107 385 N CA -0.004 53.051 53.050 0.009 0.000 0.869 385 N CB -0.451 38.007 38.487 -0.048 0.000 0.983 385 N HN 0.479 nan 8.380 nan 0.000 0.487 386 W N 2.019 123.280 121.300 -0.066 0.000 2.318 386 W HA -0.158 6.625 4.660 3.538 0.000 0.313 386 W C 0.990 177.491 176.519 -0.029 0.000 1.221 386 W CA 1.298 58.617 57.345 -0.044 0.000 1.266 386 W CB 0.177 29.600 29.460 -0.060 0.000 1.150 386 W HN 0.056 nan 8.180 nan 0.000 0.496 387 R N -1.048 119.379 120.500 -0.122 0.000 2.453 387 R HA 0.197 6.659 4.340 3.537 0.000 0.233 387 R C 0.970 177.187 176.300 -0.139 0.000 0.895 387 R CA 0.493 56.469 56.100 -0.207 0.000 1.028 387 R CB 0.642 30.882 30.300 -0.101 0.000 1.255 387 R HN 0.204 nan 8.270 nan 0.000 0.571 388 G N -0.021 108.719 108.800 -0.100 0.000 2.641 388 G HA2 -0.176 5.906 3.960 3.537 0.000 0.254 388 G HA3 -0.176 5.906 3.960 3.537 0.000 0.254 388 G C 0.651 175.453 174.900 -0.162 0.000 1.315 388 G CA -0.017 45.016 45.100 -0.111 0.000 0.907 388 G HN 0.607 nan 8.290 nan 0.000 0.572 389 G N -2.134 106.575 108.800 -0.152 0.000 2.179 389 G HA2 0.348 6.430 3.960 3.537 0.000 0.260 389 G HA3 0.348 6.430 3.960 3.537 0.000 0.260 389 G C 1.861 176.618 174.900 -0.238 0.000 0.977 389 G CA 0.984 45.981 45.100 -0.171 0.000 0.641 389 G HN 3.129 nan 8.290 nan 0.000 0.533 390 G N -1.176 107.450 108.800 -0.290 0.000 2.143 390 G HA2 0.252 6.334 3.960 3.537 0.000 0.249 390 G HA3 0.252 6.334 3.960 3.537 0.000 0.249 390 G C 1.017 175.600 174.900 -0.528 0.000 0.981 390 G CA 0.990 45.876 45.100 -0.358 0.000 0.665 390 G HN 2.144 nan 8.290 nan 0.000 0.528 391 G N -0.577 107.762 108.800 -0.768 0.000 2.335 391 G HA2 0.675 6.757 3.960 3.537 0.000 0.314 391 G HA3 0.675 6.757 3.960 3.537 0.000 0.314 391 G C -0.321 174.008 174.900 -0.950 0.000 1.129 391 G CA 0.616 44.887 45.100 -1.381 0.000 0.912 391 G HN 1.315 nan 8.290 nan 0.000 0.443 392 S N 2.104 117.446 115.700 -0.598 0.000 2.584 392 S HA 0.613 7.205 4.470 3.537 0.000 0.280 392 S C -0.743 173.581 174.600 -0.459 0.000 1.162 392 S CA -0.673 57.215 58.200 -0.521 0.000 0.951 392 S CB 0.743 63.445 63.200 -0.830 0.000 1.108 392 S HN 0.535 nan 8.310 nan 0.000 0.464 393 M N 3.724 123.085 119.600 -0.398 0.000 2.327 393 M HA 0.452 7.054 4.480 3.537 0.000 0.298 393 M C -1.674 174.437 176.300 -0.315 0.000 1.065 393 M CA -0.284 54.772 55.300 -0.406 0.000 0.916 393 M CB 2.097 34.446 32.600 -0.418 0.000 1.630 393 M HN 0.657 nan 8.290 nan 0.000 0.442 394 W N 2.982 124.218 121.300 -0.107 0.000 2.335 394 W HA 0.364 7.148 4.660 3.539 0.000 0.306 394 W C -0.633 176.094 176.519 0.348 0.000 1.216 394 W CA -0.315 57.038 57.345 0.013 0.000 1.237 394 W CB 0.495 29.745 29.460 -0.351 0.000 1.243 394 W HN 0.378 nan 8.180 nan 0.000 0.493 395 F N 4.446 124.628 119.950 0.386 0.000 2.347 395 F HA 0.635 7.285 4.527 3.539 0.000 0.366 395 F C -0.176 175.669 175.800 0.076 0.000 1.107 395 F CA -1.395 56.658 58.000 0.088 0.000 1.058 395 F CB 0.612 39.440 39.000 -0.287 0.000 1.236 395 F HN 0.331 nan 8.300 nan 0.000 0.456 396 A N 8.712 131.374 122.820 -0.264 0.000 2.978 396 A HA 0.503 6.946 4.320 3.537 0.000 0.341 396 A C -2.858 174.581 177.584 -0.242 0.000 1.105 396 A CA -1.493 50.475 52.037 -0.115 0.000 0.819 396 A CB -0.399 18.847 19.000 0.411 0.000 1.080 396 A HN 0.461 nan 8.150 nan 0.000 0.476 397 P HA 0.234 nan 4.420 nan 0.000 0.271 397 P C -0.038 177.210 177.300 -0.087 0.000 1.218 397 P CA 0.146 63.039 63.100 -0.343 0.000 0.780 397 P CB 1.413 32.860 31.700 -0.422 0.000 0.901 398 V N 1.940 121.842 119.914 -0.020 0.000 2.644 398 V HA 0.468 6.710 4.120 3.537 0.000 0.295 398 V C 0.768 176.862 176.094 -0.001 0.000 1.053 398 V CA 0.236 62.510 62.300 -0.045 0.000 0.987 398 V CB 1.174 32.982 31.823 -0.025 0.000 1.006 398 V HN 0.773 nan 8.190 nan 0.000 0.472 399 S N 2.361 118.056 115.700 -0.009 0.000 2.579 399 S HA 0.450 7.042 4.470 3.537 0.000 0.272 399 S C -0.780 173.811 174.600 -0.014 0.000 1.141 399 S CA -0.784 57.407 58.200 -0.016 0.000 0.843 399 S CB 1.786 64.978 63.200 -0.012 0.000 1.122 399 S HN 0.784 nan 8.310 nan 0.000 0.468 400 E N 1.268 121.462 120.200 -0.010 0.000 2.398 400 E HA 0.334 6.806 4.350 3.537 0.000 0.263 400 E C -0.049 176.508 176.600 -0.071 0.000 1.046 400 E CA 0.011 56.397 56.400 -0.024 0.000 0.908 400 E CB 0.709 30.401 29.700 -0.012 0.000 0.963 400 E HN 0.651 nan 8.360 nan 0.000 0.431 401 A N 4.776 127.550 122.820 -0.077 0.000 3.063 401 A HA 0.077 6.520 4.320 3.537 0.000 0.263 401 A C 0.205 177.705 177.584 -0.141 0.000 1.736 401 A CA 0.154 52.118 52.037 -0.122 0.000 1.408 401 A CB -0.374 18.573 19.000 -0.089 0.000 1.108 401 A HN 0.449 nan 8.150 nan 0.000 0.621 402 R N 0.568 120.972 120.500 -0.161 0.000 2.513 402 R HA 0.442 6.905 4.340 3.537 0.000 0.301 402 R C 1.228 177.403 176.300 -0.209 0.000 0.968 402 R CA 0.093 56.103 56.100 -0.150 0.000 0.872 402 R CB 1.108 31.352 30.300 -0.093 0.000 1.177 402 R HN 0.407 nan 8.270 nan 0.000 0.444 403 G N 1.577 110.245 108.800 -0.219 0.000 2.556 403 G HA2 -0.389 5.693 3.960 3.537 0.000 0.220 403 G HA3 -0.389 5.693 3.960 3.537 0.000 0.220 403 G C 1.236 176.008 174.900 -0.214 0.000 1.156 403 G CA 1.416 46.360 45.100 -0.259 0.000 0.766 403 G HN 0.721 nan 8.290 nan 0.000 0.583 404 S N 0.264 115.881 115.700 -0.138 0.000 2.382 404 S HA -0.066 6.526 4.470 3.537 0.000 0.228 404 S C 2.013 176.566 174.600 -0.079 0.000 1.027 404 S CA 1.632 59.777 58.200 -0.092 0.000 0.991 404 S CB -0.218 62.948 63.200 -0.057 0.000 0.823 404 S HN 0.360 nan 8.310 nan 0.000 0.469 405 E N 1.040 121.188 120.200 -0.086 0.000 2.051 405 E HA -0.065 6.408 4.350 3.537 0.000 0.192 405 E C 2.438 178.976 176.600 -0.103 0.000 0.991 405 E CA 1.192 57.559 56.400 -0.055 0.000 0.799 405 E CB -0.915 28.756 29.700 -0.049 0.000 0.748 405 E HN 0.621 nan 8.360 nan 0.000 0.449 406 C N 1.171 120.333 119.300 -0.231 0.000 2.425 406 C HA -0.095 6.487 4.460 3.537 0.000 0.277 406 C C 2.692 177.594 174.990 -0.146 0.000 1.280 406 C CA 0.799 59.599 59.018 -0.363 0.000 1.744 406 C CB -0.658 26.463 27.740 -1.031 0.000 1.989 406 C HN 0.443 nan 8.230 nan 0.000 0.491 407 K N 1.462 121.774 120.400 -0.147 0.000 2.057 407 K HA -0.187 6.255 4.320 3.537 0.000 0.206 407 K C 2.202 178.823 176.600 0.035 0.000 1.050 407 K CA 1.425 57.693 56.287 -0.032 0.000 0.935 407 K CB -0.271 32.195 32.500 -0.056 0.000 0.715 407 K HN 0.473 nan 8.250 nan 0.000 0.439 408 K N 0.662 121.073 120.400 0.018 0.000 2.026 408 K HA -0.190 6.252 4.320 3.537 0.000 0.208 408 K C 2.092 178.728 176.600 0.061 0.000 1.048 408 K CA 1.665 57.973 56.287 0.035 0.000 0.929 408 K CB 0.015 32.544 32.500 0.049 0.000 0.713 408 K HN 0.266 nan 8.250 nan 0.000 0.439 409 Q N -0.200 119.667 119.800 0.112 0.000 2.079 409 Q HA -0.124 6.339 4.340 3.537 0.000 0.200 409 Q C 2.194 178.494 176.000 0.500 0.000 0.974 409 Q CA 1.331 57.301 55.803 0.278 0.000 0.840 409 Q CB -0.146 28.890 28.738 0.497 0.000 0.898 409 Q HN 0.437 nan 8.270 nan 0.000 0.430 410 A N 1.363 124.446 122.820 0.437 0.000 1.908 410 A HA -0.148 6.294 4.320 3.537 0.000 0.218 410 A C 2.327 179.858 177.584 -0.089 0.000 1.181 410 A CA 1.729 53.914 52.037 0.246 0.000 0.627 410 A CB -0.742 18.442 19.000 0.307 0.000 0.818 410 A HN 0.398 nan 8.150 nan 0.000 0.445 411 A N -0.918 121.897 122.820 -0.008 0.000 1.930 411 A HA -0.080 6.363 4.320 3.537 0.000 0.217 411 A C 2.273 179.828 177.584 -0.048 0.000 1.175 411 A CA 1.875 53.873 52.037 -0.064 0.000 0.627 411 A CB -0.484 18.503 19.000 -0.023 0.000 0.815 411 A HN 0.612 nan 8.150 nan 0.000 0.443 412 M N -0.399 119.210 119.600 0.015 0.000 2.099 412 M HA -0.060 6.542 4.480 3.537 0.000 0.262 412 M C 2.287 178.680 176.300 0.154 0.000 1.067 412 M CA 1.651 56.964 55.300 0.021 0.000 1.124 412 M CB -0.219 32.293 32.600 -0.148 0.000 1.353 412 M HN 0.396 nan 8.290 nan 0.000 0.410 413 A N 0.405 123.431 122.820 0.343 0.000 1.883 413 A HA -0.243 6.200 4.320 3.537 0.000 0.217 413 A C 2.149 179.787 177.584 0.090 0.000 1.186 413 A CA 2.180 54.413 52.037 0.326 0.000 0.624 413 A CB -0.857 18.414 19.000 0.451 0.000 0.822 413 A HN 0.604 nan 8.150 nan 0.000 0.444 414 K N -0.524 119.804 120.400 -0.119 0.000 2.063 414 K HA -0.211 6.232 4.320 3.537 0.000 0.208 414 K C 2.374 178.698 176.600 -0.461 0.000 1.048 414 K CA 1.717 57.791 56.287 -0.355 0.000 0.928 414 K CB -0.203 31.983 32.500 -0.523 0.000 0.713 414 K HN 0.469 nan 8.250 nan 0.000 0.442 415 R N 0.269 120.622 120.500 -0.245 0.000 2.066 415 R HA -0.094 6.369 4.340 3.537 0.000 0.232 415 R C 2.068 178.344 176.300 -0.040 0.000 1.131 415 R CA 1.430 57.436 56.100 -0.157 0.000 0.955 415 R CB -0.150 30.108 30.300 -0.070 0.000 0.851 415 R HN 0.073 nan 8.270 nan 0.000 0.432 416 V N 1.555 121.482 119.914 0.022 0.000 2.343 416 V HA -0.246 5.996 4.120 3.537 0.000 0.247 416 V C 2.388 178.597 176.094 0.192 0.000 1.051 416 V CA 1.602 63.969 62.300 0.113 0.000 1.036 416 V CB -0.394 31.489 31.823 0.101 0.000 0.654 416 V HN 0.324 nan 8.190 nan 0.000 0.451 417 L N -0.849 120.448 121.223 0.123 0.000 2.046 417 L HA -0.199 6.264 4.340 3.537 0.000 0.208 417 L C 2.512 179.563 176.870 0.301 0.000 1.077 417 L CA 1.867 56.830 54.840 0.205 0.000 0.747 417 L CB -0.770 41.408 42.059 0.198 0.000 0.896 417 L HN 0.433 nan 8.230 nan 0.000 0.432 418 H N -0.557 118.543 119.070 0.051 0.000 2.387 418 H HA -0.202 6.476 4.556 3.538 0.000 0.299 418 H C 2.235 177.587 175.328 0.040 0.000 1.090 418 H CA 1.080 57.123 56.048 -0.008 0.000 1.332 418 H CB 0.140 29.724 29.762 -0.297 0.000 1.386 418 H HN 0.249 nan 8.280 nan 0.000 0.516 419 K N 0.968 121.426 120.400 0.097 0.000 2.160 419 K HA -0.198 6.245 4.320 3.537 0.000 0.206 419 K C 0.581 177.000 176.600 -0.302 0.000 1.047 419 K CA 1.504 57.709 56.287 -0.138 0.000 0.930 419 K CB 0.011 32.346 32.500 -0.275 0.000 0.720 419 K HN 0.332 nan 8.250 nan 0.000 0.450 420 Y N -0.372 119.984 120.300 0.093 0.000 2.524 420 Y HA 0.256 6.929 4.550 3.538 0.000 0.266 420 Y C 1.125 177.082 175.900 0.095 0.000 1.180 420 Y CA 0.210 58.354 58.100 0.072 0.000 1.244 420 Y CB 0.948 39.432 38.460 0.040 0.000 1.125 420 Y HN 0.315 nan 8.280 nan 0.000 0.524 421 G N 0.550 109.476 108.800 0.211 0.000 2.153 421 G HA2 -0.272 5.811 3.960 3.537 0.000 0.252 421 G HA3 -0.272 5.811 3.960 3.537 0.000 0.252 421 G C -0.101 174.936 174.900 0.229 0.000 0.994 421 G CA 0.301 45.517 45.100 0.195 0.000 0.698 421 G HN 0.302 nan 8.290 nan 0.000 0.521 422 L N -0.509 120.884 121.223 0.285 0.000 2.304 422 L HA 0.656 7.119 4.340 3.537 0.000 0.268 422 L C -0.192 176.902 176.870 0.373 0.000 1.010 422 L CA -1.299 53.715 54.840 0.290 0.000 0.813 422 L CB 1.047 43.252 42.059 0.244 0.000 1.315 422 L HN -0.084 nan 8.230 nan 0.000 0.445 423 D N -0.706 119.907 120.400 0.354 0.000 2.268 423 D HA 0.182 6.944 4.640 3.537 0.000 0.249 423 D C -1.041 175.443 176.300 0.305 0.000 1.008 423 D CA -0.151 54.077 54.000 0.380 0.000 0.939 423 D CB 1.668 42.690 40.800 0.369 0.000 1.170 423 D HN 0.317 nan 8.370 nan 0.000 0.468 424 Y N 1.252 121.661 120.300 0.182 0.000 2.504 424 Y HA 0.343 7.015 4.550 3.537 0.000 0.351 424 Y C -0.916 175.034 175.900 0.084 0.000 0.988 424 Y CA -0.259 57.908 58.100 0.111 0.000 1.239 424 Y CB 0.331 38.834 38.460 0.071 0.000 1.128 424 Y HN -0.036 nan 8.280 nan 0.000 0.525 425 V N 6.823 126.586 119.914 -0.251 0.000 2.349 425 V HA 0.835 7.077 4.120 3.537 0.000 0.284 425 V C -0.298 175.746 176.094 -0.084 0.000 1.014 425 V CA -0.179 62.006 62.300 -0.191 0.000 0.826 425 V CB 0.483 32.207 31.823 -0.166 0.000 1.009 425 V HN 0.900 nan 8.190 nan 0.000 0.431 426 A N 4.709 127.471 122.820 -0.097 0.000 2.588 426 A HA 1.024 7.466 4.320 3.537 0.000 0.290 426 A C -1.042 176.486 177.584 -0.093 0.000 1.136 426 A CA -0.624 51.412 52.037 -0.002 0.000 0.681 426 A CB 2.205 20.948 19.000 -0.428 0.000 1.282 426 A HN 0.887 nan 8.150 nan 0.000 0.421 427 E N -0.413 119.575 120.200 -0.354 0.000 2.390 427 E HA 0.627 7.099 4.350 3.537 0.000 0.280 427 E C -1.984 174.392 176.600 -0.374 0.000 0.992 427 E CA -0.683 55.465 56.400 -0.419 0.000 0.790 427 E CB 1.250 30.352 29.700 -0.995 0.000 1.248 427 E HN 0.345 nan 8.360 nan 0.000 0.447 428 F N 1.800 121.696 119.950 -0.089 0.000 2.404 428 F HA 0.435 7.084 4.527 3.537 0.000 0.354 428 F C 0.087 175.834 175.800 -0.090 0.000 1.122 428 F CA -0.720 57.219 58.000 -0.101 0.000 1.080 428 F CB 1.170 40.046 39.000 -0.208 0.000 1.131 428 F HN 0.327 nan 8.300 nan 0.000 0.471 429 I N 4.989 125.610 120.570 0.085 0.000 2.301 429 I HA 0.222 6.514 4.170 3.537 0.000 0.292 429 I C -0.660 175.493 176.117 0.061 0.000 1.046 429 I CA -0.679 60.645 61.300 0.039 0.000 1.282 429 I CB 0.753 38.709 38.000 -0.073 0.000 1.409 429 I HN 0.184 nan 8.210 nan 0.000 0.484 430 V N 6.587 126.531 119.914 0.049 0.000 2.385 430 V HA 0.539 6.782 4.120 3.537 0.000 0.269 430 V C 0.665 176.771 176.094 0.020 0.000 1.043 430 V CA -0.382 61.937 62.300 0.031 0.000 0.906 430 V CB 0.902 32.734 31.823 0.015 0.000 0.995 430 V HN 0.845 nan 8.190 nan 0.000 0.467 431 A N 6.581 129.412 122.820 0.018 0.000 2.263 431 A HA 0.810 7.252 4.320 3.537 0.000 0.318 431 A C -1.748 175.839 177.584 0.005 0.000 1.111 431 A CA -1.701 50.343 52.037 0.012 0.000 0.901 431 A CB 0.759 19.770 19.000 0.019 0.000 1.280 431 A HN 0.592 nan 8.150 nan 0.000 0.503 432 P HA -0.077 nan 4.420 nan 0.000 0.215 432 P C 1.030 178.323 177.300 -0.011 0.000 1.153 432 P CA 1.555 64.655 63.100 0.001 0.000 0.853 432 P CB 0.159 31.863 31.700 0.006 0.000 0.788 433 R N -1.643 118.851 120.500 -0.009 0.000 2.369 433 R HA 0.157 6.619 4.340 3.537 0.000 0.210 433 R C 0.305 176.592 176.300 -0.021 0.000 0.881 433 R CA 0.185 56.275 56.100 -0.016 0.000 1.031 433 R CB 0.086 30.381 30.300 -0.008 0.000 1.184 433 R HN 0.353 nan 8.270 nan 0.000 0.581 434 D N -0.544 119.847 120.400 -0.016 0.000 2.374 434 D HA 0.339 7.101 4.640 3.537 0.000 0.239 434 D C -0.299 175.995 176.300 -0.009 0.000 0.991 434 D CA -0.641 53.344 54.000 -0.024 0.000 0.960 434 D CB 1.185 41.958 40.800 -0.044 0.000 1.284 434 D HN -0.319 nan 8.370 nan 0.000 0.512 435 M N 1.051 120.646 119.600 -0.008 0.000 2.326 435 M HA 0.246 6.848 4.480 3.537 0.000 0.306 435 M C -1.377 174.944 176.300 0.035 0.000 1.054 435 M CA -0.564 54.775 55.300 0.066 0.000 0.922 435 M CB 1.409 34.090 32.600 0.135 0.000 1.632 435 M HN 0.568 nan 8.290 nan 0.000 0.436 436 H N 1.271 120.303 119.070 -0.063 0.000 2.741 436 H HA 0.205 6.883 4.556 3.536 0.000 0.282 436 H C -0.290 175.023 175.328 -0.026 0.000 1.122 436 H CA 0.181 56.131 56.048 -0.164 0.000 1.293 436 H CB 0.066 29.617 29.762 -0.352 0.000 1.415 436 H HN 0.505 nan 8.280 nan 0.000 0.472 437 H N 4.686 123.734 119.070 -0.037 0.000 3.008 437 H HA 0.241 6.919 4.556 3.537 0.000 0.268 437 H C -0.681 174.551 175.328 -0.161 0.000 1.323 437 H CA -0.805 55.130 56.048 -0.189 0.000 1.401 437 H CB 0.073 29.770 29.762 -0.107 0.000 1.556 437 H HN 0.322 nan 8.280 nan 0.000 0.502 438 V N 7.978 127.902 119.914 0.016 0.000 2.408 438 V HA 0.135 6.378 4.120 3.537 0.000 0.267 438 V C 0.377 176.593 176.094 0.203 0.000 1.047 438 V CA -0.234 62.129 62.300 0.106 0.000 0.937 438 V CB 0.618 32.494 31.823 0.088 0.000 0.999 438 V HN 0.647 nan 8.190 nan 0.000 0.472 439 I N 3.903 124.627 120.570 0.256 0.000 2.389 439 I HA 0.350 6.643 4.170 3.537 0.000 0.288 439 I C -0.375 175.984 176.117 0.404 0.000 0.999 439 I CA -0.425 61.027 61.300 0.254 0.000 1.129 439 I CB 1.825 39.893 38.000 0.114 0.000 1.288 439 I HN 0.457 nan 8.210 nan 0.000 0.444 440 D N 6.600 127.201 120.400 0.335 0.000 2.380 440 D HA 0.173 6.936 4.640 3.537 0.000 0.230 440 D C -0.451 175.820 176.300 -0.048 0.000 1.154 440 D CA -0.192 53.793 54.000 -0.025 0.000 0.859 440 D CB 1.276 41.917 40.800 -0.264 0.000 1.045 440 D HN 0.094 nan 8.370 nan 0.000 0.495 441 V N 6.082 125.980 119.914 -0.026 0.000 2.370 441 V HA 0.156 6.399 4.120 3.537 0.000 0.257 441 V C 0.551 176.677 176.094 0.054 0.000 1.064 441 V CA -0.303 62.033 62.300 0.061 0.000 0.975 441 V CB -0.047 31.859 31.823 0.138 0.000 1.067 441 V HN 0.384 nan 8.190 nan 0.000 0.485 442 L N 7.036 128.308 121.223 0.082 0.000 2.309 442 L HA 0.721 7.184 4.340 3.537 0.000 0.282 442 L C -0.451 176.533 176.870 0.191 0.000 1.036 442 L CA -0.596 54.278 54.840 0.057 0.000 0.806 442 L CB 1.333 43.429 42.059 0.061 0.000 1.220 442 L HN 0.742 nan 8.230 nan 0.000 0.429 443 Y N -0.380 119.894 120.300 -0.043 0.000 2.656 443 Y HA 0.411 7.083 4.550 3.537 0.000 0.334 443 Y C -1.210 174.656 175.900 -0.056 0.000 1.179 443 Y CA -1.790 56.294 58.100 -0.027 0.000 1.050 443 Y CB 0.936 39.383 38.460 -0.023 0.000 1.308 443 Y HN 0.432 nan 8.280 nan 0.000 0.456 444 D N 1.842 122.234 120.400 -0.013 0.000 2.374 444 D HA 0.148 6.911 4.640 3.537 0.000 0.240 444 D C 0.863 177.147 176.300 -0.026 0.000 1.229 444 D CA -0.065 53.877 54.000 -0.097 0.000 0.895 444 D CB 0.765 41.546 40.800 -0.031 0.000 1.046 444 D HN 0.766 nan 8.370 nan 0.000 0.498 445 R N 2.010 122.373 120.500 -0.228 0.000 2.328 445 R HA -0.084 6.378 4.340 3.537 0.000 0.207 445 R C 1.420 177.726 176.300 0.010 0.000 1.056 445 R CA 1.362 57.442 56.100 -0.034 0.000 1.016 445 R CB 0.095 30.282 30.300 -0.188 0.000 0.872 445 R HN 0.456 nan 8.270 nan 0.000 0.471 446 T N -2.473 112.064 114.554 -0.029 0.000 3.129 446 T HA 0.017 6.490 4.350 3.537 0.000 0.251 446 T C 0.561 175.265 174.700 0.006 0.000 1.117 446 T CA -0.221 61.869 62.100 -0.017 0.000 1.034 446 T CB -0.065 68.780 68.868 -0.037 0.000 0.968 446 T HN -0.016 nan 8.240 nan 0.000 0.526 447 N N 2.166 120.884 118.700 0.030 0.000 2.485 447 N HA 0.303 7.165 4.740 3.537 0.000 0.243 447 N C -2.271 173.271 175.510 0.054 0.000 0.987 447 N CA -2.326 50.746 53.050 0.037 0.000 0.940 447 N CB 2.016 40.528 38.487 0.042 0.000 1.122 447 N HN -0.046 nan 8.380 nan 0.000 0.509 448 P HA -0.174 nan 4.420 nan 0.000 0.215 448 P C 1.122 178.440 177.300 0.030 0.000 1.157 448 P CA 1.050 64.168 63.100 0.031 0.000 0.874 448 P CB 0.417 32.128 31.700 0.018 0.000 0.790 449 E N 0.247 120.465 120.200 0.030 0.000 2.051 449 E HA -0.247 6.225 4.350 3.537 0.000 0.192 449 E C 2.037 178.661 176.600 0.040 0.000 0.991 449 E CA 1.458 57.878 56.400 0.032 0.000 0.799 449 E CB -0.321 29.397 29.700 0.030 0.000 0.748 449 E HN 0.266 nan 8.360 nan 0.000 0.449 450 E N -0.564 119.669 120.200 0.055 0.000 2.106 450 E HA -0.114 6.359 4.350 3.537 0.000 0.192 450 E C 1.891 178.505 176.600 0.023 0.000 0.984 450 E CA 1.607 58.051 56.400 0.074 0.000 0.806 450 E CB 0.028 29.798 29.700 0.117 0.000 0.750 450 E HN 0.155 nan 8.360 nan 0.000 0.458 451 T N 0.801 115.380 114.554 0.043 0.000 2.746 451 T HA -0.134 6.338 4.350 3.537 0.000 0.267 451 T C 1.617 176.219 174.700 -0.162 0.000 1.039 451 T CA 1.479 63.539 62.100 -0.065 0.000 1.142 451 T CB -0.101 68.814 68.868 0.080 0.000 0.866 451 T HN 0.179 nan 8.240 nan 0.000 0.444 452 K N 0.668 121.031 120.400 -0.061 0.000 2.097 452 K HA 0.003 6.445 4.320 3.537 0.000 0.206 452 K C 2.604 179.168 176.600 -0.061 0.000 1.049 452 K CA 0.909 57.167 56.287 -0.048 0.000 0.933 452 K CB -0.105 32.395 32.500 -0.001 0.000 0.717 452 K HN 0.221 nan 8.250 nan 0.000 0.442 453 R N 0.381 120.863 120.500 -0.030 0.000 2.092 453 R HA -0.064 6.399 4.340 3.537 0.000 0.231 453 R C 2.367 178.556 176.300 -0.185 0.000 1.119 453 R CA 1.195 57.313 56.100 0.031 0.000 0.970 453 R CB -0.267 30.125 30.300 0.153 0.000 0.864 453 R HN 0.179 nan 8.270 nan 0.000 0.440 454 A N 1.002 123.642 122.820 -0.299 0.000 1.930 454 A HA -0.204 6.238 4.320 3.537 0.000 0.217 454 A C 1.727 179.092 177.584 -0.365 0.000 1.175 454 A CA 1.756 53.515 52.037 -0.463 0.000 0.627 454 A CB -0.383 17.938 19.000 -1.133 0.000 0.815 454 A HN 0.230 nan 8.150 nan 0.000 0.443 455 D N -0.152 120.078 120.400 -0.283 0.000 2.117 455 D HA -0.011 6.752 4.640 3.537 0.000 0.198 455 D C 2.058 178.331 176.300 -0.045 0.000 0.982 455 D CA 1.573 55.529 54.000 -0.073 0.000 0.828 455 D CB -0.205 40.567 40.800 -0.046 0.000 0.967 455 D HN 0.313 nan 8.370 nan 0.000 0.464 456 A N -0.264 122.438 122.820 -0.197 0.000 1.930 456 A HA -0.132 6.310 4.320 3.537 0.000 0.217 456 A C 2.622 179.818 177.584 -0.646 0.000 1.175 456 A CA 1.470 53.340 52.037 -0.278 0.000 0.627 456 A CB -1.251 17.644 19.000 -0.175 0.000 0.815 456 A HN 0.506 nan 8.150 nan 0.000 0.443 457 C N -1.600 117.082 119.300 -1.030 0.000 2.413 457 C HA -0.132 6.451 4.460 3.537 0.000 0.276 457 C C 2.386 177.102 174.990 -0.456 0.000 1.236 457 C CA 1.332 59.750 59.018 -0.999 0.000 1.735 457 C CB -1.554 25.818 27.740 -0.613 0.000 2.031 457 C HN 0.621 nan 8.230 nan 0.000 0.474 458 F N 1.999 121.669 119.950 -0.467 0.000 2.134 458 F HA -0.089 6.560 4.527 3.537 0.000 0.299 458 F C 2.383 177.908 175.800 -0.458 0.000 1.097 458 F CA 2.158 59.844 58.000 -0.523 0.000 1.264 458 F CB -0.589 38.027 39.000 -0.641 0.000 1.001 458 F HN 0.329 nan 8.300 nan 0.000 0.479 459 N N 0.317 118.978 118.700 -0.066 0.000 2.069 459 N HA -0.242 6.621 4.740 3.537 0.000 0.191 459 N C 1.931 177.412 175.510 -0.049 0.000 1.031 459 N CA 1.690 54.784 53.050 0.073 0.000 0.852 459 N CB -0.425 38.172 38.487 0.184 0.000 1.018 459 N HN 0.482 nan 8.380 nan 0.000 0.423 460 E N 0.730 120.866 120.200 -0.107 0.000 2.150 460 E HA -0.052 6.420 4.350 3.537 0.000 0.193 460 E C 2.167 178.709 176.600 -0.098 0.000 0.985 460 E CA 0.385 56.764 56.400 -0.035 0.000 0.814 460 E CB 0.051 29.804 29.700 0.087 0.000 0.752 460 E HN 0.262 nan 8.360 nan 0.000 0.466 461 L N 0.375 121.388 121.223 -0.350 0.000 2.046 461 L HA -0.201 6.261 4.340 3.537 0.000 0.208 461 L C 2.475 179.149 176.870 -0.328 0.000 1.077 461 L CA 0.901 55.382 54.840 -0.599 0.000 0.747 461 L CB -0.325 40.765 42.059 -1.614 0.000 0.896 461 L HN 0.252 nan 8.230 nan 0.000 0.432 462 L N -0.610 120.432 121.223 -0.301 0.000 2.046 462 L HA -0.239 6.223 4.340 3.537 0.000 0.208 462 L C 2.263 179.225 176.870 0.152 0.000 1.077 462 L CA 1.155 56.030 54.840 0.059 0.000 0.747 462 L CB -0.598 41.479 42.059 0.030 0.000 0.896 462 L HN 0.273 nan 8.230 nan 0.000 0.432 463 D N -0.338 120.117 120.400 0.092 0.000 2.084 463 D HA -0.167 6.595 4.640 3.537 0.000 0.194 463 D C 2.238 178.612 176.300 0.123 0.000 0.990 463 D CA 1.017 55.080 54.000 0.105 0.000 0.826 463 D CB -0.102 40.747 40.800 0.081 0.000 0.971 463 D HN 0.216 nan 8.370 nan 0.000 0.453 464 E N -0.165 120.120 120.200 0.141 0.000 2.077 464 E HA -0.124 6.349 4.350 3.537 0.000 0.193 464 E C 2.184 178.876 176.600 0.154 0.000 0.989 464 E CA 0.492 56.969 56.400 0.129 0.000 0.800 464 E CB -0.372 29.405 29.700 0.129 0.000 0.746 464 E HN 0.321 nan 8.360 nan 0.000 0.452 465 F N 1.706 121.745 119.950 0.150 0.000 2.146 465 F HA -0.085 6.564 4.527 3.537 0.000 0.298 465 F C 2.358 178.248 175.800 0.151 0.000 1.096 465 F CA 1.022 59.188 58.000 0.277 0.000 1.275 465 F CB -0.238 39.029 39.000 0.444 0.000 1.008 465 F HN 0.034 nan 8.300 nan 0.000 0.480 466 E N 0.153 120.505 120.200 0.254 0.000 2.085 466 E HA -0.243 6.229 4.350 3.537 0.000 0.194 466 E C 2.048 178.642 176.600 -0.010 0.000 0.994 466 E CA 1.267 57.725 56.400 0.097 0.000 0.801 466 E CB -0.246 29.503 29.700 0.082 0.000 0.743 466 E HN 0.400 nan 8.360 nan 0.000 0.453 467 K N 0.500 120.898 120.400 -0.003 0.000 2.211 467 K HA -0.133 6.309 4.320 3.537 0.000 0.204 467 K C 1.305 177.823 176.600 -0.137 0.000 1.047 467 K CA 0.811 57.067 56.287 -0.052 0.000 0.935 467 K CB 0.116 32.599 32.500 -0.029 0.000 0.728 467 K HN 0.014 nan 8.250 nan 0.000 0.452 468 E N -0.504 119.557 120.200 -0.232 0.000 2.451 468 E HA 0.072 6.544 4.350 3.537 0.000 0.194 468 E C 0.595 176.759 176.600 -0.728 0.000 1.027 468 E CA 0.154 56.281 56.400 -0.455 0.000 0.914 468 E CB 0.875 30.257 29.700 -0.531 0.000 1.054 468 E HN 0.428 nan 8.360 nan 0.000 0.461 469 G N 1.150 109.697 108.800 -0.420 0.000 2.147 469 G HA2 -0.301 5.781 3.960 3.537 0.000 0.244 469 G HA3 -0.301 5.781 3.960 3.537 0.000 0.244 469 G C -0.172 174.587 174.900 -0.235 0.000 1.005 469 G CA 0.116 45.020 45.100 -0.326 0.000 0.713 469 G HN 0.318 nan 8.290 nan 0.000 0.515 470 Y N -0.075 120.256 120.300 0.051 0.000 2.377 470 Y HA 0.667 7.339 4.550 3.537 0.000 0.339 470 Y C 0.530 176.489 175.900 0.098 0.000 1.011 470 Y CA -0.569 57.602 58.100 0.117 0.000 1.093 470 Y CB 2.073 40.711 38.460 0.295 0.000 1.201 470 Y HN 0.484 nan 8.280 nan 0.000 0.455 471 A N 1.856 124.787 122.820 0.186 0.000 2.469 471 A HA 0.779 7.221 4.320 3.537 0.000 0.299 471 A C -0.770 176.877 177.584 0.105 0.000 1.098 471 A CA -0.820 51.257 52.037 0.066 0.000 0.737 471 A CB 1.054 19.896 19.000 -0.262 0.000 1.312 471 A HN 0.684 nan 8.150 nan 0.000 0.414 472 V N -0.396 119.575 119.914 0.095 0.000 2.904 472 V HA 0.447 6.689 4.120 3.537 0.000 0.305 472 V C 0.525 176.752 176.094 0.222 0.000 1.067 472 V CA 0.323 62.658 62.300 0.059 0.000 1.044 472 V CB 0.713 32.503 31.823 -0.055 0.000 1.050 472 V HN 1.282 nan 8.190 nan 0.000 0.475 473 Y N 1.419 121.738 120.300 0.032 0.000 2.482 473 Y HA 0.564 7.235 4.550 3.536 0.000 0.270 473 Y C 0.787 176.682 175.900 -0.008 0.000 1.152 473 Y CA -0.142 57.966 58.100 0.014 0.000 1.292 473 Y CB 0.162 38.585 38.460 -0.062 0.000 1.070 473 Y HN 0.777 nan 8.280 nan 0.000 0.528 474 R N 0.512 120.691 120.500 -0.536 0.000 2.728 474 R HA 0.576 7.038 4.340 3.537 0.000 0.259 474 R C -2.616 173.606 176.300 -0.131 0.000 1.057 474 R CA -0.598 55.111 56.100 -0.653 0.000 0.908 474 R CB 1.934 31.323 30.300 -1.518 0.000 1.259 474 R HN 0.045 nan 8.270 nan 0.000 0.472 475 V N 2.405 122.337 119.914 0.029 0.000 3.204 475 V HA 0.359 6.602 4.120 3.537 0.000 0.298 475 V C -1.316 175.041 176.094 0.439 0.000 1.328 475 V CA -0.825 61.718 62.300 0.406 0.000 1.035 475 V CB 2.469 34.522 31.823 0.384 0.000 1.095 475 V HN 1.026 nan 8.190 nan 0.000 0.442 476 N N 1.099 120.066 118.700 0.445 0.000 2.381 476 N HA 0.091 6.953 4.740 3.537 0.000 0.241 476 N C 1.009 176.639 175.510 0.200 0.000 1.279 476 N CA 0.459 53.676 53.050 0.279 0.000 0.896 476 N CB 0.637 39.169 38.487 0.075 0.000 1.118 476 N HN 0.830 nan 8.380 nan 0.000 0.438 477 T N -2.140 112.462 114.554 0.080 0.000 2.849 477 T HA -0.273 6.200 4.350 3.537 0.000 0.270 477 T C 1.585 176.325 174.700 0.068 0.000 1.066 477 T CA 1.246 63.361 62.100 0.025 0.000 1.130 477 T CB -0.354 68.418 68.868 -0.160 0.000 0.864 477 T HN 0.672 nan 8.240 nan 0.000 0.481 478 R N -0.042 120.479 120.500 0.035 0.000 2.237 478 R HA 0.101 6.563 4.340 3.537 0.000 0.219 478 R C 0.623 176.762 176.300 -0.269 0.000 1.080 478 R CA 0.872 56.936 56.100 -0.061 0.000 0.995 478 R CB -0.178 30.043 30.300 -0.131 0.000 0.875 478 R HN 0.510 nan 8.270 nan 0.000 0.462 479 F N -0.568 119.425 119.950 0.072 0.000 2.724 479 F HA 0.274 6.923 4.527 3.537 0.000 0.310 479 F C 1.440 177.337 175.800 0.162 0.000 1.107 479 F CA -0.509 57.579 58.000 0.147 0.000 1.218 479 F CB 0.697 39.850 39.000 0.256 0.000 1.042 479 F HN -0.081 nan 8.300 nan 0.000 0.540 480 Q N 0.182 120.130 119.800 0.247 0.000 2.224 480 Q HA -0.205 6.257 4.340 3.537 0.000 0.203 480 Q C 1.418 177.521 176.000 0.171 0.000 0.970 480 Q CA 1.819 57.740 55.803 0.196 0.000 0.865 480 Q CB -0.046 28.778 28.738 0.144 0.000 0.922 480 Q HN 0.453 nan 8.270 nan 0.000 0.445 481 D N 0.142 120.633 120.400 0.152 0.000 2.137 481 D HA -0.158 6.605 4.640 3.537 0.000 0.202 481 D C 1.913 178.323 176.300 0.182 0.000 0.970 481 D CA 0.768 54.858 54.000 0.150 0.000 0.837 481 D CB 0.164 41.036 40.800 0.119 0.000 0.981 481 D HN -0.059 nan 8.370 nan 0.000 0.475 482 R N 0.192 120.817 120.500 0.208 0.000 2.083 482 R HA -0.093 6.370 4.340 3.537 0.000 0.237 482 R C 1.967 178.429 176.300 0.269 0.000 1.137 482 R CA 1.543 57.794 56.100 0.252 0.000 0.951 482 R CB -0.928 29.592 30.300 0.367 0.000 0.851 482 R HN 0.162 nan 8.270 nan 0.000 0.434 483 V N 0.948 121.043 119.914 0.303 0.000 2.515 483 V HA -0.143 6.099 4.120 3.537 0.000 0.250 483 V C 2.358 178.635 176.094 0.305 0.000 1.058 483 V CA 1.705 64.185 62.300 0.300 0.000 1.064 483 V CB -0.880 31.126 31.823 0.304 0.000 0.675 483 V HN 0.565 nan 8.190 nan 0.000 0.461 484 A N -0.617 122.339 122.820 0.227 0.000 1.940 484 A HA -0.318 6.125 4.320 3.537 0.000 0.219 484 A C 2.150 179.862 177.584 0.214 0.000 1.176 484 A CA 1.992 54.140 52.037 0.184 0.000 0.631 484 A CB -0.480 18.584 19.000 0.107 0.000 0.814 484 A HN 0.632 nan 8.150 nan 0.000 0.446 485 Q N -0.224 119.696 119.800 0.199 0.000 2.181 485 Q HA -0.125 6.338 4.340 3.537 0.000 0.205 485 Q C 2.298 178.389 176.000 0.151 0.000 0.980 485 Q CA 1.565 57.472 55.803 0.173 0.000 0.862 485 Q CB -0.221 28.619 28.738 0.169 0.000 0.905 485 Q HN 0.671 nan 8.270 nan 0.000 0.429 486 S N -0.062 115.737 115.700 0.165 0.000 2.419 486 S HA -0.139 6.454 4.470 3.537 0.000 0.235 486 S C 1.006 175.537 174.600 -0.115 0.000 1.019 486 S CA 1.064 59.276 58.200 0.019 0.000 0.982 486 S CB -0.149 63.026 63.200 -0.042 0.000 0.789 486 S HN 0.438 nan 8.310 nan 0.000 0.490 487 Y N 1.373 121.702 120.300 0.048 0.000 2.468 487 Y HA 0.397 7.070 4.550 3.539 0.000 0.268 487 Y C 1.359 177.268 175.900 0.015 0.000 1.177 487 Y CA 0.050 58.167 58.100 0.029 0.000 1.265 487 Y CB -0.060 38.410 38.460 0.018 0.000 1.103 487 Y HN 0.308 nan 8.280 nan 0.000 0.522 488 G N 1.048 109.920 108.800 0.120 0.000 2.692 488 G HA2 -0.183 5.899 3.960 3.537 0.000 0.686 488 G HA3 -0.183 5.899 3.960 3.537 0.000 0.686 488 G C -1.929 173.002 174.900 0.053 0.000 1.243 488 G CA -0.568 44.581 45.100 0.081 0.000 0.782 488 G HN 0.062 nan 8.290 nan 0.000 0.625 489 P HA -0.034 nan 4.420 nan 0.000 0.217 489 P C 2.032 179.349 177.300 0.029 0.000 1.151 489 P CA 1.561 64.713 63.100 0.087 0.000 0.828 489 P CB 0.115 31.928 31.700 0.188 0.000 0.788 490 V N 1.451 121.389 119.914 0.040 0.000 2.295 490 V HA -0.236 6.006 4.120 3.537 0.000 0.246 490 V C 2.931 179.026 176.094 0.002 0.000 1.049 490 V CA 2.223 64.541 62.300 0.030 0.000 1.024 490 V CB -1.178 30.665 31.823 0.032 0.000 0.648 490 V HN 0.162 nan 8.190 nan 0.000 0.447 491 K N 0.071 120.469 120.400 -0.003 0.000 2.032 491 K HA -0.211 6.231 4.320 3.537 0.000 0.209 491 K C 2.375 178.936 176.600 -0.066 0.000 1.048 491 K CA 1.670 57.947 56.287 -0.015 0.000 0.927 491 K CB -0.165 32.346 32.500 0.019 0.000 0.712 491 K HN 0.358 nan 8.250 nan 0.000 0.441 492 R N 0.512 120.907 120.500 -0.175 0.000 2.096 492 R HA -0.130 6.333 4.340 3.537 0.000 0.235 492 R C 2.479 178.647 176.300 -0.221 0.000 1.127 492 R CA 1.541 57.426 56.100 -0.358 0.000 0.968 492 R CB -0.240 29.459 30.300 -1.003 0.000 0.861 492 R HN 0.239 nan 8.270 nan 0.000 0.440 493 K N 1.005 121.313 120.400 -0.154 0.000 2.026 493 K HA -0.169 6.274 4.320 3.537 0.000 0.208 493 K C 2.101 178.756 176.600 0.092 0.000 1.048 493 K CA 1.151 57.477 56.287 0.066 0.000 0.929 493 K CB -0.132 32.436 32.500 0.113 0.000 0.713 493 K HN 0.023 nan 8.250 nan 0.000 0.439 494 L N 1.961 123.208 121.223 0.039 0.000 2.046 494 L HA -0.149 6.313 4.340 3.537 0.000 0.208 494 L C 1.709 178.597 176.870 0.030 0.000 1.077 494 L CA 1.836 56.690 54.840 0.023 0.000 0.747 494 L CB -0.397 41.660 42.059 -0.003 0.000 0.896 494 L HN 0.232 nan 8.230 nan 0.000 0.432 495 E N -1.414 118.814 120.200 0.047 0.000 2.153 495 E HA -0.237 6.235 4.350 3.537 0.000 0.194 495 E C 1.963 178.589 176.600 0.043 0.000 0.988 495 E CA 1.393 57.834 56.400 0.069 0.000 0.811 495 E CB -0.157 29.550 29.700 0.013 0.000 0.746 495 E HN 0.653 nan 8.360 nan 0.000 0.466 496 H N -0.335 118.766 119.070 0.051 0.000 2.470 496 H HA 0.100 6.779 4.556 3.538 0.000 0.289 496 H C 1.871 177.242 175.328 0.071 0.000 1.033 496 H CA 1.055 57.160 56.048 0.096 0.000 1.331 496 H CB 0.022 29.870 29.762 0.144 0.000 1.414 496 H HN 0.171 nan 8.280 nan 0.000 0.545 497 A N 0.640 123.536 122.820 0.127 0.000 1.898 497 A HA -0.095 6.347 4.320 3.537 0.000 0.216 497 A C 2.260 179.826 177.584 -0.029 0.000 1.181 497 A CA 1.259 53.325 52.037 0.050 0.000 0.620 497 A CB -0.597 18.419 19.000 0.027 0.000 0.819 497 A HN 0.339 nan 8.150 nan 0.000 0.442 498 I N -0.684 119.827 120.570 -0.099 0.000 2.252 498 I HA -0.235 6.057 4.170 3.537 0.000 0.245 498 I C 2.510 178.474 176.117 -0.256 0.000 1.102 498 I CA 1.746 62.876 61.300 -0.285 0.000 1.385 498 I CB -0.223 37.450 38.000 -0.545 0.000 1.064 498 I HN 0.254 nan 8.210 nan 0.000 0.414 499 K N 1.564 121.941 120.400 -0.039 0.000 2.032 499 K HA -0.222 6.221 4.320 3.537 0.000 0.209 499 K C 2.204 178.834 176.600 0.051 0.000 1.048 499 K CA 1.676 58.038 56.287 0.125 0.000 0.927 499 K CB -0.339 32.229 32.500 0.113 0.000 0.712 499 K HN 0.036 nan 8.250 nan 0.000 0.441 500 R N -0.590 119.936 120.500 0.043 0.000 2.091 500 R HA -0.111 6.352 4.340 3.537 0.000 0.238 500 R C 2.103 178.407 176.300 0.007 0.000 1.136 500 R CA 1.567 57.692 56.100 0.041 0.000 0.959 500 R CB -0.417 29.914 30.300 0.053 0.000 0.856 500 R HN 0.336 nan 8.270 nan 0.000 0.437 501 A N -0.082 122.719 122.820 -0.032 0.000 1.930 501 A HA -0.094 6.348 4.320 3.537 0.000 0.217 501 A C 2.018 179.570 177.584 -0.054 0.000 1.175 501 A CA 1.589 53.594 52.037 -0.053 0.000 0.627 501 A CB -0.237 18.708 19.000 -0.092 0.000 0.815 501 A HN 0.331 nan 8.150 nan 0.000 0.443 502 V N -3.825 116.049 119.914 -0.067 0.000 3.660 502 V HA 0.288 6.530 4.120 3.537 0.000 0.276 502 V C 0.229 176.345 176.094 0.036 0.000 1.317 502 V CA 1.093 63.375 62.300 -0.031 0.000 1.097 502 V CB 0.350 32.132 31.823 -0.068 0.000 0.863 502 V HN 0.342 nan 8.190 nan 0.000 0.438 503 D N 0.722 121.152 120.400 0.049 0.000 3.118 503 D HA 0.297 7.059 4.640 3.537 0.000 0.286 503 D C -1.543 174.792 176.300 0.058 0.000 1.255 503 D CA -1.295 52.746 54.000 0.069 0.000 0.748 503 D CB 1.278 42.141 40.800 0.105 0.000 1.332 503 D HN 0.198 nan 8.370 nan 0.000 0.575 504 P HA -0.135 nan 4.420 nan 0.000 0.217 504 P C 0.682 178.009 177.300 0.044 0.000 1.148 504 P CA 0.860 63.983 63.100 0.038 0.000 0.828 504 P CB 0.412 32.127 31.700 0.025 0.000 0.783 505 N N -0.795 117.932 118.700 0.045 0.000 2.398 505 N HA -0.035 6.828 4.740 3.537 0.000 0.188 505 N C 0.422 175.969 175.510 0.061 0.000 1.122 505 N CA 0.151 53.230 53.050 0.047 0.000 0.866 505 N CB -1.022 37.488 38.487 0.039 0.000 0.970 505 N HN 0.049 nan 8.380 nan 0.000 0.462 506 N N 0.685 119.427 118.700 0.069 0.000 2.735 506 N HA -0.179 6.683 4.740 3.537 0.000 0.248 506 N C 0.661 176.221 175.510 0.083 0.000 1.083 506 N CA 0.382 53.479 53.050 0.078 0.000 0.703 506 N CB -1.457 37.078 38.487 0.080 0.000 1.005 506 N HN 0.537 nan 8.380 nan 0.000 0.550 507 I N -3.742 116.878 120.570 0.083 0.000 3.226 507 I HA 0.139 6.431 4.170 3.537 0.000 0.277 507 I C 0.334 176.508 176.117 0.095 0.000 1.243 507 I CA 0.200 61.556 61.300 0.094 0.000 1.459 507 I CB 0.032 38.089 38.000 0.094 0.000 1.093 507 I HN 0.037 nan 8.210 nan 0.000 0.453 508 L N 3.368 124.639 121.223 0.081 0.000 2.295 508 L HA 0.463 6.925 4.340 3.537 0.000 0.288 508 L C 0.934 177.844 176.870 0.067 0.000 1.079 508 L CA -0.553 54.325 54.840 0.063 0.000 0.830 508 L CB 0.755 42.846 42.059 0.053 0.000 1.200 508 L HN 0.382 nan 8.230 nan 0.000 0.438 509 A N 4.636 127.523 122.820 0.112 0.000 2.311 509 A HA -0.144 6.298 4.320 3.537 0.000 0.284 509 A C -2.029 175.672 177.584 0.195 0.000 1.409 509 A CA -0.469 51.706 52.037 0.230 0.000 0.764 509 A CB -1.689 17.405 19.000 0.156 0.000 1.095 509 A HN 0.517 nan 8.150 nan 0.000 0.369 510 P HA 0.319 nan 4.420 nan 0.000 0.264 510 P C 1.185 178.559 177.300 0.123 0.000 1.193 510 P CA 1.513 64.678 63.100 0.109 0.000 0.763 510 P CB 0.871 32.629 31.700 0.097 0.000 0.810 511 G N 2.456 111.319 108.800 0.106 0.000 2.259 511 G HA2 -0.219 5.864 3.960 3.537 0.000 0.217 511 G HA3 -0.219 5.864 3.960 3.537 0.000 0.217 511 G C 0.387 175.360 174.900 0.123 0.000 1.001 511 G CA -0.251 44.913 45.100 0.106 0.000 0.627 511 G HN 0.745 nan 8.290 nan 0.000 0.501 512 R N 1.637 122.235 120.500 0.165 0.000 2.480 512 R HA 0.447 6.909 4.340 3.537 0.000 0.303 512 R C 1.241 177.558 176.300 0.029 0.000 0.985 512 R CA 1.312 57.515 56.100 0.171 0.000 1.051 512 R CB -0.423 29.942 30.300 0.109 0.000 0.935 512 R HN 0.841 nan 8.270 nan 0.000 0.410 513 S N 2.911 118.633 115.700 0.037 0.000 3.473 513 S HA -0.198 6.394 4.470 3.537 0.000 0.339 513 S C 0.941 175.547 174.600 0.010 0.000 1.148 513 S CA 1.327 59.519 58.200 -0.014 0.000 0.969 513 S CB -1.816 61.317 63.200 -0.111 0.000 0.936 513 S HN 1.404 nan 8.310 nan 0.000 0.530 514 G N -0.167 108.671 108.800 0.065 0.000 2.160 514 G HA2 -0.301 5.781 3.960 3.537 0.000 0.251 514 G HA3 -0.301 5.781 3.960 3.537 0.000 0.251 514 G C -0.069 174.917 174.900 0.144 0.000 1.008 514 G CA 0.352 45.523 45.100 0.118 0.000 0.724 514 G HN 0.771 nan 8.290 nan 0.000 0.514 515 I N 1.041 121.616 120.570 0.008 0.000 2.307 515 I HA 0.488 6.781 4.170 3.537 0.000 0.289 515 I C -0.563 175.528 176.117 -0.043 0.000 1.021 515 I CA -0.563 60.618 61.300 -0.198 0.000 1.224 515 I CB 1.572 39.369 38.000 -0.338 0.000 1.376 515 I HN 0.057 nan 8.210 nan 0.000 0.470 516 D N 6.231 126.716 120.400 0.142 0.000 2.861 516 D HA 0.206 6.969 4.640 3.537 0.000 0.216 516 D C 0.358 176.840 176.300 0.304 0.000 1.323 516 D CA -0.489 53.626 54.000 0.192 0.000 0.917 516 D CB 1.748 42.664 40.800 0.193 0.000 1.582 516 D HN 0.354 nan 8.370 nan 0.000 0.576 517 L N 2.930 124.278 121.223 0.208 0.000 2.450 517 L HA -0.054 6.408 4.340 3.537 0.000 0.224 517 L C 1.431 178.401 176.870 0.167 0.000 1.149 517 L CA 0.728 55.702 54.840 0.223 0.000 0.816 517 L CB -0.314 41.831 42.059 0.142 0.000 0.932 517 L HN 0.372 nan 8.230 nan 0.000 0.449 518 N N -0.784 117.999 118.700 0.139 0.000 2.494 518 N HA -0.045 6.817 4.740 3.537 0.000 0.182 518 N C 0.365 175.915 175.510 0.068 0.000 1.076 518 N CA -0.080 53.021 53.050 0.085 0.000 0.908 518 N CB 0.136 38.663 38.487 0.066 0.000 0.967 518 N HN 0.300 nan 8.380 nan 0.000 0.449 519 N N 0.997 119.768 118.700 0.118 0.000 2.444 519 N HA -0.031 6.832 4.740 3.537 0.000 0.255 519 N C -0.515 174.928 175.510 -0.111 0.000 1.255 519 N CA 0.201 53.266 53.050 0.024 0.000 0.933 519 N CB 0.556 39.132 38.487 0.148 0.000 1.143 519 N HN 0.031 nan 8.380 nan 0.000 0.453 520 D N 0.961 121.167 120.400 -0.324 0.000 2.741 520 D HA 0.233 6.995 4.640 3.537 0.000 0.233 520 D C -1.032 174.903 176.300 -0.607 0.000 1.160 520 D CA 0.022 53.808 54.000 -0.358 0.000 1.003 520 D CB -0.799 39.801 40.800 -0.332 0.000 1.064 520 D HN 0.193 nan 8.370 nan 0.000 0.503 521 F N 0.000 119.831 119.950 -0.198 0.000 2.286 521 F HA 0.000 6.650 4.527 3.539 0.000 0.279 521 F CA 0.000 57.862 58.000 -0.229 0.000 1.383 521 F CB 0.000 38.630 39.000 -0.617 0.000 1.145 521 F HN 0.000 nan 8.300 nan 0.000 0.574