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 1nbm_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.277 176.300 -0.039 0.000 2.045 24 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 24 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 25 L N 2.941 124.132 121.223 -0.053 0.000 3.016 25 L HA 0.313 4.653 4.340 -0.000 0.000 0.267 25 L C 1.362 178.182 176.870 -0.082 0.000 1.182 25 L CA -0.293 54.494 54.840 -0.089 0.000 0.997 25 L CB 0.465 42.447 42.059 -0.129 0.000 1.354 25 L HN 0.394 nan 8.230 nan 0.000 0.569 26 E N 0.717 120.883 120.200 -0.058 0.000 2.190 26 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 26 E C 0.902 177.472 176.600 -0.049 0.000 0.978 26 E CA 0.875 57.246 56.400 -0.049 0.000 0.839 26 E CB 0.553 30.232 29.700 -0.035 0.000 0.787 26 E HN 0.361 nan 8.360 nan 0.000 0.473 27 E N 0.101 120.271 120.200 -0.049 0.000 2.676 27 E HA 0.187 4.537 4.350 -0.000 0.000 0.222 27 E C -0.141 176.424 176.600 -0.060 0.000 0.968 27 E CA 0.107 56.478 56.400 -0.049 0.000 1.090 27 E CB 1.495 31.173 29.700 -0.037 0.000 1.066 27 E HN -0.041 nan 8.360 nan 0.000 0.496 28 T N -0.322 114.193 114.554 -0.066 0.000 2.864 28 T HA 0.740 5.090 4.350 -0.000 0.000 0.299 28 T C -0.216 174.433 174.700 -0.084 0.000 1.166 28 T CA -0.657 61.400 62.100 -0.072 0.000 1.007 28 T CB 2.390 71.228 68.868 -0.050 0.000 1.219 28 T HN 0.115 nan 8.240 nan 0.000 0.506 29 G N 0.461 109.212 108.800 -0.082 0.000 2.692 29 G HA2 0.697 4.657 3.960 -0.000 0.000 0.291 29 G HA3 0.697 4.657 3.960 -0.000 0.000 0.291 29 G C -1.892 172.997 174.900 -0.018 0.000 1.423 29 G CA -0.861 44.195 45.100 -0.073 0.000 0.843 29 G HN 0.603 nan 8.290 nan 0.000 0.486 30 R N -0.155 120.372 120.500 0.045 0.000 2.599 30 R HA 0.518 4.858 4.340 -0.000 0.000 0.295 30 R C -0.673 175.695 176.300 0.114 0.000 0.963 30 R CA -0.786 55.364 56.100 0.084 0.000 0.883 30 R CB 2.672 33.034 30.300 0.103 0.000 1.171 30 R HN 0.329 nan 8.270 nan 0.000 0.450 31 V N 5.294 125.278 119.914 0.117 0.000 2.485 31 V HA -0.031 4.089 4.120 -0.000 0.000 0.287 31 V C 1.585 177.729 176.094 0.084 0.000 1.022 31 V CA 0.452 62.827 62.300 0.125 0.000 1.067 31 V CB 0.502 32.416 31.823 0.152 0.000 0.967 31 V HN 0.766 nan 8.190 nan 0.000 0.479 32 L N 3.787 125.054 121.223 0.074 0.000 2.162 32 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 32 L C 0.892 177.773 176.870 0.019 0.000 1.086 32 L CA 0.938 55.796 54.840 0.031 0.000 0.778 32 L CB 0.148 42.217 42.059 0.017 0.000 0.928 32 L HN 0.880 nan 8.230 nan 0.000 0.446 33 S N -1.237 114.479 115.700 0.027 0.000 2.567 33 S HA 0.598 5.068 4.470 -0.000 0.000 0.270 33 S C -1.078 173.529 174.600 0.012 0.000 1.152 33 S CA -0.805 57.402 58.200 0.012 0.000 0.835 33 S CB 2.563 65.764 63.200 0.001 0.000 1.115 33 S HN -0.008 nan 8.310 nan 0.000 0.459 34 I N 0.236 120.803 120.570 -0.005 0.000 2.571 34 I HA 0.867 5.037 4.170 -0.000 0.000 0.289 34 I C -0.384 175.714 176.117 -0.031 0.000 1.115 34 I CA 0.403 61.689 61.300 -0.023 0.000 1.045 34 I CB 1.462 39.437 38.000 -0.042 0.000 1.238 34 I HN 1.377 nan 8.210 nan 0.000 0.424 35 G N 4.409 113.187 108.800 -0.036 0.000 2.442 35 G HA2 0.394 4.354 3.960 -0.000 0.000 0.296 35 G HA3 0.394 4.354 3.960 -0.000 0.000 0.296 35 G C -1.103 173.774 174.900 -0.039 0.000 1.564 35 G CA -0.404 44.674 45.100 -0.035 0.000 0.828 35 G HN 0.640 nan 8.290 nan 0.000 0.571 36 D N -0.692 119.685 120.400 -0.039 0.000 2.911 36 D HA -0.197 4.443 4.640 -0.000 0.000 0.227 36 D C 1.733 178.003 176.300 -0.049 0.000 1.164 36 D CA 2.911 56.887 54.000 -0.041 0.000 0.782 36 D CB -1.157 39.618 40.800 -0.041 0.000 1.094 36 D HN 2.259 nan 8.370 nan 0.000 0.425 37 G N -1.174 107.593 108.800 -0.053 0.000 2.189 37 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 37 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 37 G C 0.330 175.187 174.900 -0.072 0.000 0.975 37 G CA 0.539 45.600 45.100 -0.064 0.000 0.644 37 G HN 0.488 nan 8.290 nan 0.000 0.537 38 I N 1.098 121.633 120.570 -0.058 0.000 2.385 38 I HA 0.669 4.839 4.170 -0.000 0.000 0.294 38 I C 0.566 176.664 176.117 -0.030 0.000 0.988 38 I CA -0.900 60.373 61.300 -0.047 0.000 1.265 38 I CB 1.261 39.237 38.000 -0.040 0.000 1.388 38 I HN 0.382 nan 8.210 nan 0.000 0.480 39 A N 7.350 130.167 122.820 -0.004 0.000 2.323 39 A HA 0.574 4.894 4.320 -0.000 0.000 0.305 39 A C -0.154 177.471 177.584 0.069 0.000 1.275 39 A CA -0.794 51.266 52.037 0.039 0.000 0.804 39 A CB 0.554 19.604 19.000 0.084 0.000 1.152 39 A HN 0.544 nan 8.150 nan 0.000 0.487 40 R N 2.382 122.913 120.500 0.051 0.000 2.272 40 R HA 0.278 4.618 4.340 -0.000 0.000 0.334 40 R C -0.332 176.015 176.300 0.079 0.000 1.117 40 R CA -0.118 56.013 56.100 0.052 0.000 0.966 40 R CB 0.268 30.588 30.300 0.034 0.000 1.049 40 R HN 0.460 nan 8.270 nan 0.000 0.477 41 V N 3.016 122.979 119.914 0.082 0.000 2.732 41 V HA 0.064 4.184 4.120 -0.000 0.000 0.297 41 V C 0.225 176.380 176.094 0.101 0.000 1.060 41 V CA -0.526 61.825 62.300 0.085 0.000 1.038 41 V CB 1.129 32.970 31.823 0.031 0.000 1.003 41 V HN 0.627 nan 8.190 nan 0.000 0.481 42 H N 1.923 120.995 119.070 0.004 0.000 2.511 42 H HA 0.674 5.230 4.556 -0.000 0.000 0.328 42 H C 0.192 175.514 175.328 -0.010 0.000 1.044 42 H CA 0.586 56.634 56.048 -0.001 0.000 1.212 42 H CB 0.851 30.615 29.762 0.003 0.000 1.428 42 H HN 0.982 nan 8.280 nan 0.000 0.483 43 G N 3.255 111.785 108.800 -0.451 0.000 2.460 43 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.207 43 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.207 43 G C -0.289 174.503 174.900 -0.181 0.000 1.170 43 G CA -0.467 44.404 45.100 -0.380 0.000 1.151 43 G HN 1.128 nan 8.290 nan 0.000 0.575 44 L N 0.148 121.289 121.223 -0.137 0.000 3.678 44 L HA -0.253 4.087 4.340 -0.000 0.000 0.425 44 L C 2.334 179.157 176.870 -0.080 0.000 1.240 44 L CA 1.077 55.858 54.840 -0.097 0.000 0.876 44 L CB -0.917 41.087 42.059 -0.092 0.000 1.766 44 L HN 0.718 nan 8.230 nan 0.000 0.917 45 R N 0.286 120.735 120.500 -0.084 0.000 2.112 45 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 45 R C 1.051 177.324 176.300 -0.044 0.000 1.137 45 R CA 2.294 58.356 56.100 -0.063 0.000 0.944 45 R CB -0.265 29.999 30.300 -0.060 0.000 0.857 45 R HN 0.494 nan 8.270 nan 0.000 0.435 46 N N 0.600 119.275 118.700 -0.041 0.000 2.484 46 N HA 0.050 4.790 4.740 -0.000 0.000 0.245 46 N C -0.699 174.793 175.510 -0.029 0.000 1.184 46 N CA -0.059 52.973 53.050 -0.030 0.000 0.884 46 N CB 0.433 38.904 38.487 -0.027 0.000 1.182 46 N HN 0.086 nan 8.380 nan 0.000 0.493 47 V N -2.183 117.712 119.914 -0.032 0.000 2.686 47 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 47 V C 0.300 176.384 176.094 -0.016 0.000 1.057 47 V CA -0.969 61.314 62.300 -0.029 0.000 1.012 47 V CB 1.269 33.070 31.823 -0.037 0.000 1.006 47 V HN 0.125 nan 8.190 nan 0.000 0.477 48 Q N 2.026 121.820 119.800 -0.010 0.000 2.214 48 Q HA 0.682 5.022 4.340 -0.000 0.000 0.251 48 Q C 0.072 176.075 176.000 0.005 0.000 0.936 48 Q CA -0.569 55.233 55.803 -0.001 0.000 0.894 48 Q CB 1.790 30.529 28.738 0.003 0.000 1.252 48 Q HN 1.093 nan 8.270 nan 0.000 0.448 49 A N 1.866 124.692 122.820 0.010 0.000 2.492 49 A HA 0.114 4.434 4.320 -0.000 0.000 0.254 49 A C -0.032 177.567 177.584 0.026 0.000 1.091 49 A CA 0.125 52.173 52.037 0.017 0.000 0.768 49 A CB -0.243 18.768 19.000 0.020 0.000 1.028 49 A HN 0.939 nan 8.150 nan 0.000 0.498 50 E N -0.220 120.001 120.200 0.034 0.000 2.759 50 E HA -0.175 4.175 4.350 -0.000 0.000 0.280 50 E C 0.002 176.636 176.600 0.056 0.000 1.009 50 E CA 1.100 57.533 56.400 0.054 0.000 0.849 50 E CB -1.367 28.364 29.700 0.051 0.000 1.415 50 E HN 0.905 nan 8.360 nan 0.000 0.412 51 E N 0.421 120.645 120.200 0.039 0.000 2.242 51 E HA 0.320 4.670 4.350 -0.000 0.000 0.275 51 E C 0.108 176.736 176.600 0.046 0.000 1.002 51 E CA -0.688 55.733 56.400 0.034 0.000 0.841 51 E CB 0.762 30.469 29.700 0.011 0.000 1.109 51 E HN -0.029 nan 8.360 nan 0.000 0.394 52 M N 2.921 122.556 119.600 0.057 0.000 2.250 52 M HA 0.218 4.698 4.480 -0.000 0.000 0.344 52 M C -0.160 176.148 176.300 0.013 0.000 1.150 52 M CA -0.454 54.892 55.300 0.076 0.000 1.147 52 M CB 0.901 33.560 32.600 0.098 0.000 1.498 52 M HN 0.455 nan 8.290 nan 0.000 0.461 53 V N 0.024 119.930 119.914 -0.012 0.000 3.078 53 V HA 0.694 4.814 4.120 -0.000 0.000 0.311 53 V C -0.788 175.228 176.094 -0.129 0.000 1.138 53 V CA -0.907 61.322 62.300 -0.119 0.000 1.007 53 V CB 2.431 34.116 31.823 -0.230 0.000 1.045 53 V HN 0.858 nan 8.190 nan 0.000 0.432 54 E N 1.392 121.476 120.200 -0.194 0.000 2.227 54 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 54 E C -1.755 174.684 176.600 -0.269 0.000 0.907 54 E CA -0.497 55.842 56.400 -0.102 0.000 0.786 54 E CB 2.673 32.361 29.700 -0.019 0.000 1.191 54 E HN 0.641 nan 8.360 nan 0.000 0.411 55 F N 0.074 120.034 119.950 0.017 0.000 2.497 55 F HA 0.166 4.693 4.527 0.000 0.000 0.331 55 F C 1.662 177.471 175.800 0.013 0.000 1.060 55 F CA -0.402 57.605 58.000 0.012 0.000 0.989 55 F CB 1.563 40.569 39.000 0.010 0.000 1.245 55 F HN 0.415 nan 8.300 nan 0.000 0.486 56 S N -0.155 115.667 115.700 0.203 0.000 2.387 56 S HA -0.195 4.275 4.470 -0.000 0.000 0.230 56 S C 1.751 176.417 174.600 0.109 0.000 1.035 56 S CA 1.700 59.969 58.200 0.115 0.000 1.014 56 S CB -0.544 62.714 63.200 0.096 0.000 0.836 56 S HN 0.665 nan 8.310 nan 0.000 0.466 57 S N 0.516 116.298 115.700 0.135 0.000 2.720 57 S HA 0.365 4.835 4.470 -0.000 0.000 0.222 57 S C 1.550 176.207 174.600 0.096 0.000 0.958 57 S CA 0.482 58.736 58.200 0.089 0.000 0.943 57 S CB -0.413 62.820 63.200 0.055 0.000 0.779 57 S HN 0.759 nan 8.310 nan 0.000 0.526 58 G N 0.291 109.163 108.800 0.120 0.000 2.212 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.266 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.266 58 G C -0.028 174.956 174.900 0.140 0.000 0.978 58 G CA 0.309 45.473 45.100 0.107 0.000 0.632 58 G HN 0.489 nan 8.290 nan 0.000 0.537 59 L N 0.982 122.313 121.223 0.179 0.000 2.456 59 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 59 L C 0.978 178.046 176.870 0.330 0.000 1.189 59 L CA 0.723 55.681 54.840 0.197 0.000 0.846 59 L CB 0.642 42.755 42.059 0.090 0.000 1.111 59 L HN 0.207 nan 8.230 nan 0.000 0.475 60 K N 1.115 121.683 120.400 0.280 0.000 2.156 60 K HA 0.800 5.120 4.320 -0.000 0.000 0.250 60 K C 0.020 176.817 176.600 0.328 0.000 0.955 60 K CA -0.606 55.853 56.287 0.287 0.000 0.855 60 K CB 1.833 34.479 32.500 0.243 0.000 1.101 60 K HN 0.759 nan 8.250 nan 0.000 0.434 61 G N 0.681 109.632 108.800 0.252 0.000 2.870 61 G HA2 0.654 4.614 3.960 -0.000 0.000 0.299 61 G HA3 0.654 4.614 3.960 -0.000 0.000 0.299 61 G C -1.758 173.142 174.900 -0.000 0.000 1.324 61 G CA -0.648 44.501 45.100 0.082 0.000 0.808 61 G HN 0.500 nan 8.290 nan 0.000 0.535 62 M N 0.556 120.086 119.600 -0.116 0.000 2.322 62 M HA 0.487 4.967 4.480 -0.000 0.000 0.286 62 M C -1.169 175.112 176.300 -0.031 0.000 1.111 62 M CA -0.523 54.761 55.300 -0.026 0.000 0.941 62 M CB 2.119 34.728 32.600 0.016 0.000 1.671 62 M HN 0.382 nan 8.290 nan 0.000 0.470 63 S N 4.440 120.137 115.700 -0.006 0.000 2.414 63 S HA 0.167 4.637 4.470 -0.000 0.000 0.290 63 S C 0.389 174.991 174.600 0.004 0.000 1.160 63 S CA -0.525 57.669 58.200 -0.009 0.000 1.069 63 S CB 0.651 63.843 63.200 -0.012 0.000 1.012 63 S HN 0.655 nan 8.310 nan 0.000 0.510 64 L N 4.732 125.953 121.223 -0.003 0.000 2.265 64 L HA 0.362 4.702 4.340 -0.000 0.000 0.195 64 L C 0.005 176.879 176.870 0.007 0.000 1.083 64 L CA 1.278 56.121 54.840 0.005 0.000 0.798 64 L CB -0.163 41.890 42.059 -0.011 0.000 0.989 64 L HN 0.488 nan 8.230 nan 0.000 0.472 65 N N 0.691 119.391 118.700 -0.000 0.000 2.426 65 N HA 0.419 5.159 4.740 -0.000 0.000 0.257 65 N C -1.216 174.295 175.510 0.003 0.000 1.002 65 N CA -0.137 52.914 53.050 0.003 0.000 0.942 65 N CB 1.006 39.493 38.487 -0.001 0.000 1.112 65 N HN 0.112 nan 8.380 nan 0.000 0.499 66 L N 2.432 123.657 121.223 0.005 0.000 2.360 66 L HA 0.318 4.658 4.340 -0.000 0.000 0.265 66 L C 0.148 177.021 176.870 0.004 0.000 1.066 66 L CA -0.321 54.520 54.840 0.002 0.000 0.929 66 L CB 0.089 42.149 42.059 0.001 0.000 1.306 66 L HN 0.480 nan 8.230 nan 0.000 0.434 67 E N 2.967 123.171 120.200 0.007 0.000 2.280 67 E HA 0.249 4.599 4.350 -0.000 0.000 0.264 67 E C -1.857 174.750 176.600 0.011 0.000 1.064 67 E CA -1.875 54.531 56.400 0.010 0.000 0.900 67 E CB 1.126 30.833 29.700 0.013 0.000 1.123 67 E HN 0.231 nan 8.360 nan 0.000 0.418 68 P HA -0.051 nan 4.420 nan 0.000 0.279 68 P C -0.560 176.756 177.300 0.026 0.000 1.451 68 P CA 0.823 63.931 63.100 0.014 0.000 0.783 68 P CB 0.010 31.717 31.700 0.012 0.000 1.490 69 D N -2.719 117.703 120.400 0.037 0.000 2.107 69 D HA -0.037 4.603 4.640 -0.000 0.000 0.636 69 D C -0.094 176.271 176.300 0.107 0.000 0.811 69 D CA -0.027 54.018 54.000 0.074 0.000 1.172 69 D CB -0.422 40.416 40.800 0.064 0.000 1.419 69 D HN 0.294 nan 8.370 nan 0.000 0.409 70 N N -0.441 118.297 118.700 0.063 0.000 2.825 70 N HA 0.537 5.277 4.740 -0.000 0.000 0.253 70 N C -1.877 173.650 175.510 0.029 0.000 1.426 70 N CA -0.788 52.301 53.050 0.065 0.000 0.851 70 N CB 2.363 40.887 38.487 0.062 0.000 1.470 70 N HN -0.136 nan 8.380 nan 0.000 0.517 71 V N -0.012 119.917 119.914 0.025 0.000 2.482 71 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 71 V C 0.334 176.438 176.094 0.017 0.000 1.026 71 V CA -0.786 61.519 62.300 0.009 0.000 0.856 71 V CB 1.297 33.114 31.823 -0.010 0.000 1.001 71 V HN 0.921 nan 8.190 nan 0.000 0.424 72 G N 3.768 112.574 108.800 0.009 0.000 2.360 72 G HA2 0.470 4.430 3.960 -0.000 0.000 0.279 72 G HA3 0.470 4.430 3.960 -0.000 0.000 0.279 72 G C -0.539 174.363 174.900 0.003 0.000 1.189 72 G CA -0.110 44.993 45.100 0.006 0.000 0.941 72 G HN 0.534 nan 8.290 nan 0.000 0.445 73 V N 4.050 123.980 119.914 0.026 0.000 2.370 73 V HA 0.186 4.306 4.120 -0.000 0.000 0.283 73 V C 0.313 176.396 176.094 -0.019 0.000 1.023 73 V CA -0.685 61.634 62.300 0.031 0.000 0.857 73 V CB 1.636 33.545 31.823 0.143 0.000 0.985 73 V HN 0.517 nan 8.190 nan 0.000 0.443 74 V N 6.307 126.149 119.914 -0.120 0.000 2.488 74 V HA 0.219 4.339 4.120 -0.000 0.000 0.277 74 V C 0.193 176.064 176.094 -0.371 0.000 1.046 74 V CA -0.263 61.894 62.300 -0.240 0.000 0.986 74 V CB 1.426 33.067 31.823 -0.304 0.000 0.989 74 V HN 0.606 nan 8.190 nan 0.000 0.475 75 V N 5.994 125.748 119.914 -0.266 0.000 2.407 75 V HA 0.331 4.451 4.120 -0.000 0.000 0.278 75 V C -0.031 175.967 176.094 -0.160 0.000 1.037 75 V CA -0.335 61.839 62.300 -0.210 0.000 0.900 75 V CB 1.070 32.783 31.823 -0.182 0.000 0.983 75 V HN 0.707 nan 8.190 nan 0.000 0.459 76 F N 4.199 124.204 119.950 0.092 0.000 2.871 76 F HA 0.668 5.195 4.527 -0.000 0.000 0.317 76 F C 1.080 176.916 175.800 0.060 0.000 1.193 76 F CA -0.306 57.749 58.000 0.092 0.000 1.311 76 F CB 0.167 39.232 39.000 0.107 0.000 1.380 76 F HN 0.687 nan 8.300 nan 0.000 0.557 77 G N 0.039 108.935 108.800 0.161 0.000 2.341 77 G HA2 0.046 4.006 3.960 -0.000 0.000 0.299 77 G HA3 0.046 4.006 3.960 -0.000 0.000 0.299 77 G C -1.278 173.635 174.900 0.021 0.000 1.274 77 G CA -1.088 44.066 45.100 0.091 0.000 0.853 77 G HN -0.062 nan 8.290 nan 0.000 0.493 78 N N 1.092 119.793 118.700 0.002 0.000 2.454 78 N HA 0.102 4.842 4.740 -0.000 0.000 0.285 78 N C 1.193 176.657 175.510 -0.077 0.000 1.233 78 N CA 0.560 53.595 53.050 -0.025 0.000 1.036 78 N CB 0.231 38.709 38.487 -0.016 0.000 1.423 78 N HN 0.538 nan 8.380 nan 0.000 0.495 79 D N 1.234 121.576 120.400 -0.097 0.000 2.351 79 D HA -0.151 4.489 4.640 -0.000 0.000 0.216 79 D C 0.858 177.073 176.300 -0.141 0.000 0.968 79 D CA 1.090 54.990 54.000 -0.167 0.000 0.899 79 D CB 0.153 40.866 40.800 -0.145 0.000 0.907 79 D HN 0.436 nan 8.370 nan 0.000 0.514 80 K N 0.042 120.389 120.400 -0.089 0.000 2.439 80 K HA 0.076 4.396 4.320 -0.000 0.000 0.197 80 K C 1.661 178.219 176.600 -0.070 0.000 1.041 80 K CA 0.371 56.617 56.287 -0.068 0.000 0.970 80 K CB 0.043 32.517 32.500 -0.042 0.000 0.773 80 K HN 0.288 nan 8.250 nan 0.000 0.479 81 L N 0.933 122.104 121.223 -0.086 0.000 2.313 81 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 81 L C 0.961 177.775 176.870 -0.093 0.000 1.119 81 L CA 0.216 55.012 54.840 -0.073 0.000 0.809 81 L CB -0.182 41.838 42.059 -0.065 0.000 0.933 81 L HN 0.100 nan 8.230 nan 0.000 0.449 82 I N 0.698 121.172 120.570 -0.161 0.000 2.588 82 I HA 0.009 4.179 4.170 -0.000 0.000 0.283 82 I C 0.173 176.244 176.117 -0.077 0.000 1.119 82 I CA 0.582 61.777 61.300 -0.175 0.000 1.419 82 I CB 0.450 38.246 38.000 -0.339 0.000 1.394 82 I HN 0.100 nan 8.210 nan 0.000 0.562 83 K N 4.613 124.999 120.400 -0.024 0.000 2.444 83 K HA 0.346 4.666 4.320 -0.000 0.000 0.252 83 K C -0.781 175.834 176.600 0.024 0.000 0.993 83 K CA -0.957 55.329 56.287 -0.003 0.000 0.847 83 K CB 1.996 34.498 32.500 0.004 0.000 1.340 83 K HN 0.509 nan 8.250 nan 0.000 0.446 84 E N 0.174 120.385 120.200 0.019 0.000 2.384 84 E HA 0.076 4.426 4.350 -0.000 0.000 0.266 84 E C 0.461 177.082 176.600 0.036 0.000 1.012 84 E CA 1.063 57.480 56.400 0.028 0.000 0.901 84 E CB 0.233 29.941 29.700 0.014 0.000 0.967 84 E HN 0.755 nan 8.360 nan 0.000 0.435 85 G N 3.959 112.789 108.800 0.050 0.000 2.195 85 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 85 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 85 G C -0.184 174.755 174.900 0.064 0.000 0.984 85 G CA 0.108 45.239 45.100 0.050 0.000 0.633 85 G HN 0.658 nan 8.290 nan 0.000 0.525 86 D N 0.598 121.050 120.400 0.086 0.000 2.443 86 D HA 0.425 5.065 4.640 -0.000 0.000 0.239 86 D C 0.841 177.209 176.300 0.113 0.000 1.136 86 D CA 0.060 54.129 54.000 0.115 0.000 0.879 86 D CB 0.645 41.547 40.800 0.170 0.000 1.195 86 D HN 0.216 nan 8.370 nan 0.000 0.443 87 I N 1.674 122.294 120.570 0.082 0.000 2.474 87 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 87 I C -0.048 176.055 176.117 -0.023 0.000 1.048 87 I CA -0.216 61.101 61.300 0.029 0.000 1.383 87 I CB 1.109 39.119 38.000 0.016 0.000 1.412 87 I HN 0.013 nan 8.210 nan 0.000 0.531 88 V N 6.493 126.336 119.914 -0.119 0.000 2.531 88 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 88 V C -0.111 175.855 176.094 -0.213 0.000 1.034 88 V CA -1.003 61.107 62.300 -0.318 0.000 0.865 88 V CB 1.500 33.063 31.823 -0.434 0.000 0.995 88 V HN 0.613 nan 8.190 nan 0.000 0.424 89 K N 3.298 123.575 120.400 -0.206 0.000 2.281 89 K HA 0.702 5.022 4.320 -0.000 0.000 0.242 89 K C -0.571 175.954 176.600 -0.126 0.000 0.971 89 K CA -0.987 55.225 56.287 -0.126 0.000 0.834 89 K CB 2.435 34.888 32.500 -0.079 0.000 1.181 89 K HN 0.535 nan 8.250 nan 0.000 0.435 90 R N 0.258 120.707 120.500 -0.085 0.000 2.459 90 R HA 0.127 4.467 4.340 -0.000 0.000 0.281 90 R C 1.029 177.304 176.300 -0.043 0.000 1.050 90 R CA -0.172 55.888 56.100 -0.066 0.000 1.055 90 R CB 0.942 31.211 30.300 -0.051 0.000 1.045 90 R HN 0.826 nan 8.270 nan 0.000 0.495 91 T N -2.171 112.366 114.554 -0.028 0.000 3.039 91 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 91 T C 1.369 176.065 174.700 -0.006 0.000 1.052 91 T CA 0.457 62.551 62.100 -0.010 0.000 1.125 91 T CB 0.317 69.189 68.868 0.006 0.000 0.908 91 T HN 0.809 nan 8.240 nan 0.000 0.473 92 G N 1.363 110.158 108.800 -0.008 0.000 2.136 92 G HA2 0.136 4.096 3.960 -0.000 0.000 0.242 92 G HA3 0.136 4.096 3.960 -0.000 0.000 0.242 92 G C 0.106 175.008 174.900 0.002 0.000 0.989 92 G CA -0.117 44.979 45.100 -0.005 0.000 0.682 92 G HN 1.348 nan 8.290 nan 0.000 0.522 93 A N 0.013 122.837 122.820 0.008 0.000 2.422 93 A HA 0.771 5.091 4.320 -0.000 0.000 0.302 93 A C 0.135 177.732 177.584 0.022 0.000 1.041 93 A CA -0.763 51.281 52.037 0.013 0.000 0.708 93 A CB 1.283 20.291 19.000 0.013 0.000 1.257 93 A HN 0.539 nan 8.150 nan 0.000 0.414 94 I N 1.809 122.392 120.570 0.022 0.000 2.813 94 I HA 0.021 4.191 4.170 -0.000 0.000 0.287 94 I C 0.754 176.894 176.117 0.039 0.000 1.196 94 I CA 0.070 61.389 61.300 0.030 0.000 1.421 94 I CB 0.829 38.843 38.000 0.022 0.000 1.365 94 I HN 0.410 nan 8.210 nan 0.000 0.591 95 V N 6.139 126.091 119.914 0.062 0.000 2.539 95 V HA -0.084 4.036 4.120 -0.000 0.000 0.294 95 V C 0.176 176.284 176.094 0.024 0.000 0.994 95 V CA 0.248 62.591 62.300 0.073 0.000 1.169 95 V CB -1.143 30.756 31.823 0.127 0.000 0.898 95 V HN 0.827 nan 8.190 nan 0.000 0.471 96 D N 4.179 124.587 120.400 0.014 0.000 2.645 96 D HA 0.668 5.308 4.640 -0.000 0.000 0.228 96 D C -0.501 175.790 176.300 -0.015 0.000 1.148 96 D CA -0.619 53.380 54.000 -0.003 0.000 0.860 96 D CB 2.295 43.096 40.800 0.002 0.000 1.548 96 D HN 0.424 nan 8.370 nan 0.000 0.460 97 V N -3.619 116.279 119.914 -0.026 0.000 2.960 97 V HA 0.725 4.845 4.120 -0.000 0.000 0.315 97 V C -2.923 173.147 176.094 -0.040 0.000 1.087 97 V CA -2.642 59.636 62.300 -0.036 0.000 0.982 97 V CB 1.641 33.435 31.823 -0.049 0.000 1.039 97 V HN 0.338 nan 8.190 nan 0.000 0.437 98 P HA 0.352 nan 4.420 nan 0.000 0.268 98 P C -0.877 176.365 177.300 -0.096 0.000 1.204 98 P CA 0.246 63.308 63.100 -0.063 0.000 0.768 98 P CB 0.837 32.504 31.700 -0.056 0.000 0.842 99 V N 3.038 122.869 119.914 -0.139 0.000 2.841 99 V HA 0.931 5.051 4.120 -0.000 0.000 0.310 99 V C 0.318 176.154 176.094 -0.430 0.000 1.090 99 V CA -0.163 61.991 62.300 -0.244 0.000 0.930 99 V CB 1.990 33.711 31.823 -0.170 0.000 1.014 99 V HN 0.872 nan 8.190 nan 0.000 0.425 100 G N 2.430 110.780 108.800 -0.750 0.000 2.350 100 G HA2 0.190 4.150 3.960 -0.000 0.000 0.305 100 G HA3 0.190 4.150 3.960 -0.000 0.000 0.305 100 G C -0.219 174.257 174.900 -0.707 0.000 1.479 100 G CA -0.430 44.081 45.100 -0.982 0.000 0.949 100 G HN 0.576 nan 8.290 nan 0.000 0.651 101 E N 0.004 119.881 120.200 -0.540 0.000 2.338 101 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 101 E C 1.877 178.436 176.600 -0.069 0.000 1.007 101 E CA 1.143 57.453 56.400 -0.150 0.000 0.849 101 E CB 0.142 29.838 29.700 -0.006 0.000 0.774 101 E HN 0.652 nan 8.360 nan 0.000 0.506 102 E N 0.470 120.602 120.200 -0.113 0.000 2.516 102 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 102 E C 1.292 177.862 176.600 -0.050 0.000 1.069 102 E CA 0.481 56.845 56.400 -0.060 0.000 0.876 102 E CB 0.063 29.724 29.700 -0.064 0.000 0.843 102 E HN 0.228 nan 8.360 nan 0.000 0.530 103 L N 0.691 121.878 121.223 -0.060 0.000 2.567 103 L HA 0.182 4.522 4.340 -0.000 0.000 0.225 103 L C 0.989 177.866 176.870 0.012 0.000 1.119 103 L CA 0.230 55.051 54.840 -0.032 0.000 0.871 103 L CB -0.168 41.861 42.059 -0.050 0.000 1.036 103 L HN 0.082 nan 8.230 nan 0.000 0.459 104 L N -0.013 121.232 121.223 0.037 0.000 2.485 104 L HA 0.206 4.546 4.340 -0.000 0.000 0.275 104 L C 1.557 178.442 176.870 0.025 0.000 1.207 104 L CA 0.639 55.516 54.840 0.061 0.000 0.855 104 L CB -0.201 41.921 42.059 0.106 0.000 1.114 104 L HN 0.460 nan 8.230 nan 0.000 0.485 105 G N 1.754 110.555 108.800 0.002 0.000 2.175 105 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.265 105 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.265 105 G C 0.238 175.128 174.900 -0.017 0.000 0.979 105 G CA -0.062 45.024 45.100 -0.024 0.000 0.663 105 G HN 0.483 nan 8.290 nan 0.000 0.533 106 R N -0.262 120.234 120.500 -0.007 0.000 2.445 106 R HA 0.578 4.918 4.340 -0.000 0.000 0.308 106 R C -0.201 176.098 176.300 -0.002 0.000 0.961 106 R CA -0.858 55.238 56.100 -0.007 0.000 0.862 106 R CB 1.789 32.084 30.300 -0.007 0.000 1.144 106 R HN 0.130 nan 8.270 nan 0.000 0.447 107 V N 4.179 124.092 119.914 -0.002 0.000 2.385 107 V HA 0.286 4.406 4.120 -0.000 0.000 0.269 107 V C 0.492 176.590 176.094 0.006 0.000 1.043 107 V CA -0.594 61.710 62.300 0.007 0.000 0.906 107 V CB 1.124 32.950 31.823 0.005 0.000 0.995 107 V HN 0.565 nan 8.190 nan 0.000 0.467 108 V N 1.871 121.790 119.914 0.008 0.000 3.046 108 V HA 0.832 4.952 4.120 -0.000 0.000 0.316 108 V C -0.346 175.750 176.094 0.003 0.000 1.104 108 V CA -0.965 61.336 62.300 0.002 0.000 1.006 108 V CB 2.128 33.946 31.823 -0.007 0.000 1.058 108 V HN 0.758 nan 8.190 nan 0.000 0.440 109 D N 1.866 122.266 120.400 -0.000 0.000 2.478 109 D HA 0.560 5.200 4.640 -0.000 0.000 0.274 109 D C 1.245 177.532 176.300 -0.022 0.000 1.234 109 D CA 0.034 54.033 54.000 -0.001 0.000 1.069 109 D CB 0.781 41.585 40.800 0.008 0.000 1.113 109 D HN 0.787 nan 8.370 nan 0.000 0.571 110 A N -0.679 122.120 122.820 -0.035 0.000 1.978 110 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 110 A C 2.226 179.739 177.584 -0.119 0.000 1.170 110 A CA 1.096 53.083 52.037 -0.083 0.000 0.636 110 A CB -0.999 17.939 19.000 -0.103 0.000 0.810 110 A HN 0.552 nan 8.150 nan 0.000 0.448 111 L N -1.847 119.322 121.223 -0.090 0.000 2.478 111 L HA 0.134 4.474 4.340 -0.000 0.000 0.223 111 L C 1.911 178.752 176.870 -0.050 0.000 1.140 111 L CA 0.657 55.448 54.840 -0.082 0.000 0.842 111 L CB -0.208 41.837 42.059 -0.023 0.000 0.953 111 L HN 0.609 nan 8.230 nan 0.000 0.452 112 G N -0.821 107.956 108.800 -0.039 0.000 2.232 112 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.226 112 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.226 112 G C 0.154 175.043 174.900 -0.019 0.000 0.996 112 G CA -0.316 44.765 45.100 -0.031 0.000 0.626 112 G HN 0.338 nan 8.290 nan 0.000 0.509 113 N N 1.688 120.382 118.700 -0.009 0.000 2.458 113 N HA 0.486 5.226 4.740 -0.000 0.000 0.258 113 N C 0.671 176.181 175.510 -0.001 0.000 1.219 113 N CA 0.776 53.825 53.050 -0.001 0.000 0.902 113 N CB 1.094 39.587 38.487 0.009 0.000 1.076 113 N HN 0.836 nan 8.380 nan 0.000 0.455 114 A N 1.727 124.546 122.820 -0.002 0.000 2.386 114 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 114 A C 1.213 178.799 177.584 0.004 0.000 1.082 114 A CA -0.317 51.719 52.037 -0.001 0.000 0.789 114 A CB -0.196 18.802 19.000 -0.003 0.000 1.025 114 A HN 0.823 nan 8.150 nan 0.000 0.490 115 I N -1.786 118.787 120.570 0.005 0.000 3.994 115 I HA 0.278 4.448 4.170 -0.000 0.000 0.323 115 I C -0.091 176.028 176.117 0.005 0.000 1.501 115 I CA -0.086 61.218 61.300 0.007 0.000 1.112 115 I CB 0.515 38.522 38.000 0.012 0.000 1.254 115 I HN 0.469 nan 8.210 nan 0.000 0.495 116 D N 0.929 121.330 120.400 0.001 0.000 2.433 116 D HA 0.147 4.787 4.640 -0.000 0.000 0.211 116 D C 1.243 177.541 176.300 -0.003 0.000 1.114 116 D CA 0.157 54.156 54.000 -0.002 0.000 0.837 116 D CB 0.272 41.068 40.800 -0.006 0.000 0.984 116 D HN 0.353 nan 8.370 nan 0.000 0.505 117 G N 1.434 110.233 108.800 -0.001 0.000 2.374 117 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.289 117 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.289 117 G C -0.056 174.842 174.900 -0.003 0.000 1.004 117 G CA 0.117 45.217 45.100 -0.001 0.000 1.292 117 G HN 0.418 nan 8.290 nan 0.000 0.502 118 K N 0.360 120.758 120.400 -0.003 0.000 3.350 118 K HA 0.523 4.843 4.320 -0.000 0.000 0.167 118 K C 0.501 177.099 176.600 -0.004 0.000 1.058 118 K CA -0.128 56.156 56.287 -0.004 0.000 0.783 118 K CB 0.921 33.417 32.500 -0.006 0.000 0.872 118 K HN 1.858 nan 8.250 nan 0.000 0.561 119 G N 2.751 111.549 108.800 -0.003 0.000 2.911 119 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 119 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 119 G C -2.707 172.191 174.900 -0.003 0.000 1.136 119 G CA -1.182 43.916 45.100 -0.003 0.000 0.764 119 G HN 0.111 nan 8.290 nan 0.000 0.626 120 P HA 0.283 nan 4.420 nan 0.000 0.231 120 P C 0.671 177.968 177.300 -0.005 0.000 1.756 120 P CA -0.201 62.898 63.100 -0.002 0.000 0.990 120 P CB -0.375 31.326 31.700 0.000 0.000 1.973 121 I N 0.132 120.697 120.570 -0.008 0.000 7.576 121 I HA -0.186 3.984 4.170 -0.000 0.000 0.126 121 I C 0.794 176.900 176.117 -0.018 0.000 1.681 121 I CA 0.641 61.932 61.300 -0.015 0.000 2.287 121 I CB -1.774 36.218 38.000 -0.014 0.000 3.377 121 I HN 0.400 nan 8.210 nan 0.000 0.239 122 G N 4.511 113.298 108.800 -0.021 0.000 3.444 122 G HA2 0.430 4.390 3.960 -0.000 0.000 0.315 122 G HA3 0.430 4.390 3.960 -0.000 0.000 0.315 122 G C 0.270 175.149 174.900 -0.034 0.000 1.079 122 G CA 0.165 45.252 45.100 -0.022 0.000 1.500 122 G HN 0.606 nan 8.290 nan 0.000 0.518 123 S N 0.747 116.423 115.700 -0.040 0.000 2.704 123 S HA 0.585 5.055 4.470 -0.000 0.000 0.305 123 S C 0.840 175.412 174.600 -0.047 0.000 1.107 123 S CA -0.738 57.425 58.200 -0.061 0.000 0.993 123 S CB 1.564 64.719 63.200 -0.075 0.000 1.110 123 S HN 0.394 nan 8.310 nan 0.000 0.534 124 K N 0.341 120.708 120.400 -0.054 0.000 2.477 124 K HA 0.481 4.801 4.320 -0.000 0.000 0.208 124 K C -0.349 176.237 176.600 -0.024 0.000 1.117 124 K CA -0.093 56.175 56.287 -0.030 0.000 1.039 124 K CB 1.278 33.767 32.500 -0.019 0.000 0.937 124 K HN 0.554 nan 8.250 nan 0.000 0.570 125 A N 1.220 124.014 122.820 -0.042 0.000 2.609 125 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 125 A C -1.429 176.131 177.584 -0.041 0.000 1.096 125 A CA -0.843 51.179 52.037 -0.025 0.000 0.684 125 A CB 1.385 20.388 19.000 0.005 0.000 1.282 125 A HN 0.086 nan 8.150 nan 0.000 0.412 126 R N 0.026 120.513 120.500 -0.021 0.000 2.673 126 R HA 0.684 5.024 4.340 -0.000 0.000 0.281 126 R C -0.801 175.493 176.300 -0.009 0.000 0.991 126 R CA -0.764 55.322 56.100 -0.023 0.000 0.896 126 R CB 2.836 33.127 30.300 -0.015 0.000 1.201 126 R HN 0.769 nan 8.270 nan 0.000 0.457 127 R N 1.609 122.103 120.500 -0.011 0.000 2.686 127 R HA 0.395 4.735 4.340 -0.000 0.000 0.283 127 R C -0.660 175.639 176.300 -0.001 0.000 0.978 127 R CA -0.808 55.294 56.100 0.002 0.000 0.897 127 R CB 1.740 32.047 30.300 0.011 0.000 1.192 127 R HN 0.538 nan 8.270 nan 0.000 0.457 128 R N 1.402 121.904 120.500 0.003 0.000 2.643 128 R HA 0.036 4.376 4.340 -0.000 0.000 0.270 128 R C 1.268 177.565 176.300 -0.005 0.000 1.061 128 R CA 0.078 56.178 56.100 -0.001 0.000 1.107 128 R CB 0.804 31.104 30.300 0.001 0.000 0.999 128 R HN 0.557 nan 8.270 nan 0.000 0.460 129 V N -0.500 119.403 119.914 -0.020 0.000 3.406 129 V HA 0.170 4.290 4.120 -0.000 0.000 0.263 129 V C 1.114 177.169 176.094 -0.065 0.000 1.172 129 V CA 1.412 63.698 62.300 -0.024 0.000 1.140 129 V CB 0.360 32.152 31.823 -0.051 0.000 0.784 129 V HN 0.866 nan 8.190 nan 0.000 0.467 130 G N 0.429 109.187 108.800 -0.072 0.000 3.605 130 G HA2 0.392 4.352 3.960 -0.000 0.000 0.277 130 G HA3 0.392 4.352 3.960 -0.000 0.000 0.277 130 G C 0.288 175.161 174.900 -0.045 0.000 1.093 130 G CA -0.444 44.596 45.100 -0.099 0.000 0.821 130 G HN 0.433 nan 8.290 nan 0.000 0.532 131 L N 0.908 122.122 121.223 -0.016 0.000 2.490 131 L HA 0.176 4.516 4.340 -0.000 0.000 0.274 131 L C 0.908 177.780 176.870 0.003 0.000 1.201 131 L CA -0.086 54.754 54.840 0.001 0.000 0.869 131 L CB 0.780 42.846 42.059 0.011 0.000 1.123 131 L HN 0.080 nan 8.230 nan 0.000 0.484 132 K N 2.107 122.513 120.400 0.009 0.000 2.219 132 K HA 0.399 4.719 4.320 -0.000 0.000 0.258 132 K C -0.036 176.572 176.600 0.012 0.000 1.008 132 K CA -0.442 55.855 56.287 0.017 0.000 0.928 132 K CB 0.948 33.463 32.500 0.026 0.000 0.983 132 K HN 0.679 nan 8.250 nan 0.000 0.484 133 A N 4.099 126.929 122.820 0.016 0.000 2.445 133 A HA 0.272 4.592 4.320 -0.000 0.000 0.242 133 A C -2.200 175.377 177.584 -0.013 0.000 1.075 133 A CA -1.143 50.898 52.037 0.006 0.000 0.777 133 A CB -0.379 18.628 19.000 0.012 0.000 1.013 133 A HN 0.581 nan 8.150 nan 0.000 0.493 134 P HA 0.203 nan 4.420 nan 0.000 0.267 134 P C 0.749 178.002 177.300 -0.079 0.000 1.200 134 P CA 0.588 63.639 63.100 -0.082 0.000 0.772 134 P CB 0.533 32.170 31.700 -0.106 0.000 0.855 135 G N 1.239 109.975 108.800 -0.107 0.000 2.516 135 G HA2 0.107 4.067 3.960 -0.000 0.000 0.276 135 G HA3 0.107 4.067 3.960 -0.000 0.000 0.276 135 G C 1.080 175.930 174.900 -0.083 0.000 1.390 135 G CA -0.563 44.490 45.100 -0.078 0.000 1.050 135 G HN 0.419 nan 8.290 nan 0.000 0.519 136 I N -0.117 120.420 120.570 -0.054 0.000 2.163 136 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 136 I C 2.635 178.720 176.117 -0.053 0.000 1.081 136 I CA 0.639 61.916 61.300 -0.039 0.000 1.353 136 I CB -0.240 37.751 38.000 -0.015 0.000 1.054 136 I HN 0.263 nan 8.210 nan 0.000 0.407 137 I N 1.126 121.664 120.570 -0.054 0.000 2.118 137 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 137 I C -0.059 175.996 176.117 -0.103 0.000 1.070 137 I CA 2.163 63.444 61.300 -0.031 0.000 1.327 137 I CB -2.916 35.095 38.000 0.019 0.000 1.034 137 I HN 0.159 nan 8.210 nan 0.000 0.405 138 P HA -0.085 nan 4.420 nan 0.000 0.222 138 P C 0.460 177.609 177.300 -0.251 0.000 1.147 138 P CA 1.101 63.786 63.100 -0.691 0.000 0.790 138 P CB 0.068 31.162 31.700 -1.009 0.000 0.780 139 R N -0.525 119.892 120.500 -0.138 0.000 2.543 139 R HA 0.588 4.928 4.340 -0.000 0.000 0.268 139 R C -0.189 176.105 176.300 -0.010 0.000 1.067 139 R CA -0.598 55.468 56.100 -0.057 0.000 1.142 139 R CB 0.539 30.811 30.300 -0.047 0.000 1.110 139 R HN -0.045 nan 8.270 nan 0.000 0.549 140 I N -1.117 119.455 120.570 0.005 0.000 3.093 140 I HA 0.154 4.324 4.170 -0.000 0.000 0.308 140 I C -0.880 175.241 176.117 0.007 0.000 1.303 140 I CA -0.302 61.007 61.300 0.016 0.000 0.975 140 I CB 2.510 40.530 38.000 0.034 0.000 1.286 140 I HN 0.557 nan 8.210 nan 0.000 0.459 141 S N 3.178 118.882 115.700 0.006 0.000 2.558 141 S HA 0.357 4.827 4.470 -0.000 0.000 0.288 141 S C -0.089 174.506 174.600 -0.008 0.000 1.318 141 S CA -0.303 57.897 58.200 -0.001 0.000 1.056 141 S CB 0.354 63.555 63.200 0.001 0.000 0.853 141 S HN 0.720 nan 8.310 nan 0.000 0.505 142 V N 2.039 121.943 119.914 -0.017 0.000 2.924 142 V HA 0.555 4.675 4.120 -0.000 0.000 0.305 142 V C 0.958 177.031 176.094 -0.035 0.000 1.073 142 V CA -0.276 62.004 62.300 -0.033 0.000 1.098 142 V CB 0.663 32.464 31.823 -0.037 0.000 1.000 142 V HN 1.070 nan 8.190 nan 0.000 0.484 143 R N 0.999 121.468 120.500 -0.053 0.000 2.834 143 R HA 0.189 4.529 4.340 -0.000 0.000 0.129 143 R C 0.132 176.389 176.300 -0.072 0.000 0.870 143 R CA -0.157 55.915 56.100 -0.048 0.000 1.989 143 R CB -0.112 30.169 30.300 -0.031 0.000 1.647 143 R HN 0.721 nan 8.270 nan 0.000 0.512 144 E N 6.223 126.357 120.200 -0.111 0.000 2.328 144 E HA 0.185 4.535 4.350 -0.000 0.000 0.265 144 E C -2.161 174.340 176.600 -0.165 0.000 1.057 144 E CA -1.683 54.622 56.400 -0.158 0.000 0.916 144 E CB 0.696 30.236 29.700 -0.266 0.000 0.993 144 E HN 0.170 nan 8.360 nan 0.000 0.446 145 P HA -0.049 nan 4.420 nan 0.000 0.271 145 P C -0.578 176.610 177.300 -0.186 0.000 1.220 145 P CA -0.029 62.994 63.100 -0.130 0.000 0.768 145 P CB 0.678 32.323 31.700 -0.092 0.000 0.848 146 M N 4.269 123.781 119.600 -0.146 0.000 2.495 146 M HA 0.114 4.594 4.480 -0.000 0.000 0.346 146 M C -0.094 176.148 176.300 -0.097 0.000 1.251 146 M CA -0.434 54.773 55.300 -0.155 0.000 1.249 146 M CB -0.105 32.426 32.600 -0.115 0.000 1.229 146 M HN 0.304 nan 8.290 nan 0.000 0.450 147 Q N 2.435 122.171 119.800 -0.107 0.000 2.262 147 Q HA 0.089 4.429 4.340 -0.000 0.000 0.272 147 Q C 1.286 177.321 176.000 0.058 0.000 1.076 147 Q CA 0.276 56.091 55.803 0.020 0.000 0.905 147 Q CB 0.451 29.283 28.738 0.156 0.000 1.182 147 Q HN 0.710 nan 8.270 nan 0.000 0.390 148 T N -1.449 113.132 114.554 0.046 0.000 3.054 148 T HA 0.140 4.490 4.350 -0.000 0.000 0.259 148 T C 1.277 176.015 174.700 0.063 0.000 1.092 148 T CA 0.546 62.674 62.100 0.048 0.000 1.121 148 T CB 0.192 69.078 68.868 0.031 0.000 0.912 148 T HN 0.774 nan 8.240 nan 0.000 0.489 149 G N 1.485 110.326 108.800 0.068 0.000 2.176 149 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 149 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 149 G C 0.041 174.964 174.900 0.039 0.000 0.979 149 G CA 0.091 45.225 45.100 0.057 0.000 0.641 149 G HN 0.652 nan 8.290 nan 0.000 0.530 150 I N 0.968 121.560 120.570 0.036 0.000 2.304 150 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 150 I C 1.601 177.737 176.117 0.032 0.000 1.018 150 I CA -0.725 60.592 61.300 0.030 0.000 1.260 150 I CB 1.381 39.397 38.000 0.027 0.000 1.390 150 I HN -0.005 nan 8.210 nan 0.000 0.475 151 K N 4.401 124.820 120.400 0.031 0.000 1.987 151 K HA -0.253 4.067 4.320 -0.000 0.000 0.216 151 K C 2.120 178.740 176.600 0.033 0.000 1.051 151 K CA 2.130 58.438 56.287 0.034 0.000 0.942 151 K CB -0.230 32.291 32.500 0.035 0.000 0.722 151 K HN 0.817 nan 8.250 nan 0.000 0.444 152 A N 0.856 123.696 122.820 0.033 0.000 1.940 152 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 152 A C 2.365 179.970 177.584 0.035 0.000 1.190 152 A CA 2.214 54.272 52.037 0.034 0.000 0.647 152 A CB -0.917 18.107 19.000 0.039 0.000 0.821 152 A HN 0.144 nan 8.150 nan 0.000 0.457 153 V N 0.369 120.303 119.914 0.034 0.000 2.231 153 V HA -0.197 3.923 4.120 -0.000 0.000 0.240 153 V C 2.145 178.255 176.094 0.028 0.000 1.039 153 V CA 2.045 64.364 62.300 0.032 0.000 0.998 153 V CB -0.946 30.895 31.823 0.030 0.000 0.639 153 V HN 0.516 nan 8.190 nan 0.000 0.451 154 D N 0.672 121.088 120.400 0.027 0.000 2.228 154 D HA -0.150 4.490 4.640 -0.000 0.000 0.203 154 D C 2.346 178.660 176.300 0.024 0.000 0.988 154 D CA 1.881 55.895 54.000 0.024 0.000 0.864 154 D CB -0.127 40.691 40.800 0.030 0.000 0.928 154 D HN 0.631 nan 8.370 nan 0.000 0.469 155 S N -0.220 115.496 115.700 0.027 0.000 2.371 155 S HA 0.018 4.488 4.470 -0.000 0.000 0.219 155 S C 2.199 176.812 174.600 0.022 0.000 1.040 155 S CA 0.172 58.388 58.200 0.026 0.000 0.958 155 S CB -0.459 62.758 63.200 0.028 0.000 0.860 155 S HN 0.187 nan 8.310 nan 0.000 0.487 156 L N 0.942 122.180 121.223 0.024 0.000 2.145 156 L HA 0.301 4.641 4.340 -0.000 0.000 0.201 156 L C 0.212 177.096 176.870 0.025 0.000 1.075 156 L CA 0.345 55.199 54.840 0.023 0.000 0.773 156 L CB -0.074 42.002 42.059 0.027 0.000 0.936 156 L HN 0.173 nan 8.230 nan 0.000 0.451 157 V N 1.122 121.053 119.914 0.028 0.000 2.235 157 V HA 0.293 4.413 4.120 -0.000 0.000 0.266 157 V C -2.410 173.696 176.094 0.020 0.000 1.055 157 V CA -1.454 60.863 62.300 0.029 0.000 0.844 157 V CB 0.365 32.213 31.823 0.042 0.000 1.097 157 V HN -0.012 nan 8.190 nan 0.000 0.453 158 P HA 0.232 nan 4.420 nan 0.000 0.271 158 P C -0.531 176.767 177.300 -0.003 0.000 1.216 158 P CA 0.122 63.224 63.100 0.004 0.000 0.771 158 P CB 0.650 32.351 31.700 0.002 0.000 0.864 159 I N 2.204 122.766 120.570 -0.012 0.000 2.493 159 I HA 0.542 4.712 4.170 -0.000 0.000 0.298 159 I C 0.914 177.005 176.117 -0.044 0.000 0.998 159 I CA -0.513 60.773 61.300 -0.023 0.000 1.137 159 I CB 1.284 39.271 38.000 -0.023 0.000 1.310 159 I HN 0.360 nan 8.210 nan 0.000 0.445 160 G N 4.633 113.404 108.800 -0.049 0.000 2.448 160 G HA2 0.541 4.501 3.960 -0.000 0.000 0.324 160 G HA3 0.541 4.501 3.960 -0.000 0.000 0.324 160 G C -0.454 174.392 174.900 -0.091 0.000 1.203 160 G CA -0.879 44.177 45.100 -0.073 0.000 0.954 160 G HN 0.510 nan 8.290 nan 0.000 0.480 161 R N 0.476 120.892 120.500 -0.141 0.000 2.399 161 R HA 0.395 4.735 4.340 -0.000 0.000 0.324 161 R C 1.073 177.302 176.300 -0.118 0.000 1.030 161 R CA 1.139 57.136 56.100 -0.171 0.000 0.984 161 R CB 0.511 30.610 30.300 -0.335 0.000 0.961 161 R HN 1.103 nan 8.270 nan 0.000 0.433 162 G N 1.840 110.602 108.800 -0.064 0.000 2.143 162 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.175 162 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.175 162 G C -0.137 174.751 174.900 -0.020 0.000 1.004 162 G CA -0.375 44.709 45.100 -0.028 0.000 0.671 162 G HN 0.567 nan 8.290 nan 0.000 0.512 163 Q N -0.392 119.393 119.800 -0.025 0.000 2.297 163 Q HA 0.755 5.095 4.340 -0.000 0.000 0.268 163 Q C -0.490 175.505 176.000 -0.009 0.000 1.045 163 Q CA -1.107 54.686 55.803 -0.016 0.000 0.861 163 Q CB 0.989 29.715 28.738 -0.021 0.000 1.344 163 Q HN 0.203 nan 8.270 nan 0.000 0.452 164 R N 2.097 122.595 120.500 -0.004 0.000 2.239 164 R HA 0.302 4.642 4.340 -0.000 0.000 0.332 164 R C -1.318 174.978 176.300 -0.008 0.000 0.988 164 R CA -0.476 55.623 56.100 -0.001 0.000 0.859 164 R CB 1.308 31.606 30.300 -0.003 0.000 1.148 164 R HN 0.432 nan 8.270 nan 0.000 0.482 165 E N 2.512 122.706 120.200 -0.010 0.000 2.158 165 E HA 0.337 4.687 4.350 -0.000 0.000 0.271 165 E C -1.476 175.108 176.600 -0.027 0.000 0.911 165 E CA -0.940 55.452 56.400 -0.012 0.000 0.767 165 E CB 1.065 30.761 29.700 -0.007 0.000 1.120 165 E HN 0.328 nan 8.360 nan 0.000 0.405 166 L N 5.424 126.621 121.223 -0.043 0.000 2.289 166 L HA 0.460 4.800 4.340 -0.000 0.000 0.285 166 L C -1.135 175.681 176.870 -0.091 0.000 1.049 166 L CA -0.408 54.384 54.840 -0.081 0.000 0.804 166 L CB 0.861 42.849 42.059 -0.118 0.000 1.195 166 L HN 0.533 nan 8.230 nan 0.000 0.428 167 I N 7.211 127.726 120.570 -0.091 0.000 2.307 167 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 167 I C -0.078 175.958 176.117 -0.135 0.000 1.054 167 I CA -0.114 61.134 61.300 -0.085 0.000 1.218 167 I CB 0.521 38.493 38.000 -0.047 0.000 1.398 167 I HN 0.605 nan 8.210 nan 0.000 0.475 168 I N 4.947 125.392 120.570 -0.209 0.000 2.474 168 I HA 0.859 5.029 4.170 -0.000 0.000 0.294 168 I C 0.025 176.015 176.117 -0.212 0.000 1.005 168 I CA 0.070 61.211 61.300 -0.266 0.000 1.113 168 I CB 1.990 39.711 38.000 -0.465 0.000 1.289 168 I HN 0.661 nan 8.210 nan 0.000 0.436 169 G N 5.583 114.297 108.800 -0.143 0.000 2.349 169 G HA2 0.171 4.131 3.960 -0.000 0.000 0.294 169 G HA3 0.171 4.131 3.960 -0.000 0.000 0.294 169 G C -1.846 173.016 174.900 -0.063 0.000 1.380 169 G CA -0.688 44.363 45.100 -0.081 0.000 0.811 169 G HN 0.521 nan 8.290 nan 0.000 0.519 170 D N -0.207 120.165 120.400 -0.047 0.000 2.478 170 D HA 0.342 4.982 4.640 -0.000 0.000 0.269 170 D C 0.657 176.923 176.300 -0.057 0.000 1.232 170 D CA -0.275 53.701 54.000 -0.040 0.000 1.059 170 D CB 0.867 41.648 40.800 -0.031 0.000 1.104 170 D HN 0.618 nan 8.370 nan 0.000 0.566 171 R N -0.065 120.410 120.500 -0.041 0.000 2.594 171 R HA 0.063 4.403 4.340 -0.000 0.000 0.272 171 R C -0.090 176.154 176.300 -0.094 0.000 1.074 171 R CA -0.324 55.747 56.100 -0.048 0.000 1.105 171 R CB 0.350 30.642 30.300 -0.014 0.000 1.008 171 R HN 0.218 nan 8.270 nan 0.000 0.472 172 Q N -0.410 119.306 119.800 -0.140 0.000 2.494 172 Q HA -0.164 4.176 4.340 -0.000 0.000 0.272 172 Q C 0.375 175.993 176.000 -0.636 0.000 1.145 172 Q CA 1.760 57.394 55.803 -0.281 0.000 0.943 172 Q CB -2.238 26.412 28.738 -0.148 0.000 1.338 172 Q HN 1.030 nan 8.270 nan 0.000 0.492 173 T N -4.712 109.584 114.554 -0.430 0.000 3.086 173 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 173 T C 1.276 175.779 174.700 -0.329 0.000 1.074 173 T CA 0.912 62.754 62.100 -0.430 0.000 0.988 173 T CB 0.786 69.562 68.868 -0.153 0.000 0.988 173 T HN 0.923 nan 8.240 nan 0.000 0.530 174 G N 1.699 110.332 108.800 -0.279 0.000 2.132 174 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.228 174 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.228 174 G C 0.689 175.572 174.900 -0.028 0.000 1.000 174 G CA 0.364 45.416 45.100 -0.079 0.000 0.693 174 G HN 0.539 nan 8.290 nan 0.000 0.515 175 K N -0.357 120.016 120.400 -0.044 0.000 1.973 175 K HA -0.049 4.271 4.320 -0.000 0.000 0.212 175 K C 2.623 179.228 176.600 0.008 0.000 1.047 175 K CA 1.927 58.203 56.287 -0.019 0.000 0.937 175 K CB -0.508 31.972 32.500 -0.033 0.000 0.721 175 K HN 0.275 nan 8.250 nan 0.000 0.440 176 T N 1.240 115.807 114.554 0.022 0.000 2.721 176 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 176 T C 2.080 176.805 174.700 0.042 0.000 1.038 176 T CA 1.734 63.877 62.100 0.071 0.000 1.145 176 T CB -0.307 68.613 68.868 0.087 0.000 0.858 176 T HN 0.165 nan 8.240 nan 0.000 0.459 177 S N 0.979 116.680 115.700 0.002 0.000 2.370 177 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 177 S C 2.026 176.608 174.600 -0.031 0.000 1.033 177 S CA 0.913 59.088 58.200 -0.043 0.000 1.011 177 S CB -0.429 62.731 63.200 -0.066 0.000 0.852 177 S HN 0.453 nan 8.310 nan 0.000 0.457 178 I N 1.712 122.280 120.570 -0.003 0.000 2.163 178 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 178 I C 2.759 178.891 176.117 0.025 0.000 1.085 178 I CA 1.202 62.508 61.300 0.009 0.000 1.347 178 I CB -0.627 37.384 38.000 0.017 0.000 1.044 178 I HN 0.282 nan 8.210 nan 0.000 0.408 179 A N 1.288 124.135 122.820 0.045 0.000 1.892 179 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 179 A C 2.194 179.820 177.584 0.069 0.000 1.188 179 A CA 1.671 53.755 52.037 0.078 0.000 0.631 179 A CB -0.687 18.405 19.000 0.154 0.000 0.822 179 A HN 0.335 nan 8.150 nan 0.000 0.447 180 I N 0.420 121.014 120.570 0.040 0.000 2.226 180 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 180 I C 1.849 177.999 176.117 0.056 0.000 1.100 180 I CA 1.834 63.149 61.300 0.025 0.000 1.374 180 I CB -1.834 36.184 38.000 0.030 0.000 1.057 180 I HN 0.280 nan 8.210 nan 0.000 0.413 181 D N 0.558 120.978 120.400 0.034 0.000 2.144 181 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 181 D C 2.204 178.543 176.300 0.064 0.000 0.984 181 D CA 1.549 55.574 54.000 0.041 0.000 0.834 181 D CB -0.125 40.678 40.800 0.004 0.000 0.955 181 D HN 0.240 nan 8.370 nan 0.000 0.465 182 T N 0.362 114.952 114.554 0.060 0.000 2.708 182 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 182 T C 2.085 176.844 174.700 0.099 0.000 1.037 182 T CA 0.637 62.778 62.100 0.068 0.000 1.146 182 T CB -0.201 68.698 68.868 0.050 0.000 0.865 182 T HN 0.151 nan 8.240 nan 0.000 0.435 183 I N 0.646 121.284 120.570 0.113 0.000 2.113 183 I HA -0.150 4.020 4.170 -0.000 0.000 0.238 183 I C 2.349 178.611 176.117 0.242 0.000 1.070 183 I CA 1.436 62.843 61.300 0.178 0.000 1.332 183 I CB -0.469 37.606 38.000 0.126 0.000 1.044 183 I HN 0.204 nan 8.210 nan 0.000 0.402 184 I N 1.039 121.708 120.570 0.166 0.000 2.145 184 I HA -0.386 3.784 4.170 -0.000 0.000 0.244 184 I C 2.381 178.593 176.117 0.160 0.000 1.075 184 I CA 2.128 63.527 61.300 0.165 0.000 1.332 184 I CB -0.739 37.333 38.000 0.120 0.000 1.033 184 I HN 0.385 nan 8.210 nan 0.000 0.410 185 N N 0.833 119.603 118.700 0.117 0.000 2.137 185 N HA -0.282 4.458 4.740 -0.000 0.000 0.190 185 N C 1.852 177.414 175.510 0.087 0.000 1.017 185 N CA 1.489 54.587 53.050 0.081 0.000 0.859 185 N CB -0.105 38.442 38.487 0.099 0.000 1.002 185 N HN 0.161 nan 8.380 nan 0.000 0.428 186 Q N 0.693 120.574 119.800 0.136 0.000 2.297 186 Q HA -0.111 4.229 4.340 -0.000 0.000 0.208 186 Q C 1.697 177.609 176.000 -0.147 0.000 0.981 186 Q CA 1.040 56.896 55.803 0.087 0.000 0.876 186 Q CB -0.264 28.424 28.738 -0.084 0.000 0.921 186 Q HN 0.477 nan 8.270 nan 0.000 0.446 187 K N 0.435 120.799 120.400 -0.061 0.000 2.103 187 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 187 K C 1.907 178.430 176.600 -0.128 0.000 1.048 187 K CA 1.488 57.753 56.287 -0.037 0.000 0.930 187 K CB -0.098 32.514 32.500 0.187 0.000 0.716 187 K HN 0.263 nan 8.250 nan 0.000 0.444 188 R N -0.243 120.130 120.500 -0.211 0.000 2.105 188 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 188 R C 1.772 177.832 176.300 -0.401 0.000 1.135 188 R CA 1.682 57.569 56.100 -0.354 0.000 0.967 188 R CB -0.701 29.280 30.300 -0.532 0.000 0.861 188 R HN 0.166 nan 8.270 nan 0.000 0.442 189 F N 1.784 121.643 119.950 -0.152 0.000 2.179 189 F HA 0.088 4.615 4.527 -0.000 0.000 0.292 189 F C 2.271 177.948 175.800 -0.205 0.000 1.089 189 F CA 0.680 58.582 58.000 -0.164 0.000 1.295 189 F CB -0.667 38.224 39.000 -0.182 0.000 1.041 189 F HN -0.032 nan 8.300 nan 0.000 0.487 190 N N 0.197 118.819 118.700 -0.129 0.000 2.272 190 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 190 N C 0.275 175.723 175.510 -0.102 0.000 1.014 190 N CA 1.268 54.173 53.050 -0.241 0.000 0.870 190 N CB -0.464 37.702 38.487 -0.536 0.000 0.975 190 N HN 0.251 nan 8.380 nan 0.000 0.433 191 D N -0.043 120.312 120.400 -0.075 0.000 2.706 191 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 191 D C 0.893 177.171 176.300 -0.037 0.000 1.231 191 D CA -0.018 53.962 54.000 -0.034 0.000 0.828 191 D CB -0.062 40.722 40.800 -0.027 0.000 1.015 191 D HN 0.151 nan 8.370 nan 0.000 0.484 192 G N -1.205 107.578 108.800 -0.029 0.000 2.990 192 G HA2 0.371 4.331 3.960 -0.000 0.000 0.208 192 G HA3 0.371 4.331 3.960 -0.000 0.000 0.208 192 G C 0.747 175.646 174.900 -0.002 0.000 1.334 192 G CA -0.203 44.888 45.100 -0.015 0.000 1.024 192 G HN 0.062 nan 8.290 nan 0.000 0.574 193 T N -0.750 113.807 114.554 0.006 0.000 3.026 193 T HA 0.125 4.475 4.350 -0.000 0.000 0.245 193 T C 0.298 175.006 174.700 0.013 0.000 1.004 193 T CA 0.220 62.326 62.100 0.009 0.000 1.069 193 T CB 0.099 68.971 68.868 0.007 0.000 1.005 193 T HN 0.397 nan 8.240 nan 0.000 0.472 194 D N 2.583 122.993 120.400 0.018 0.000 2.348 194 D HA 0.083 4.723 4.640 -0.000 0.000 0.259 194 D C 1.205 177.510 176.300 0.009 0.000 1.296 194 D CA 0.027 54.038 54.000 0.018 0.000 0.931 194 D CB 0.536 41.353 40.800 0.029 0.000 1.067 194 D HN 0.023 nan 8.370 nan 0.000 0.503 195 E N 3.031 123.234 120.200 0.005 0.000 2.204 195 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 195 E C 1.265 177.847 176.600 -0.031 0.000 0.990 195 E CA 0.842 57.239 56.400 -0.005 0.000 0.821 195 E CB 0.066 29.779 29.700 0.022 0.000 0.750 195 E HN 0.605 nan 8.360 nan 0.000 0.477 196 K N 0.526 120.919 120.400 -0.012 0.000 2.365 196 K HA -0.037 4.283 4.320 -0.000 0.000 0.199 196 K C 1.921 178.558 176.600 0.062 0.000 1.045 196 K CA 0.658 56.952 56.287 0.011 0.000 0.962 196 K CB 0.125 32.649 32.500 0.041 0.000 0.759 196 K HN -0.023 nan 8.250 nan 0.000 0.469 197 K N 0.772 121.170 120.400 -0.004 0.000 2.334 197 K HA 0.064 4.384 4.320 -0.000 0.000 0.195 197 K C 0.086 176.591 176.600 -0.158 0.000 1.045 197 K CA 0.145 56.385 56.287 -0.079 0.000 1.004 197 K CB 0.406 32.916 32.500 0.017 0.000 0.837 197 K HN 0.027 nan 8.250 nan 0.000 0.510 198 K N 1.318 121.636 120.400 -0.135 0.000 2.414 198 K HA 0.089 4.409 4.320 -0.000 0.000 0.272 198 K C -0.612 175.762 176.600 -0.377 0.000 0.993 198 K CA -0.029 56.084 56.287 -0.290 0.000 0.964 198 K CB 0.541 32.803 32.500 -0.397 0.000 0.925 198 K HN -0.138 nan 8.250 nan 0.000 0.487 199 L N 3.510 124.436 121.223 -0.496 0.000 2.491 199 L HA 0.275 4.615 4.340 -0.000 0.000 0.267 199 L C -1.659 174.937 176.870 -0.457 0.000 0.971 199 L CA -0.421 54.192 54.840 -0.378 0.000 0.857 199 L CB 0.786 42.698 42.059 -0.246 0.000 1.226 199 L HN 0.422 nan 8.230 nan 0.000 0.408 200 Y N 3.178 123.328 120.300 -0.249 0.000 2.346 200 Y HA 0.467 5.017 4.550 -0.000 0.000 0.330 200 Y C 0.624 176.436 175.900 -0.146 0.000 1.178 200 Y CA -0.060 57.874 58.100 -0.277 0.000 1.331 200 Y CB 0.806 38.783 38.460 -0.806 0.000 1.253 200 Y HN 0.529 nan 8.280 nan 0.000 0.529 201 C N 3.882 123.286 119.300 0.173 0.000 2.435 201 C HA 0.746 5.206 4.460 -0.000 0.000 0.333 201 C C -0.409 174.638 174.990 0.095 0.000 1.202 201 C CA -0.990 58.103 59.018 0.126 0.000 1.830 201 C CB 0.511 28.368 27.740 0.194 0.000 2.326 201 C HN 0.573 nan 8.230 nan 0.000 0.507 202 I N 2.008 122.612 120.570 0.056 0.000 2.500 202 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 202 I C -0.849 175.278 176.117 0.015 0.000 1.063 202 I CA -0.217 61.108 61.300 0.041 0.000 1.062 202 I CB 0.773 38.782 38.000 0.016 0.000 1.223 202 I HN 0.633 nan 8.210 nan 0.000 0.435 203 Y N 6.714 126.974 120.300 -0.066 0.000 2.331 203 Y HA 0.709 5.259 4.550 -0.000 0.000 0.338 203 Y C -0.746 175.111 175.900 -0.072 0.000 0.976 203 Y CA -0.727 57.325 58.100 -0.080 0.000 1.137 203 Y CB 1.234 39.665 38.460 -0.049 0.000 1.172 203 Y HN 0.302 nan 8.280 nan 0.000 0.478 204 V N 6.516 126.135 119.914 -0.492 0.000 2.347 204 V HA 0.597 4.717 4.120 -0.000 0.000 0.280 204 V C -0.112 175.732 176.094 -0.418 0.000 1.021 204 V CA -0.740 61.377 62.300 -0.305 0.000 0.847 204 V CB 0.905 32.618 31.823 -0.184 0.000 0.990 204 V HN 0.924 nan 8.190 nan 0.000 0.444 205 A N 7.309 130.029 122.820 -0.165 0.000 2.260 205 A HA 0.768 5.088 4.320 -0.000 0.000 0.312 205 A C -0.370 177.198 177.584 -0.027 0.000 1.321 205 A CA -0.286 51.720 52.037 -0.052 0.000 0.928 205 A CB -0.064 19.020 19.000 0.140 0.000 1.158 205 A HN 0.795 nan 8.150 nan 0.000 0.542 206 I N 2.423 122.971 120.570 -0.036 0.000 2.362 206 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 206 I C 1.303 177.434 176.117 0.024 0.000 0.994 206 I CA -0.059 61.239 61.300 -0.004 0.000 1.158 206 I CB 1.578 39.568 38.000 -0.016 0.000 1.315 206 I HN 0.925 nan 8.210 nan 0.000 0.451 207 G N 4.155 112.980 108.800 0.041 0.000 2.186 207 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.266 207 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.266 207 G C 0.385 175.314 174.900 0.047 0.000 0.982 207 G CA 0.218 45.347 45.100 0.049 0.000 0.670 207 G HN 0.665 nan 8.290 nan 0.000 0.533 208 Q N -0.371 119.459 119.800 0.050 0.000 2.414 208 Q HA 0.465 4.805 4.340 -0.000 0.000 0.206 208 Q C 0.455 176.486 176.000 0.052 0.000 1.058 208 Q CA -0.178 55.659 55.803 0.057 0.000 1.025 208 Q CB 0.611 29.398 28.738 0.081 0.000 1.196 208 Q HN 0.394 nan 8.270 nan 0.000 0.586 209 K N 0.821 121.250 120.400 0.049 0.000 2.144 209 K HA 0.201 4.521 4.320 -0.000 0.000 0.270 209 K C 1.061 177.685 176.600 0.041 0.000 1.005 209 K CA -0.615 55.697 56.287 0.041 0.000 0.932 209 K CB 0.930 33.451 32.500 0.035 0.000 1.021 209 K HN 0.348 nan 8.250 nan 0.000 0.462 210 R N 0.927 121.448 120.500 0.034 0.000 2.091 210 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 210 R C 1.876 178.191 176.300 0.025 0.000 1.136 210 R CA 1.597 57.715 56.100 0.030 0.000 0.959 210 R CB -0.584 29.731 30.300 0.024 0.000 0.856 210 R HN 0.645 nan 8.270 nan 0.000 0.437 211 S N 0.432 116.145 115.700 0.022 0.000 2.359 211 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 211 S C 2.066 176.676 174.600 0.016 0.000 1.039 211 S CA 2.172 60.382 58.200 0.016 0.000 1.042 211 S CB -0.599 62.612 63.200 0.018 0.000 0.915 211 S HN 0.399 nan 8.310 nan 0.000 0.439 212 T N 2.508 117.077 114.554 0.025 0.000 2.684 212 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 212 T C 2.006 176.717 174.700 0.018 0.000 1.036 212 T CA 1.496 63.612 62.100 0.027 0.000 1.148 212 T CB -0.652 68.243 68.868 0.044 0.000 0.863 212 T HN 0.245 nan 8.240 nan 0.000 0.436 213 V N 1.828 121.764 119.914 0.036 0.000 2.407 213 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 213 V C 2.912 179.005 176.094 -0.002 0.000 1.055 213 V CA 1.569 63.891 62.300 0.036 0.000 1.049 213 V CB -1.352 30.511 31.823 0.067 0.000 0.662 213 V HN 0.544 nan 8.190 nan 0.000 0.455 214 A N -0.344 122.476 122.820 0.000 0.000 1.873 214 A HA -0.265 4.055 4.320 -0.000 0.000 0.215 214 A C 2.192 179.759 177.584 -0.029 0.000 1.186 214 A CA 1.842 53.872 52.037 -0.012 0.000 0.616 214 A CB -0.507 18.490 19.000 -0.005 0.000 0.823 214 A HN 0.586 nan 8.150 nan 0.000 0.442 215 Q N -0.725 119.060 119.800 -0.025 0.000 2.291 215 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 215 Q C 1.992 177.957 176.000 -0.058 0.000 0.970 215 Q CA 0.738 56.519 55.803 -0.036 0.000 0.876 215 Q CB -0.164 28.563 28.738 -0.018 0.000 0.935 215 Q HN 0.558 nan 8.270 nan 0.000 0.455 216 L N 0.710 121.891 121.223 -0.069 0.000 2.005 216 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 216 L C 2.357 179.143 176.870 -0.141 0.000 1.072 216 L CA 1.781 56.543 54.840 -0.129 0.000 0.744 216 L CB -0.928 41.011 42.059 -0.200 0.000 0.895 216 L HN 0.271 nan 8.230 nan 0.000 0.433 217 V N -2.048 117.798 119.914 -0.112 0.000 2.407 217 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 217 V C 2.660 178.696 176.094 -0.096 0.000 1.055 217 V CA 1.586 63.825 62.300 -0.102 0.000 1.049 217 V CB -0.931 30.853 31.823 -0.065 0.000 0.662 217 V HN 0.310 nan 8.190 nan 0.000 0.455 218 K N 1.023 121.374 120.400 -0.082 0.000 2.057 218 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 218 K C 2.411 178.948 176.600 -0.104 0.000 1.049 218 K CA 2.249 58.488 56.287 -0.081 0.000 0.931 218 K CB -0.502 31.958 32.500 -0.067 0.000 0.714 218 K HN 0.560 nan 8.250 nan 0.000 0.440 219 R N 1.226 121.654 120.500 -0.120 0.000 2.083 219 R HA -0.045 4.295 4.340 -0.000 0.000 0.237 219 R C 2.330 178.547 176.300 -0.138 0.000 1.137 219 R CA 1.506 57.511 56.100 -0.159 0.000 0.951 219 R CB -0.852 29.360 30.300 -0.148 0.000 0.851 219 R HN 0.232 nan 8.270 nan 0.000 0.434 220 L N -0.225 120.923 121.223 -0.126 0.000 2.131 220 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 220 L C 2.139 178.930 176.870 -0.132 0.000 1.092 220 L CA 1.773 56.533 54.840 -0.133 0.000 0.759 220 L CB -0.642 41.319 42.059 -0.163 0.000 0.903 220 L HN 0.279 nan 8.230 nan 0.000 0.435 221 T N -1.094 113.391 114.554 -0.115 0.000 2.777 221 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 221 T C 1.438 176.088 174.700 -0.085 0.000 1.040 221 T CA 1.253 63.296 62.100 -0.096 0.000 1.141 221 T CB -0.179 68.642 68.868 -0.078 0.000 0.868 221 T HN 0.311 nan 8.240 nan 0.000 0.444 222 D N 1.592 121.935 120.400 -0.094 0.000 2.144 222 D HA 0.008 4.648 4.640 -0.000 0.000 0.199 222 D C 2.142 178.395 176.300 -0.078 0.000 0.984 222 D CA 1.051 54.997 54.000 -0.090 0.000 0.834 222 D CB -0.264 40.463 40.800 -0.121 0.000 0.955 222 D HN 0.425 nan 8.370 nan 0.000 0.465 223 A N 0.351 123.122 122.820 -0.081 0.000 2.208 223 A HA -0.041 4.279 4.320 -0.000 0.000 0.209 223 A C 0.831 178.395 177.584 -0.034 0.000 1.161 223 A CA 0.957 52.966 52.037 -0.047 0.000 0.782 223 A CB 0.016 19.000 19.000 -0.028 0.000 0.816 223 A HN 0.101 nan 8.150 nan 0.000 0.477 224 D N -3.181 117.183 120.400 -0.060 0.000 3.079 224 D HA -0.226 4.414 4.640 -0.000 0.000 0.214 224 D C 0.904 177.141 176.300 -0.104 0.000 1.145 224 D CA 1.303 55.270 54.000 -0.056 0.000 0.958 224 D CB -1.408 39.386 40.800 -0.010 0.000 1.117 224 D HN 0.543 nan 8.370 nan 0.000 0.416 225 A N -0.647 122.061 122.820 -0.188 0.000 2.123 225 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 225 A C 2.124 179.205 177.584 -0.838 0.000 1.152 225 A CA 1.050 52.778 52.037 -0.516 0.000 0.728 225 A CB -0.229 18.631 19.000 -0.234 0.000 0.814 225 A HN 0.320 nan 8.150 nan 0.000 0.464 226 M N 0.838 120.193 119.600 -0.409 0.000 2.213 226 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 226 M C 2.078 178.212 176.300 -0.277 0.000 1.062 226 M CA 1.960 57.078 55.300 -0.302 0.000 1.105 226 M CB -0.855 31.645 32.600 -0.165 0.000 1.385 226 M HN 0.726 nan 8.290 nan 0.000 0.417 227 K N 0.405 120.661 120.400 -0.241 0.000 2.160 227 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 227 K C 0.957 177.569 176.600 0.020 0.000 1.047 227 K CA 2.039 58.286 56.287 -0.067 0.000 0.930 227 K CB -0.841 31.678 32.500 0.032 0.000 0.720 227 K HN 0.505 nan 8.250 nan 0.000 0.450 228 Y N -0.341 119.997 120.300 0.063 0.000 2.696 228 Y HA 0.486 5.036 4.550 -0.000 0.000 0.260 228 Y C -0.753 175.195 175.900 0.080 0.000 1.165 228 Y CA -1.098 57.068 58.100 0.110 0.000 1.189 228 Y CB -0.013 38.493 38.460 0.077 0.000 1.180 228 Y HN -0.203 nan 8.280 nan 0.000 0.538 229 T N 2.840 117.345 114.554 -0.081 0.000 2.848 229 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 229 T C -0.494 174.212 174.700 0.010 0.000 0.995 229 T CA -0.429 61.656 62.100 -0.025 0.000 0.970 229 T CB 1.656 70.444 68.868 -0.134 0.000 0.976 229 T HN 0.177 nan 8.240 nan 0.000 0.441 230 I N 2.731 123.334 120.570 0.055 0.000 2.336 230 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 230 I C -0.506 175.646 176.117 0.058 0.000 0.991 230 I CA -1.046 60.286 61.300 0.053 0.000 1.227 230 I CB 1.624 39.670 38.000 0.076 0.000 1.366 230 I HN 0.235 nan 8.210 nan 0.000 0.466 231 V N 7.217 127.161 119.914 0.050 0.000 2.378 231 V HA 0.289 4.409 4.120 -0.000 0.000 0.288 231 V C -0.031 176.097 176.094 0.057 0.000 1.016 231 V CA -0.679 61.672 62.300 0.085 0.000 0.840 231 V CB 1.817 33.688 31.823 0.081 0.000 0.994 231 V HN 0.403 nan 8.190 nan 0.000 0.431 232 V N 4.108 124.049 119.914 0.045 0.000 2.364 232 V HA 0.437 4.557 4.120 -0.000 0.000 0.272 232 V C 0.387 176.495 176.094 0.023 0.000 1.036 232 V CA 0.019 62.327 62.300 0.013 0.000 0.880 232 V CB 1.530 33.343 31.823 -0.016 0.000 0.991 232 V HN 0.834 nan 8.190 nan 0.000 0.460 233 S N 3.697 119.414 115.700 0.028 0.000 2.472 233 S HA 0.810 5.280 4.470 -0.000 0.000 0.303 233 S C -0.021 174.594 174.600 0.025 0.000 1.099 233 S CA -0.025 58.198 58.200 0.039 0.000 1.077 233 S CB 1.403 64.632 63.200 0.049 0.000 1.031 233 S HN 1.060 nan 8.310 nan 0.000 0.487 234 A N 3.541 126.378 122.820 0.029 0.000 3.300 234 A HA 0.470 4.790 4.320 -0.000 0.000 0.300 234 A C 0.262 177.872 177.584 0.043 0.000 1.099 234 A CA -0.606 51.451 52.037 0.033 0.000 0.846 234 A CB -0.359 18.657 19.000 0.026 0.000 1.255 234 A HN 0.871 nan 8.150 nan 0.000 0.519 235 T N -1.000 113.581 114.554 0.045 0.000 2.795 235 T HA 0.421 4.771 4.350 -0.000 0.000 0.314 235 T C 0.813 175.542 174.700 0.048 0.000 1.069 235 T CA 0.249 62.377 62.100 0.047 0.000 1.071 235 T CB 0.938 69.832 68.868 0.043 0.000 0.988 235 T HN 1.509 nan 8.240 nan 0.000 0.543 236 A N 1.188 124.036 122.820 0.046 0.000 3.052 236 A HA 0.472 4.792 4.320 -0.000 0.000 0.266 236 A C 1.341 178.950 177.584 0.041 0.000 1.855 236 A CA 0.121 52.185 52.037 0.046 0.000 1.473 236 A CB -1.345 17.681 19.000 0.043 0.000 1.038 236 A HN 1.019 nan 8.150 nan 0.000 0.619 237 S N 0.020 115.746 115.700 0.043 0.000 2.302 237 S HA 0.045 4.515 4.470 -0.000 0.000 0.258 237 S C -0.032 174.594 174.600 0.042 0.000 0.957 237 S CA -0.144 58.078 58.200 0.037 0.000 1.330 237 S CB -0.011 63.209 63.200 0.033 0.000 0.982 237 S HN 0.619 nan 8.310 nan 0.000 0.459 238 D N 2.636 123.067 120.400 0.051 0.000 2.362 238 D HA 0.461 5.101 4.640 -0.000 0.000 0.242 238 D C 0.454 176.798 176.300 0.074 0.000 1.132 238 D CA 0.517 54.553 54.000 0.061 0.000 0.907 238 D CB 1.228 42.068 40.800 0.066 0.000 1.195 238 D HN 0.517 nan 8.370 nan 0.000 0.429 239 A N 1.126 123.996 122.820 0.083 0.000 2.561 239 A HA 0.233 4.553 4.320 -0.000 0.000 0.234 239 A C 1.439 179.099 177.584 0.126 0.000 1.055 239 A CA 0.487 52.577 52.037 0.090 0.000 0.756 239 A CB 0.222 19.278 19.000 0.093 0.000 0.986 239 A HN 0.669 nan 8.150 nan 0.000 0.505 240 A N 3.772 126.658 122.820 0.111 0.000 1.884 240 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 240 A C -0.029 177.696 177.584 0.234 0.000 1.197 240 A CA 2.298 54.418 52.037 0.139 0.000 0.637 240 A CB -1.879 17.176 19.000 0.091 0.000 0.827 240 A HN 0.661 nan 8.150 nan 0.000 0.450 241 P HA -0.155 nan 4.420 nan 0.000 0.217 241 P C 1.383 179.036 177.300 0.588 0.000 1.148 241 P CA 0.972 64.367 63.100 0.492 0.000 0.828 241 P CB -0.131 31.811 31.700 0.405 0.000 0.783 242 L N -1.145 120.303 121.223 0.375 0.000 2.056 242 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 242 L C 2.567 179.513 176.870 0.127 0.000 1.078 242 L CA 1.521 56.477 54.840 0.194 0.000 0.749 242 L CB -0.879 41.266 42.059 0.143 0.000 0.901 242 L HN 0.008 nan 8.230 nan 0.000 0.433 243 Q N -1.054 118.844 119.800 0.164 0.000 2.119 243 Q HA -0.249 4.091 4.340 -0.000 0.000 0.201 243 Q C 2.074 178.160 176.000 0.145 0.000 0.972 243 Q CA 1.840 57.717 55.803 0.123 0.000 0.847 243 Q CB -0.262 28.555 28.738 0.131 0.000 0.903 243 Q HN 0.546 nan 8.270 nan 0.000 0.433 244 Y N 0.784 121.167 120.300 0.139 0.000 2.200 244 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 244 Y C 1.866 177.882 175.900 0.195 0.000 1.137 244 Y CA 0.995 59.205 58.100 0.184 0.000 1.163 244 Y CB -0.192 38.451 38.460 0.305 0.000 0.988 244 Y HN 0.079 nan 8.280 nan 0.000 0.518 245 L N 0.979 122.084 121.223 -0.196 0.000 2.131 245 L HA 0.125 4.465 4.340 -0.000 0.000 0.206 245 L C 2.531 179.287 176.870 -0.190 0.000 1.087 245 L CA 1.716 56.366 54.840 -0.318 0.000 0.767 245 L CB -1.345 40.459 42.059 -0.425 0.000 0.917 245 L HN 0.314 nan 8.230 nan 0.000 0.441 246 A N 1.243 123.978 122.820 -0.141 0.000 1.894 246 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 246 A C 0.073 177.584 177.584 -0.122 0.000 1.237 246 A CA 2.612 54.586 52.037 -0.105 0.000 0.660 246 A CB -2.445 16.520 19.000 -0.059 0.000 0.835 246 A HN 0.515 nan 8.150 nan 0.000 0.461 247 P HA -0.183 nan 4.420 nan 0.000 0.215 247 P C 1.054 178.217 177.300 -0.228 0.000 1.153 247 P CA 1.643 64.614 63.100 -0.214 0.000 0.853 247 P CB -0.321 31.044 31.700 -0.558 0.000 0.788 248 Y N 1.046 121.253 120.300 -0.155 0.000 2.163 248 Y HA -0.115 4.434 4.550 -0.000 0.000 0.288 248 Y C 2.992 178.840 175.900 -0.086 0.000 1.136 248 Y CA 1.496 59.508 58.100 -0.148 0.000 1.147 248 Y CB -1.574 36.736 38.460 -0.251 0.000 0.987 248 Y HN -0.054 nan 8.280 nan 0.000 0.509 249 S N -0.016 115.702 115.700 0.030 0.000 2.359 249 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 249 S C 2.431 177.035 174.600 0.007 0.000 1.039 249 S CA 1.467 59.660 58.200 -0.011 0.000 1.042 249 S CB -1.206 61.956 63.200 -0.065 0.000 0.915 249 S HN 0.668 nan 8.310 nan 0.000 0.439 250 G N 0.063 108.867 108.800 0.008 0.000 2.422 250 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 250 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 250 G C 1.736 176.666 174.900 0.049 0.000 1.146 250 G CA 1.060 46.169 45.100 0.015 0.000 0.769 250 G HN 0.607 nan 8.290 nan 0.000 0.547 251 C N 0.740 120.098 119.300 0.097 0.000 2.432 251 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 251 C C 3.250 178.301 174.990 0.102 0.000 1.249 251 C CA 1.836 60.933 59.018 0.131 0.000 1.725 251 C CB -1.000 26.841 27.740 0.168 0.000 2.028 251 C HN 0.370 nan 8.230 nan 0.000 0.477 252 S N 0.870 116.617 115.700 0.078 0.000 2.359 252 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 252 S C 1.779 176.413 174.600 0.057 0.000 1.035 252 S CA 2.232 60.467 58.200 0.058 0.000 1.018 252 S CB -0.501 62.718 63.200 0.032 0.000 0.876 252 S HN 0.682 nan 8.310 nan 0.000 0.448 253 M N 0.980 120.605 119.600 0.042 0.000 2.144 253 M HA -0.108 4.372 4.480 -0.000 0.000 0.260 253 M C 2.432 178.810 176.300 0.130 0.000 1.067 253 M CA 1.603 56.917 55.300 0.023 0.000 1.095 253 M CB -0.837 31.780 32.600 0.029 0.000 1.365 253 M HN 0.490 nan 8.290 nan 0.000 0.406 254 G N -0.316 108.604 108.800 0.200 0.000 2.421 254 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.217 254 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.217 254 G C 1.276 176.355 174.900 0.300 0.000 1.143 254 G CA 0.317 45.619 45.100 0.337 0.000 0.784 254 G HN 0.487 nan 8.290 nan 0.000 0.541 255 E N -0.560 119.744 120.200 0.173 0.000 2.333 255 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 255 E C 1.786 178.447 176.600 0.101 0.000 1.007 255 E CA 0.497 56.972 56.400 0.125 0.000 0.845 255 E CB -0.178 29.572 29.700 0.083 0.000 0.766 255 E HN 0.662 nan 8.360 nan 0.000 0.507 256 Y N 0.729 120.971 120.300 -0.097 0.000 2.070 256 Y HA -0.306 4.244 4.550 -0.000 0.000 0.279 256 Y C 1.809 177.566 175.900 -0.238 0.000 1.134 256 Y CA 1.832 59.775 58.100 -0.262 0.000 1.113 256 Y CB -0.491 37.646 38.460 -0.537 0.000 0.981 256 Y HN -0.089 nan 8.280 nan 0.000 0.487 257 F N 0.521 120.561 119.950 0.149 0.000 2.126 257 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 257 F C 2.786 178.576 175.800 -0.016 0.000 1.096 257 F CA 1.967 59.982 58.000 0.024 0.000 1.255 257 F CB -0.948 38.142 39.000 0.151 0.000 0.997 257 F HN 0.000 nan 8.300 nan 0.000 0.479 258 R N 0.706 121.341 120.500 0.226 0.000 2.094 258 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 258 R C 1.029 177.369 176.300 0.066 0.000 1.137 258 R CA 2.122 58.313 56.100 0.151 0.000 0.943 258 R CB -0.471 29.913 30.300 0.140 0.000 0.850 258 R HN 0.187 nan 8.270 nan 0.000 0.433 259 D N -0.257 120.148 120.400 0.007 0.000 2.324 259 D HA -0.007 4.633 4.640 -0.000 0.000 0.235 259 D C -0.087 176.157 176.300 -0.094 0.000 1.095 259 D CA 0.552 54.542 54.000 -0.017 0.000 0.871 259 D CB -0.013 40.776 40.800 -0.019 0.000 0.906 259 D HN 0.419 nan 8.370 nan 0.000 0.522 260 N N -0.760 117.859 118.700 -0.136 0.000 2.299 260 N HA 0.207 4.947 4.740 -0.000 0.000 0.246 260 N C 0.954 176.408 175.510 -0.094 0.000 1.254 260 N CA -0.041 52.893 53.050 -0.193 0.000 0.879 260 N CB 1.560 39.789 38.487 -0.431 0.000 1.214 260 N HN 0.027 nan 8.380 nan 0.000 0.510 261 G N 1.083 109.856 108.800 -0.046 0.000 2.189 261 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 261 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 261 G C 0.168 174.976 174.900 -0.154 0.000 0.975 261 G CA 0.667 45.733 45.100 -0.058 0.000 0.644 261 G HN 0.287 nan 8.290 nan 0.000 0.537 262 K N -0.135 120.221 120.400 -0.074 0.000 2.177 262 K HA 0.662 4.982 4.320 -0.000 0.000 0.238 262 K C -0.217 176.319 176.600 -0.107 0.000 1.015 262 K CA -0.858 55.391 56.287 -0.063 0.000 0.922 262 K CB 0.633 33.326 32.500 0.321 0.000 1.127 262 K HN 0.283 nan 8.250 nan 0.000 0.469 263 H N -0.450 118.720 119.070 0.168 0.000 2.489 263 H HA 0.570 5.126 4.556 -0.000 0.000 0.343 263 H C -0.882 174.486 175.328 0.068 0.000 1.086 263 H CA -0.842 55.251 56.048 0.075 0.000 1.198 263 H CB 1.848 31.589 29.762 -0.035 0.000 1.490 263 H HN 0.702 nan 8.280 nan 0.000 0.504 264 A N 2.484 125.420 122.820 0.194 0.000 2.430 264 A HA 0.655 4.975 4.320 -0.000 0.000 0.300 264 A C -1.428 176.185 177.584 0.049 0.000 1.124 264 A CA -0.669 51.420 52.037 0.088 0.000 0.766 264 A CB 1.959 21.062 19.000 0.173 0.000 1.328 264 A HN 0.445 nan 8.150 nan 0.000 0.424 265 L N 1.102 122.332 121.223 0.012 0.000 2.409 265 L HA 0.787 5.127 4.340 -0.000 0.000 0.272 265 L C -1.283 175.559 176.870 -0.047 0.000 0.980 265 L CA -0.358 54.472 54.840 -0.018 0.000 0.826 265 L CB 1.473 43.521 42.059 -0.019 0.000 1.268 265 L HN 0.717 nan 8.230 nan 0.000 0.407 266 I N 5.514 126.006 120.570 -0.130 0.000 2.498 266 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 266 I C -1.298 174.541 176.117 -0.464 0.000 1.032 266 I CA -0.570 60.554 61.300 -0.294 0.000 1.073 266 I CB 1.483 39.260 38.000 -0.371 0.000 1.251 266 I HN 0.619 nan 8.210 nan 0.000 0.426 267 I N 7.581 127.870 120.570 -0.469 0.000 2.406 267 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 267 I C -1.353 174.389 176.117 -0.625 0.000 0.999 267 I CA -0.627 60.416 61.300 -0.429 0.000 1.124 267 I CB 1.385 39.286 38.000 -0.164 0.000 1.289 267 I HN 0.435 nan 8.210 nan 0.000 0.441 268 Y N 4.066 124.218 120.300 -0.247 0.000 2.504 268 Y HA 0.305 4.854 4.550 -0.000 0.000 0.339 268 Y C 0.023 175.756 175.900 -0.280 0.000 0.974 268 Y CA -0.769 57.162 58.100 -0.282 0.000 1.232 268 Y CB 0.528 38.840 38.460 -0.247 0.000 1.108 268 Y HN 0.405 nan 8.280 nan 0.000 0.509 269 D N 4.702 124.954 120.400 -0.248 0.000 2.438 269 D HA 0.144 4.784 4.640 -0.000 0.000 0.257 269 D C -1.256 174.978 176.300 -0.109 0.000 1.148 269 D CA -0.185 53.706 54.000 -0.182 0.000 0.902 269 D CB 0.565 41.219 40.800 -0.243 0.000 1.062 269 D HN 0.746 nan 8.370 nan 0.000 0.518 270 D N 1.732 122.098 120.400 -0.056 0.000 2.552 270 D HA 0.150 4.790 4.640 -0.000 0.000 0.239 270 D C 1.121 177.383 176.300 -0.063 0.000 1.139 270 D CA -0.663 53.302 54.000 -0.059 0.000 0.914 270 D CB 1.646 42.419 40.800 -0.045 0.000 1.461 270 D HN 0.154 nan 8.370 nan 0.000 0.462 271 L N 0.394 121.542 121.223 -0.124 0.000 2.465 271 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 271 L C 2.204 179.036 176.870 -0.064 0.000 1.145 271 L CA 0.552 55.283 54.840 -0.182 0.000 0.834 271 L CB -0.272 41.474 42.059 -0.522 0.000 0.944 271 L HN 0.351 nan 8.230 nan 0.000 0.451 272 S N 0.066 115.735 115.700 -0.052 0.000 2.355 272 S HA -0.134 4.336 4.470 -0.000 0.000 0.222 272 S C 1.929 176.583 174.600 0.090 0.000 1.031 272 S CA 1.117 59.326 58.200 0.016 0.000 0.993 272 S CB -0.012 63.189 63.200 0.001 0.000 0.859 272 S HN 0.382 nan 8.310 nan 0.000 0.453 273 K N 1.133 121.575 120.400 0.069 0.000 2.148 273 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 273 K C 2.444 179.119 176.600 0.126 0.000 1.050 273 K CA 0.838 57.181 56.287 0.093 0.000 0.942 273 K CB -0.144 32.394 32.500 0.063 0.000 0.724 273 K HN 0.364 nan 8.250 nan 0.000 0.446 274 Q N 0.925 120.794 119.800 0.115 0.000 2.050 274 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 274 Q C 2.063 178.200 176.000 0.228 0.000 0.980 274 Q CA 1.596 57.489 55.803 0.151 0.000 0.840 274 Q CB -0.111 28.678 28.738 0.086 0.000 0.898 274 Q HN 0.302 nan 8.270 nan 0.000 0.424 275 A N 0.775 123.736 122.820 0.235 0.000 1.908 275 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 275 A C 2.224 180.062 177.584 0.425 0.000 1.181 275 A CA 2.108 54.303 52.037 0.264 0.000 0.627 275 A CB -1.153 17.947 19.000 0.166 0.000 0.818 275 A HN 0.476 nan 8.150 nan 0.000 0.445 276 V N -2.442 117.691 119.914 0.366 0.000 2.427 276 V HA -0.033 4.087 4.120 -0.000 0.000 0.248 276 V C 2.512 178.720 176.094 0.190 0.000 1.051 276 V CA 1.870 64.342 62.300 0.287 0.000 1.048 276 V CB -1.469 30.467 31.823 0.188 0.000 0.666 276 V HN 0.536 nan 8.190 nan 0.000 0.456 277 A N -0.501 122.439 122.820 0.199 0.000 1.902 277 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 277 A C 2.201 179.896 177.584 0.185 0.000 1.181 277 A CA 2.023 54.165 52.037 0.175 0.000 0.623 277 A CB -1.021 18.102 19.000 0.204 0.000 0.818 277 A HN 0.763 nan 8.150 nan 0.000 0.443 278 Y N 0.258 120.631 120.300 0.122 0.000 2.293 278 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 278 Y C 2.459 178.385 175.900 0.043 0.000 1.137 278 Y CA 1.772 59.904 58.100 0.053 0.000 1.202 278 Y CB -0.290 38.223 38.460 0.088 0.000 0.990 278 Y HN 0.338 nan 8.280 nan 0.000 0.537 279 R N 0.151 120.716 120.500 0.108 0.000 2.075 279 R HA -0.207 4.133 4.340 -0.000 0.000 0.232 279 R C 2.444 178.683 176.300 -0.101 0.000 1.126 279 R CA 1.712 57.810 56.100 -0.003 0.000 0.963 279 R CB -0.373 29.918 30.300 -0.014 0.000 0.858 279 R HN 0.513 nan 8.270 nan 0.000 0.435 280 Q N 0.317 120.082 119.800 -0.058 0.000 2.061 280 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 280 Q C 2.050 177.985 176.000 -0.109 0.000 0.984 280 Q CA 2.248 58.012 55.803 -0.065 0.000 0.846 280 Q CB -0.075 28.651 28.738 -0.021 0.000 0.902 280 Q HN 0.417 nan 8.270 nan 0.000 0.421 281 M N -0.157 119.351 119.600 -0.154 0.000 2.067 281 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 281 M C 2.421 178.563 176.300 -0.264 0.000 1.069 281 M CA 1.793 56.965 55.300 -0.215 0.000 1.117 281 M CB -0.210 32.210 32.600 -0.299 0.000 1.334 281 M HN 0.136 nan 8.290 nan 0.000 0.407 282 S N 1.011 116.483 115.700 -0.381 0.000 2.365 282 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 282 S C 1.899 176.396 174.600 -0.171 0.000 1.039 282 S CA 1.358 59.367 58.200 -0.317 0.000 1.033 282 S CB -0.651 62.343 63.200 -0.344 0.000 0.887 282 S HN 0.380 nan 8.310 nan 0.000 0.447 283 L N 0.913 122.052 121.223 -0.140 0.000 2.083 283 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 283 L C 2.247 179.067 176.870 -0.084 0.000 1.083 283 L CA 0.949 55.731 54.840 -0.096 0.000 0.752 283 L CB -0.618 41.388 42.059 -0.089 0.000 0.899 283 L HN 0.284 nan 8.230 nan 0.000 0.433 284 L N -0.573 120.594 121.223 -0.093 0.000 2.093 284 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 284 L C 2.292 179.117 176.870 -0.074 0.000 1.085 284 L CA 0.973 55.768 54.840 -0.076 0.000 0.755 284 L CB -0.324 41.690 42.059 -0.076 0.000 0.904 284 L HN 0.271 nan 8.230 nan 0.000 0.435 285 L N -0.556 120.611 121.223 -0.094 0.000 2.622 285 L HA -0.030 4.310 4.340 -0.000 0.000 0.233 285 L C 0.885 177.718 176.870 -0.063 0.000 1.156 285 L CA 0.346 55.137 54.840 -0.083 0.000 0.866 285 L CB -0.220 41.774 42.059 -0.108 0.000 0.980 285 L HN 0.283 nan 8.230 nan 0.000 0.448 286 R N -0.275 120.188 120.500 -0.062 0.000 3.776 286 R HA -0.156 4.184 4.340 -0.000 0.000 0.312 286 R C 0.027 176.303 176.300 -0.041 0.000 1.181 286 R CA 0.376 56.448 56.100 -0.046 0.000 0.836 286 R CB -1.599 28.680 30.300 -0.035 0.000 1.324 286 R HN 0.375 nan 8.270 nan 0.000 0.501 287 R N 1.945 122.414 120.500 -0.052 0.000 2.491 287 R HA 0.120 4.460 4.340 -0.000 0.000 0.283 287 R C -1.818 174.468 176.300 -0.023 0.000 1.072 287 R CA -1.364 54.714 56.100 -0.036 0.000 1.048 287 R CB 0.309 30.578 30.300 -0.051 0.000 0.983 287 R HN -0.027 nan 8.270 nan 0.000 0.450 288 P HA -0.029 nan 4.420 nan 0.000 0.256 288 P C -2.355 174.950 177.300 0.009 0.000 1.173 288 P CA -0.707 62.392 63.100 -0.001 0.000 0.768 288 P CB -0.041 31.663 31.700 0.007 0.000 0.758 289 P HA 0.126 nan 4.420 nan 0.000 0.276 289 P C 0.526 177.834 177.300 0.014 0.000 1.243 289 P CA 0.261 63.363 63.100 0.003 0.000 0.768 289 P CB 1.100 32.787 31.700 -0.023 0.000 0.856 290 G N 3.487 112.313 108.800 0.043 0.000 2.882 290 G HA2 0.234 4.194 3.960 -0.000 0.000 0.164 290 G HA3 0.234 4.194 3.960 -0.000 0.000 0.164 290 G C -0.333 174.568 174.900 0.001 0.000 1.429 290 G CA -0.776 44.335 45.100 0.018 0.000 1.059 290 G HN 0.559 nan 8.290 nan 0.000 0.581 291 R N 0.592 121.050 120.500 -0.070 0.000 2.484 291 R HA 0.113 4.453 4.340 -0.000 0.000 0.293 291 R C -0.002 176.352 176.300 0.091 0.000 1.023 291 R CA 0.791 56.836 56.100 -0.091 0.000 1.037 291 R CB -0.262 29.826 30.300 -0.353 0.000 0.951 291 R HN 0.704 nan 8.270 nan 0.000 0.418 292 E N 2.650 122.904 120.200 0.091 0.000 2.791 292 E HA -0.319 4.031 4.350 -0.000 0.000 0.271 292 E C 0.199 176.787 176.600 -0.021 0.000 1.044 292 E CA 0.488 56.965 56.400 0.128 0.000 0.814 292 E CB -1.293 28.635 29.700 0.380 0.000 1.400 292 E HN 0.919 nan 8.360 nan 0.000 0.423 293 A N -1.953 120.857 122.820 -0.016 0.000 2.945 293 A HA -0.299 4.021 4.320 -0.000 0.000 0.263 293 A C -0.026 177.511 177.584 -0.078 0.000 1.293 293 A CA 1.842 53.837 52.037 -0.070 0.000 0.944 293 A CB -2.002 16.922 19.000 -0.126 0.000 1.093 293 A HN 0.426 nan 8.150 nan 0.000 0.786 294 Y N 0.669 121.017 120.300 0.080 0.000 2.309 294 Y HA 0.441 4.991 4.550 -0.000 0.000 0.327 294 Y C -1.409 174.569 175.900 0.129 0.000 1.172 294 Y CA -1.345 56.835 58.100 0.133 0.000 1.280 294 Y CB 0.566 39.168 38.460 0.237 0.000 1.234 294 Y HN 0.237 nan 8.280 nan 0.000 0.512 295 P HA 0.000 nan 4.420 nan 0.000 0.268 295 P C 0.458 177.926 177.300 0.281 0.000 1.205 295 P CA -0.022 63.209 63.100 0.217 0.000 0.771 295 P CB 0.796 32.598 31.700 0.171 0.000 0.858 296 G N 2.010 110.935 108.800 0.210 0.000 3.302 296 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.220 296 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.220 296 G C 0.547 175.596 174.900 0.248 0.000 1.297 296 G CA -0.001 45.229 45.100 0.216 0.000 1.213 296 G HN 0.708 nan 8.290 nan 0.000 0.508 297 D N -1.256 119.321 120.400 0.295 0.000 2.563 297 D HA -0.097 4.543 4.640 -0.000 0.000 0.256 297 D C 1.762 178.197 176.300 0.226 0.000 1.400 297 D CA 0.371 54.551 54.000 0.301 0.000 0.800 297 D CB -0.331 40.657 40.800 0.313 0.000 1.145 297 D HN 0.231 nan 8.370 nan 0.000 0.501 298 V N -1.404 118.633 119.914 0.204 0.000 2.594 298 V HA -0.117 4.003 4.120 -0.000 0.000 0.253 298 V C 2.237 178.233 176.094 -0.164 0.000 1.069 298 V CA 1.064 63.346 62.300 -0.030 0.000 1.082 298 V CB -1.463 30.353 31.823 -0.011 0.000 0.680 298 V HN 0.142 nan 8.190 nan 0.000 0.469 299 F N 1.118 121.017 119.950 -0.084 0.000 2.031 299 F HA -0.143 4.384 4.527 -0.000 0.000 0.295 299 F C 2.386 178.194 175.800 0.012 0.000 1.133 299 F CA 2.096 60.059 58.000 -0.061 0.000 1.188 299 F CB -0.747 38.253 39.000 -0.001 0.000 0.974 299 F HN 0.185 nan 8.300 nan 0.000 0.473 300 Y N 0.949 121.257 120.300 0.014 0.000 2.241 300 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 300 Y C 2.126 177.910 175.900 -0.194 0.000 1.166 300 Y CA 1.608 59.664 58.100 -0.073 0.000 1.203 300 Y CB -1.020 37.494 38.460 0.089 0.000 0.977 300 Y HN 0.290 nan 8.280 nan 0.000 0.529 301 L N -0.248 120.768 121.223 -0.344 0.000 2.012 301 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 301 L C 2.163 178.800 176.870 -0.388 0.000 1.073 301 L CA 2.402 56.956 54.840 -0.477 0.000 0.748 301 L CB -0.785 40.885 42.059 -0.650 0.000 0.891 301 L HN 0.355 nan 8.230 nan 0.000 0.431 302 H N -2.006 116.847 119.070 -0.361 0.000 2.497 302 H HA 0.012 4.568 4.556 -0.000 0.000 0.282 302 H C 2.344 177.413 175.328 -0.432 0.000 1.003 302 H CA 0.708 56.513 56.048 -0.405 0.000 1.307 302 H CB 0.150 29.676 29.762 -0.393 0.000 1.437 302 H HN 0.523 nan 8.280 nan 0.000 0.544 303 S N 1.665 117.105 115.700 -0.434 0.000 2.345 303 S HA -0.227 4.243 4.470 -0.000 0.000 0.220 303 S C 2.142 176.636 174.600 -0.177 0.000 1.031 303 S CA 1.084 59.042 58.200 -0.403 0.000 0.996 303 S CB -0.280 62.583 63.200 -0.561 0.000 0.882 303 S HN 0.534 nan 8.310 nan 0.000 0.445 304 R N 0.955 121.350 120.500 -0.175 0.000 2.105 304 R HA -0.030 4.310 4.340 -0.000 0.000 0.239 304 R C 2.327 178.584 176.300 -0.071 0.000 1.135 304 R CA 1.446 57.475 56.100 -0.119 0.000 0.967 304 R CB -0.920 29.174 30.300 -0.342 0.000 0.861 304 R HN 0.459 nan 8.270 nan 0.000 0.442 305 L N 1.414 122.585 121.223 -0.087 0.000 1.973 305 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 305 L C 2.294 179.088 176.870 -0.127 0.000 1.073 305 L CA 1.610 56.384 54.840 -0.110 0.000 0.746 305 L CB -0.507 41.334 42.059 -0.363 0.000 0.891 305 L HN 0.217 nan 8.230 nan 0.000 0.433 306 L N -0.463 120.658 121.223 -0.170 0.000 2.191 306 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 306 L C 2.599 179.447 176.870 -0.037 0.000 1.103 306 L CA 0.848 55.630 54.840 -0.096 0.000 0.769 306 L CB -0.720 41.263 42.059 -0.127 0.000 0.908 306 L HN 0.390 nan 8.230 nan 0.000 0.438 307 E N 0.496 120.671 120.200 -0.042 0.000 2.209 307 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 307 E C 2.268 178.871 176.600 0.005 0.000 0.993 307 E CA 1.065 57.459 56.400 -0.011 0.000 0.819 307 E CB -0.012 29.689 29.700 0.003 0.000 0.745 307 E HN 0.478 nan 8.360 nan 0.000 0.477 308 R N 0.443 120.951 120.500 0.013 0.000 2.096 308 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 308 R C 1.103 177.426 176.300 0.038 0.000 1.127 308 R CA 0.765 56.883 56.100 0.030 0.000 0.968 308 R CB -0.263 30.067 30.300 0.051 0.000 0.861 308 R HN -0.043 nan 8.270 nan 0.000 0.440 309 A N 1.177 124.026 122.820 0.047 0.000 2.515 309 A HA 0.448 4.768 4.320 -0.000 0.000 0.263 309 A C -0.108 177.492 177.584 0.026 0.000 1.096 309 A CA 0.516 52.582 52.037 0.048 0.000 0.769 309 A CB -0.058 18.974 19.000 0.054 0.000 1.040 309 A HN 0.394 nan 8.150 nan 0.000 0.505 310 A N 2.605 125.440 122.820 0.025 0.000 2.588 310 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 310 A C -0.747 176.847 177.584 0.017 0.000 1.136 310 A CA -0.766 51.277 52.037 0.010 0.000 0.681 310 A CB 1.068 20.066 19.000 -0.004 0.000 1.282 310 A HN 0.853 nan 8.150 nan 0.000 0.421 311 K N 1.318 121.722 120.400 0.007 0.000 2.367 311 K HA 0.572 4.892 4.320 -0.000 0.000 0.263 311 K C -0.798 175.816 176.600 0.023 0.000 1.000 311 K CA -0.345 55.951 56.287 0.016 0.000 0.891 311 K CB 0.425 32.922 32.500 -0.005 0.000 1.117 311 K HN 0.590 nan 8.250 nan 0.000 0.443 312 M N 3.006 122.638 119.600 0.054 0.000 2.250 312 M HA 0.195 4.675 4.480 -0.000 0.000 0.344 312 M C 0.314 176.678 176.300 0.107 0.000 1.150 312 M CA -0.444 54.895 55.300 0.066 0.000 1.147 312 M CB 0.261 32.924 32.600 0.105 0.000 1.498 312 M HN 0.745 nan 8.290 nan 0.000 0.461 313 N N 0.635 119.420 118.700 0.142 0.000 2.408 313 N HA 0.136 4.876 4.740 -0.000 0.000 0.260 313 N C 0.069 175.677 175.510 0.163 0.000 1.242 313 N CA -0.420 52.717 53.050 0.146 0.000 0.959 313 N CB 0.653 39.233 38.487 0.155 0.000 1.201 313 N HN 0.400 nan 8.380 nan 0.000 0.511 314 D N -0.131 120.333 120.400 0.106 0.000 2.133 314 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 314 D C 1.874 178.200 176.300 0.043 0.000 0.997 314 D CA 2.087 56.128 54.000 0.068 0.000 0.840 314 D CB -0.904 39.920 40.800 0.040 0.000 0.947 314 D HN 0.706 nan 8.370 nan 0.000 0.452 315 A N 0.058 122.897 122.820 0.031 0.000 1.948 315 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 315 A C 1.275 178.702 177.584 -0.261 0.000 1.177 315 A CA 0.981 52.943 52.037 -0.125 0.000 0.636 315 A CB -0.721 18.183 19.000 -0.161 0.000 0.815 315 A HN 0.223 nan 8.150 nan 0.000 0.449 316 F N -0.459 119.494 119.950 0.005 0.000 2.987 316 F HA 0.445 4.972 4.527 0.000 0.000 0.302 316 F C 1.655 177.456 175.800 0.002 0.000 1.221 316 F CA 0.393 58.395 58.000 0.002 0.000 1.307 316 F CB 0.127 39.131 39.000 0.008 0.000 1.108 316 F HN 0.351 nan 8.300 nan 0.000 0.521 317 G N 0.099 108.947 108.800 0.080 0.000 2.435 317 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.245 317 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.245 317 G C 1.328 176.267 174.900 0.066 0.000 1.073 317 G CA 0.125 45.256 45.100 0.050 0.000 0.638 317 G HN 1.366 nan 8.290 nan 0.000 0.521 318 G N -0.397 108.472 108.800 0.116 0.000 2.137 318 G HA2 0.241 4.201 3.960 -0.000 0.000 0.237 318 G HA3 0.241 4.201 3.960 -0.000 0.000 0.237 318 G C 1.378 176.396 174.900 0.196 0.000 1.002 318 G CA 0.920 46.101 45.100 0.135 0.000 0.702 318 G HN 2.117 nan 8.290 nan 0.000 0.515 319 G N -0.594 108.299 108.800 0.155 0.000 2.588 319 G HA2 0.833 4.793 3.960 -0.000 0.000 0.278 319 G HA3 0.833 4.793 3.960 -0.000 0.000 0.278 319 G C 0.278 175.344 174.900 0.277 0.000 1.307 319 G CA 0.750 45.964 45.100 0.191 0.000 1.016 319 G HN 1.878 nan 8.290 nan 0.000 0.503 320 S N -1.905 113.994 115.700 0.331 0.000 2.565 320 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 320 S C -1.654 173.044 174.600 0.164 0.000 1.144 320 S CA -0.773 57.538 58.200 0.185 0.000 0.849 320 S CB 1.720 64.958 63.200 0.063 0.000 1.103 320 S HN 1.134 nan 8.310 nan 0.000 0.455 321 L N 1.775 123.056 121.223 0.095 0.000 2.415 321 L HA 0.660 5.000 4.340 -0.000 0.000 0.268 321 L C -0.671 176.222 176.870 0.039 0.000 0.984 321 L CA 0.224 55.116 54.840 0.086 0.000 0.853 321 L CB 1.549 43.667 42.059 0.099 0.000 1.215 321 L HN 0.927 nan 8.230 nan 0.000 0.419 322 T N 3.941 118.503 114.554 0.012 0.000 2.845 322 T HA 0.798 5.148 4.350 -0.000 0.000 0.288 322 T C -0.046 174.642 174.700 -0.019 0.000 0.980 322 T CA -0.142 61.950 62.100 -0.013 0.000 1.071 322 T CB 1.292 70.138 68.868 -0.038 0.000 0.941 322 T HN 0.770 nan 8.240 nan 0.000 0.487 323 A N 3.261 126.077 122.820 -0.006 0.000 2.342 323 A HA 0.773 5.093 4.320 -0.000 0.000 0.323 323 A C -0.570 177.007 177.584 -0.011 0.000 1.125 323 A CA -0.768 51.267 52.037 -0.003 0.000 0.785 323 A CB 0.712 19.787 19.000 0.124 0.000 1.221 323 A HN 0.862 nan 8.150 nan 0.000 0.463 324 L N 4.317 125.509 121.223 -0.051 0.000 2.457 324 L HA 0.326 4.666 4.340 -0.000 0.000 0.252 324 L C -2.433 174.425 176.870 -0.019 0.000 1.132 324 L CA -1.593 53.226 54.840 -0.036 0.000 0.938 324 L CB 1.795 43.828 42.059 -0.044 0.000 1.246 324 L HN 0.518 nan 8.230 nan 0.000 0.476 325 P HA 0.212 nan 4.420 nan 0.000 0.278 325 P C -0.599 176.667 177.300 -0.056 0.000 1.238 325 P CA -0.235 62.891 63.100 0.042 0.000 0.794 325 P CB 2.395 34.079 31.700 -0.028 0.000 0.955 326 V N 3.977 123.848 119.914 -0.072 0.000 2.513 326 V HA 0.433 4.553 4.120 -0.000 0.000 0.299 326 V C 0.311 176.334 176.094 -0.119 0.000 1.035 326 V CA -0.628 61.620 62.300 -0.087 0.000 0.889 326 V CB 1.759 33.547 31.823 -0.059 0.000 0.988 326 V HN 0.428 nan 8.190 nan 0.000 0.440 327 I N 3.235 123.728 120.570 -0.128 0.000 2.533 327 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 327 I C -0.157 175.899 176.117 -0.102 0.000 1.056 327 I CA -0.413 60.807 61.300 -0.134 0.000 1.057 327 I CB 2.097 39.992 38.000 -0.174 0.000 1.240 327 I HN 0.781 nan 8.210 nan 0.000 0.423 328 E N 5.334 125.494 120.200 -0.067 0.000 2.109 328 E HA 0.409 4.759 4.350 -0.000 0.000 0.278 328 E C -0.480 176.103 176.600 -0.029 0.000 0.954 328 E CA -0.349 56.026 56.400 -0.043 0.000 0.779 328 E CB 1.086 30.775 29.700 -0.017 0.000 1.093 328 E HN 0.706 nan 8.360 nan 0.000 0.401 329 T N 1.931 116.465 114.554 -0.033 0.000 2.849 329 T HA 0.354 4.704 4.350 -0.000 0.000 0.276 329 T C -0.042 174.663 174.700 0.009 0.000 0.971 329 T CA -0.968 61.126 62.100 -0.011 0.000 0.949 329 T CB 1.338 70.197 68.868 -0.015 0.000 1.093 329 T HN 0.351 nan 8.240 nan 0.000 0.545 330 Q N -0.113 119.701 119.800 0.024 0.000 2.310 330 Q HA 0.562 4.902 4.340 -0.000 0.000 0.270 330 Q C 0.317 176.333 176.000 0.026 0.000 1.025 330 Q CA -0.219 55.601 55.803 0.028 0.000 0.772 330 Q CB 1.461 30.224 28.738 0.042 0.000 1.253 330 Q HN 1.214 nan 8.270 nan 0.000 0.450 331 A N 2.059 124.889 122.820 0.017 0.000 2.826 331 A HA -0.197 4.123 4.320 -0.000 0.000 0.274 331 A C 1.142 178.739 177.584 0.021 0.000 1.443 331 A CA 1.743 53.787 52.037 0.012 0.000 0.833 331 A CB -2.111 16.899 19.000 0.016 0.000 1.023 331 A HN 1.702 nan 8.150 nan 0.000 0.600 332 G N -1.338 107.478 108.800 0.026 0.000 2.168 332 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 332 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 332 G C -0.090 174.852 174.900 0.070 0.000 0.997 332 G CA 1.146 46.276 45.100 0.050 0.000 0.708 332 G HN 1.735 nan 8.290 nan 0.000 0.520 333 D N 0.501 120.936 120.400 0.057 0.000 2.383 333 D HA 0.356 4.996 4.640 -0.000 0.000 0.245 333 D C 1.589 177.934 176.300 0.076 0.000 1.263 333 D CA 0.391 54.430 54.000 0.066 0.000 0.936 333 D CB 0.523 41.357 40.800 0.057 0.000 1.053 333 D HN 0.655 nan 8.370 nan 0.000 0.507 334 V N 1.281 121.263 119.914 0.113 0.000 3.337 334 V HA 0.229 4.349 4.120 -0.000 0.000 0.343 334 V C 0.799 176.965 176.094 0.119 0.000 1.302 334 V CA 0.021 62.399 62.300 0.131 0.000 1.268 334 V CB -0.100 31.912 31.823 0.316 0.000 1.185 334 V HN 0.333 nan 8.190 nan 0.000 0.447 335 S N 0.404 116.162 115.700 0.096 0.000 2.666 335 S HA 0.615 5.085 4.470 -0.000 0.000 0.239 335 S C 1.133 175.792 174.600 0.098 0.000 1.031 335 S CA 0.296 58.552 58.200 0.093 0.000 1.015 335 S CB 0.642 63.891 63.200 0.081 0.000 0.981 335 S HN 0.869 nan 8.310 nan 0.000 0.547 336 A N 0.815 123.691 122.820 0.093 0.000 2.406 336 A HA 0.415 4.735 4.320 -0.000 0.000 0.243 336 A C 0.865 178.542 177.584 0.155 0.000 1.082 336 A CA -0.137 51.971 52.037 0.119 0.000 0.786 336 A CB -0.097 18.963 19.000 0.099 0.000 1.029 336 A HN 0.304 nan 8.150 nan 0.000 0.495 337 Y N 1.671 121.991 120.300 0.034 0.000 1.993 337 Y HA -0.267 4.283 4.550 -0.000 0.000 0.267 337 Y C 1.881 177.778 175.900 -0.005 0.000 1.155 337 Y CA 2.542 60.655 58.100 0.022 0.000 1.105 337 Y CB -0.643 37.835 38.460 0.030 0.000 0.960 337 Y HN 0.564 nan 8.280 nan 0.000 0.486 338 I N 0.278 120.769 120.570 -0.131 0.000 2.087 338 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 338 I C -0.585 175.440 176.117 -0.153 0.000 1.054 338 I CA 2.093 63.250 61.300 -0.240 0.000 1.311 338 I CB -2.055 35.814 38.000 -0.219 0.000 1.024 338 I HN 0.198 nan 8.210 nan 0.000 0.402 339 P HA -0.186 nan 4.420 nan 0.000 0.213 339 P C 1.815 179.079 177.300 -0.060 0.000 1.170 339 P CA 2.811 65.862 63.100 -0.082 0.000 0.902 339 P CB -0.427 31.248 31.700 -0.042 0.000 0.789 340 T N -3.344 111.204 114.554 -0.009 0.000 2.759 340 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 340 T C 1.695 176.404 174.700 0.015 0.000 1.042 340 T CA 1.596 63.712 62.100 0.027 0.000 1.140 340 T CB -1.251 67.660 68.868 0.072 0.000 0.864 340 T HN -0.022 nan 8.240 nan 0.000 0.455 341 N N 1.376 120.049 118.700 -0.046 0.000 2.043 341 N HA -0.047 4.693 4.740 -0.000 0.000 0.193 341 N C 1.997 177.536 175.510 0.047 0.000 1.037 341 N CA 1.306 54.373 53.050 0.028 0.000 0.851 341 N CB -0.938 37.470 38.487 -0.132 0.000 1.027 341 N HN 0.347 nan 8.380 nan 0.000 0.422 342 V N 1.466 121.337 119.914 -0.072 0.000 2.407 342 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 342 V C 2.186 178.238 176.094 -0.070 0.000 1.055 342 V CA 1.079 63.298 62.300 -0.134 0.000 1.049 342 V CB -0.442 31.240 31.823 -0.235 0.000 0.662 342 V HN 0.278 nan 8.190 nan 0.000 0.455 343 I N 1.235 121.783 120.570 -0.037 0.000 2.361 343 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 343 I C 2.085 178.228 176.117 0.044 0.000 1.133 343 I CA 1.740 63.041 61.300 0.002 0.000 1.413 343 I CB -0.301 37.718 38.000 0.031 0.000 1.073 343 I HN 0.463 nan 8.210 nan 0.000 0.424 344 S N -0.479 115.270 115.700 0.083 0.000 2.710 344 S HA 0.266 4.736 4.470 -0.000 0.000 0.224 344 S C 1.204 175.902 174.600 0.164 0.000 0.948 344 S CA -0.065 58.214 58.200 0.132 0.000 0.949 344 S CB -0.191 63.109 63.200 0.165 0.000 0.778 344 S HN 0.416 nan 8.310 nan 0.000 0.498 345 I N 0.767 121.380 120.570 0.073 0.000 4.046 345 I HA 0.065 4.235 4.170 -0.000 0.000 0.285 345 I C 1.293 177.406 176.117 -0.007 0.000 1.183 345 I CA 0.386 61.695 61.300 0.016 0.000 1.337 345 I CB -0.149 37.787 38.000 -0.106 0.000 1.478 345 I HN 0.304 nan 8.210 nan 0.000 0.452 346 T N -1.290 113.251 114.554 -0.022 0.000 2.698 346 T HA 0.104 4.454 4.350 -0.000 0.000 0.295 346 T C 0.240 174.943 174.700 0.005 0.000 1.007 346 T CA -0.145 61.943 62.100 -0.019 0.000 0.980 346 T CB 0.693 69.540 68.868 -0.036 0.000 1.036 346 T HN 0.026 nan 8.240 nan 0.000 0.526 347 D N -0.037 120.367 120.400 0.006 0.000 2.559 347 D HA 0.432 5.072 4.640 -0.000 0.000 0.234 347 D C 0.722 177.036 176.300 0.023 0.000 1.226 347 D CA 0.082 54.091 54.000 0.016 0.000 0.830 347 D CB 0.138 40.944 40.800 0.010 0.000 1.028 347 D HN 0.993 nan 8.370 nan 0.000 0.492 348 G N 0.391 109.207 108.800 0.028 0.000 2.345 348 G HA2 0.296 4.256 3.960 -0.000 0.000 0.310 348 G HA3 0.296 4.256 3.960 -0.000 0.000 0.310 348 G C -1.761 173.163 174.900 0.040 0.000 1.476 348 G CA -0.919 44.210 45.100 0.049 0.000 0.978 348 G HN -0.009 nan 8.290 nan 0.000 0.656 349 Q N -1.084 118.768 119.800 0.085 0.000 2.553 349 Q HA 0.804 5.144 4.340 -0.000 0.000 0.293 349 Q C -0.621 175.449 176.000 0.117 0.000 1.038 349 Q CA -0.725 55.093 55.803 0.026 0.000 0.777 349 Q CB 2.537 31.204 28.738 -0.117 0.000 1.487 349 Q HN 0.624 nan 8.270 nan 0.000 0.426 350 I N 1.861 122.453 120.570 0.038 0.000 2.466 350 I HA 0.350 4.520 4.170 -0.000 0.000 0.279 350 I C -1.155 175.017 176.117 0.091 0.000 1.033 350 I CA -0.530 60.841 61.300 0.117 0.000 1.123 350 I CB 0.647 38.680 38.000 0.055 0.000 1.237 350 I HN 0.443 nan 8.210 nan 0.000 0.460 351 F N 6.488 126.444 119.950 0.010 0.000 2.445 351 F HA 0.312 4.839 4.527 -0.000 0.000 0.359 351 F C 0.291 176.103 175.800 0.020 0.000 1.101 351 F CA -0.279 57.728 58.000 0.011 0.000 1.177 351 F CB 0.579 39.587 39.000 0.013 0.000 1.110 351 F HN 0.194 nan 8.300 nan 0.000 0.522 352 L N 4.563 125.868 121.223 0.136 0.000 2.283 352 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 352 L C 0.028 176.961 176.870 0.104 0.000 1.033 352 L CA -0.520 54.383 54.840 0.106 0.000 0.848 352 L CB 0.757 42.844 42.059 0.048 0.000 1.226 352 L HN 0.577 nan 8.230 nan 0.000 0.429 353 E N 1.420 121.697 120.200 0.128 0.000 2.338 353 E HA 0.088 4.438 4.350 -0.000 0.000 0.272 353 E C 0.550 177.209 176.600 0.097 0.000 1.029 353 E CA -0.241 56.221 56.400 0.103 0.000 0.872 353 E CB 1.579 31.338 29.700 0.099 0.000 1.015 353 E HN 0.519 nan 8.360 nan 0.000 0.417 354 T N 2.122 116.693 114.554 0.028 0.000 2.777 354 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 354 T C 1.641 176.315 174.700 -0.043 0.000 1.040 354 T CA 1.226 63.307 62.100 -0.032 0.000 1.141 354 T CB -0.048 68.707 68.868 -0.189 0.000 0.868 354 T HN 0.574 nan 8.240 nan 0.000 0.444 355 E N 0.971 121.138 120.200 -0.055 0.000 2.070 355 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 355 E C 2.140 178.801 176.600 0.101 0.000 1.004 355 E CA 1.089 57.479 56.400 -0.017 0.000 0.805 355 E CB -0.278 29.430 29.700 0.013 0.000 0.744 355 E HN 0.447 nan 8.360 nan 0.000 0.451 356 L N -0.010 121.288 121.223 0.125 0.000 2.083 356 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 356 L C 2.499 179.487 176.870 0.198 0.000 1.083 356 L CA 1.006 55.931 54.840 0.141 0.000 0.752 356 L CB -0.513 41.625 42.059 0.132 0.000 0.899 356 L HN 0.231 nan 8.230 nan 0.000 0.433 357 F N 0.066 120.099 119.950 0.137 0.000 2.075 357 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 357 F C 2.398 178.364 175.800 0.278 0.000 1.113 357 F CA 1.586 59.704 58.000 0.197 0.000 1.218 357 F CB -0.362 38.785 39.000 0.245 0.000 0.984 357 F HN -0.050 nan 8.300 nan 0.000 0.472 358 Y N 0.482 120.844 120.300 0.104 0.000 2.352 358 Y HA -0.100 4.450 4.550 -0.000 0.000 0.292 358 Y C 2.348 178.223 175.900 -0.042 0.000 1.136 358 Y CA 1.096 59.202 58.100 0.010 0.000 1.227 358 Y CB -1.087 37.429 38.460 0.092 0.000 0.991 358 Y HN 0.116 nan 8.280 nan 0.000 0.545 359 K N -0.443 120.051 120.400 0.157 0.000 2.486 359 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 359 K C 1.388 177.997 176.600 0.014 0.000 1.033 359 K CA 0.809 57.142 56.287 0.077 0.000 1.004 359 K CB -0.197 32.350 32.500 0.080 0.000 0.798 359 K HN 0.425 nan 8.250 nan 0.000 0.495 360 G N 0.753 109.525 108.800 -0.048 0.000 2.217 360 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.246 360 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.246 360 G C 0.049 174.912 174.900 -0.062 0.000 0.990 360 G CA 0.036 45.079 45.100 -0.095 0.000 0.627 360 G HN 0.197 nan 8.290 nan 0.000 0.522 361 I N 2.062 122.629 120.570 -0.005 0.000 2.483 361 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 361 I C 0.787 176.932 176.117 0.047 0.000 1.112 361 I CA 0.555 61.872 61.300 0.030 0.000 1.350 361 I CB -0.256 37.782 38.000 0.063 0.000 1.419 361 I HN 0.188 nan 8.210 nan 0.000 0.523 362 R N 7.850 128.368 120.500 0.030 0.000 2.514 362 R HA 0.402 4.742 4.340 -0.000 0.000 0.296 362 R C -2.587 173.744 176.300 0.052 0.000 1.012 362 R CA -1.589 54.548 56.100 0.063 0.000 0.897 362 R CB 2.594 32.902 30.300 0.013 0.000 1.184 362 R HN 0.333 nan 8.270 nan 0.000 0.440 363 P HA 0.048 nan 4.420 nan 0.000 0.276 363 P C -0.437 176.933 177.300 0.117 0.000 1.230 363 P CA -0.232 62.930 63.100 0.103 0.000 0.776 363 P CB 1.182 32.926 31.700 0.074 0.000 0.888 364 A N 5.272 128.193 122.820 0.169 0.000 3.048 364 A HA 0.200 4.520 4.320 -0.000 0.000 0.264 364 A C 0.678 178.341 177.584 0.131 0.000 1.796 364 A CA -0.338 51.798 52.037 0.164 0.000 1.445 364 A CB -1.460 17.683 19.000 0.238 0.000 1.074 364 A HN 0.490 nan 8.150 nan 0.000 0.621 365 I N 1.644 122.278 120.570 0.107 0.000 2.301 365 I HA 0.063 4.233 4.170 -0.000 0.000 0.292 365 I C 0.427 176.601 176.117 0.095 0.000 1.046 365 I CA -0.575 60.789 61.300 0.106 0.000 1.282 365 I CB 0.712 38.764 38.000 0.086 0.000 1.409 365 I HN 0.408 nan 8.210 nan 0.000 0.484 366 N N 6.892 125.657 118.700 0.109 0.000 2.406 366 N HA 0.007 4.747 4.740 -0.000 0.000 0.269 366 N C 0.787 176.313 175.510 0.026 0.000 1.210 366 N CA 0.083 53.167 53.050 0.057 0.000 0.966 366 N CB 1.107 39.617 38.487 0.038 0.000 1.293 366 N HN 0.426 nan 8.380 nan 0.000 0.491 367 V N 2.769 122.698 119.914 0.025 0.000 3.186 367 V HA -0.076 4.044 4.120 -0.000 0.000 0.270 367 V C 1.986 178.069 176.094 -0.019 0.000 1.149 367 V CA 1.757 64.066 62.300 0.016 0.000 1.160 367 V CB -0.675 31.165 31.823 0.027 0.000 0.758 367 V HN 0.709 nan 8.190 nan 0.000 0.516 368 G N -0.909 107.857 108.800 -0.057 0.000 2.719 368 G HA2 0.140 4.100 3.960 -0.000 0.000 0.211 368 G HA3 0.140 4.100 3.960 -0.000 0.000 0.211 368 G C 1.279 176.078 174.900 -0.168 0.000 1.140 368 G CA 0.083 45.128 45.100 -0.093 0.000 0.790 368 G HN 0.488 nan 8.290 nan 0.000 0.529 369 L N 0.330 121.389 121.223 -0.274 0.000 2.500 369 L HA 0.242 4.582 4.340 -0.000 0.000 0.219 369 L C 0.843 177.485 176.870 -0.380 0.000 1.057 369 L CA 0.020 54.514 54.840 -0.577 0.000 0.854 369 L CB 0.080 41.383 42.059 -1.260 0.000 1.078 369 L HN -0.054 nan 8.230 nan 0.000 0.480 370 S N 0.820 116.483 115.700 -0.062 0.000 2.533 370 S HA 0.367 4.837 4.470 -0.000 0.000 0.282 370 S C -0.093 174.563 174.600 0.093 0.000 1.304 370 S CA -0.121 58.195 58.200 0.193 0.000 1.063 370 S CB 1.424 64.732 63.200 0.179 0.000 0.881 370 S HN -0.022 nan 8.310 nan 0.000 0.493 371 V N 1.808 121.795 119.914 0.122 0.000 3.114 371 V HA 0.673 4.793 4.120 -0.000 0.000 0.308 371 V C -0.440 175.692 176.094 0.064 0.000 1.168 371 V CA -0.825 61.516 62.300 0.069 0.000 1.015 371 V CB 2.449 34.306 31.823 0.058 0.000 1.050 371 V HN 0.726 nan 8.190 nan 0.000 0.433 372 S N 1.055 116.779 115.700 0.040 0.000 2.652 372 S HA 0.418 4.888 4.470 -0.000 0.000 0.252 372 S C 0.752 175.365 174.600 0.021 0.000 1.219 372 S CA -0.644 57.574 58.200 0.029 0.000 1.151 372 S CB 0.729 63.942 63.200 0.022 0.000 1.080 372 S HN 0.695 nan 8.310 nan 0.000 0.481 373 R N 1.754 122.267 120.500 0.023 0.000 2.070 373 R HA -0.029 4.311 4.340 -0.000 0.000 0.233 373 R C 0.742 177.049 176.300 0.011 0.000 1.137 373 R CA 1.692 57.803 56.100 0.018 0.000 0.945 373 R CB -0.324 29.989 30.300 0.021 0.000 0.845 373 R HN 0.531 nan 8.270 nan 0.000 0.430 374 V N -2.498 117.421 119.914 0.008 0.000 2.266 374 V HA 0.696 4.816 4.120 -0.000 0.000 0.266 374 V C 0.138 176.229 176.094 -0.004 0.000 1.036 374 V CA -0.117 62.184 62.300 0.002 0.000 0.828 374 V CB 1.055 32.878 31.823 0.000 0.000 1.081 374 V HN 0.377 nan 8.190 nan 0.000 0.449 375 G N 1.953 110.750 108.800 -0.004 0.000 2.540 375 G HA2 0.007 3.967 3.960 -0.000 0.000 0.163 375 G HA3 0.007 3.967 3.960 -0.000 0.000 0.163 375 G C 1.000 175.895 174.900 -0.009 0.000 1.501 375 G CA 0.731 45.825 45.100 -0.010 0.000 0.715 375 G HN 0.524 nan 8.290 nan 0.000 1.086 376 S N 1.630 117.329 115.700 -0.002 0.000 2.383 376 S HA -0.031 4.439 4.470 -0.000 0.000 0.229 376 S C 2.567 177.165 174.600 -0.004 0.000 1.030 376 S CA 1.425 59.625 58.200 -0.000 0.000 1.002 376 S CB -0.223 62.978 63.200 0.003 0.000 0.829 376 S HN 0.689 nan 8.310 nan 0.000 0.467 377 A N 0.694 123.511 122.820 -0.006 0.000 2.172 377 A HA 0.377 4.697 4.320 -0.000 0.000 0.216 377 A C 1.962 179.537 177.584 -0.015 0.000 1.154 377 A CA 1.194 53.226 52.037 -0.008 0.000 0.701 377 A CB -0.488 18.508 19.000 -0.007 0.000 0.789 377 A HN 0.508 nan 8.150 nan 0.000 0.465 378 A N -1.331 121.476 122.820 -0.021 0.000 2.303 378 A HA 0.257 4.577 4.320 -0.000 0.000 0.217 378 A C 1.011 178.578 177.584 -0.028 0.000 1.205 378 A CA 0.048 52.065 52.037 -0.033 0.000 0.875 378 A CB -0.165 18.807 19.000 -0.048 0.000 0.910 378 A HN 0.560 nan 8.150 nan 0.000 0.501 379 Q N 1.408 121.199 119.800 -0.015 0.000 2.332 379 Q HA 0.234 4.574 4.340 -0.000 0.000 0.263 379 Q C -0.530 175.468 176.000 -0.003 0.000 0.979 379 Q CA -0.114 55.685 55.803 -0.007 0.000 0.885 379 Q CB 0.495 29.234 28.738 0.001 0.000 1.218 379 Q HN 0.417 nan 8.270 nan 0.000 0.405 380 T N 3.422 117.977 114.554 0.001 0.000 2.940 380 T HA -0.021 4.329 4.350 -0.000 0.000 0.309 380 T C 0.925 175.632 174.700 0.012 0.000 1.056 380 T CA -0.408 61.696 62.100 0.007 0.000 1.137 380 T CB 0.773 69.650 68.868 0.016 0.000 0.976 380 T HN 0.682 nan 8.240 nan 0.000 0.547 381 R N 2.811 123.318 120.500 0.011 0.000 2.103 381 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 381 R C 2.467 178.780 176.300 0.022 0.000 1.142 381 R CA 2.064 58.173 56.100 0.015 0.000 0.960 381 R CB -1.204 29.103 30.300 0.013 0.000 0.858 381 R HN 0.818 nan 8.270 nan 0.000 0.439 382 A N 0.172 123.006 122.820 0.023 0.000 1.948 382 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 382 A C 2.194 179.804 177.584 0.043 0.000 1.177 382 A CA 1.888 53.944 52.037 0.031 0.000 0.636 382 A CB -0.516 18.498 19.000 0.023 0.000 0.815 382 A HN 0.352 nan 8.150 nan 0.000 0.449 383 M N -1.090 118.532 119.600 0.035 0.000 2.099 383 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 383 M C 2.019 178.341 176.300 0.036 0.000 1.067 383 M CA 1.795 57.118 55.300 0.038 0.000 1.124 383 M CB -0.903 31.715 32.600 0.029 0.000 1.353 383 M HN 0.295 nan 8.290 nan 0.000 0.410 384 K N 0.308 120.725 120.400 0.028 0.000 2.103 384 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 384 K C 1.900 178.519 176.600 0.031 0.000 1.048 384 K CA 1.304 57.605 56.287 0.024 0.000 0.930 384 K CB -0.302 32.209 32.500 0.018 0.000 0.716 384 K HN 0.472 nan 8.250 nan 0.000 0.444 385 Q N -0.415 119.411 119.800 0.043 0.000 2.437 385 Q HA -0.075 4.265 4.340 -0.000 0.000 0.210 385 Q C 1.607 177.653 176.000 0.075 0.000 0.972 385 Q CA 1.278 57.116 55.803 0.058 0.000 0.903 385 Q CB 0.261 29.042 28.738 0.072 0.000 0.967 385 Q HN 0.364 nan 8.270 nan 0.000 0.486 386 V N -5.818 114.139 119.914 0.072 0.000 3.161 386 V HA 0.339 4.459 4.120 -0.000 0.000 0.221 386 V C 1.917 178.032 176.094 0.035 0.000 1.296 386 V CA 0.426 62.770 62.300 0.073 0.000 1.306 386 V CB -0.627 31.277 31.823 0.136 0.000 1.171 386 V HN 0.038 nan 8.190 nan 0.000 0.513 387 A N 1.633 124.475 122.820 0.037 0.000 1.972 387 A HA 0.091 4.411 4.320 -0.000 0.000 0.219 387 A C 2.274 179.866 177.584 0.012 0.000 1.169 387 A CA 2.214 54.265 52.037 0.023 0.000 0.635 387 A CB -1.461 17.555 19.000 0.027 0.000 0.810 387 A HN 0.878 nan 8.150 nan 0.000 0.446 388 G N -0.165 108.644 108.800 0.014 0.000 2.476 388 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 388 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 388 G C 1.695 176.594 174.900 -0.002 0.000 1.164 388 G CA 2.063 47.167 45.100 0.007 0.000 0.768 388 G HN 0.666 nan 8.290 nan 0.000 0.560 389 T N -1.342 113.207 114.554 -0.008 0.000 3.023 389 T HA 0.089 4.439 4.350 -0.000 0.000 0.266 389 T C 2.254 176.937 174.700 -0.029 0.000 1.093 389 T CA 1.133 63.219 62.100 -0.022 0.000 1.129 389 T CB -0.076 68.770 68.868 -0.036 0.000 0.899 389 T HN 0.284 nan 8.240 nan 0.000 0.491 390 M N 1.124 120.710 119.600 -0.023 0.000 2.067 390 M HA -0.020 4.460 4.480 -0.000 0.000 0.260 390 M C 2.444 178.733 176.300 -0.018 0.000 1.069 390 M CA 1.745 57.029 55.300 -0.027 0.000 1.117 390 M CB -0.228 32.362 32.600 -0.016 0.000 1.334 390 M HN 0.121 nan 8.290 nan 0.000 0.407 391 K N 0.332 120.728 120.400 -0.006 0.000 2.147 391 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 391 K C 1.805 178.406 176.600 0.000 0.000 1.049 391 K CA 1.255 57.542 56.287 0.001 0.000 0.936 391 K CB -0.222 32.281 32.500 0.004 0.000 0.722 391 K HN 0.463 nan 8.250 nan 0.000 0.446 392 L N 0.488 121.707 121.223 -0.007 0.000 2.017 392 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 392 L C 2.203 179.069 176.870 -0.005 0.000 1.073 392 L CA 1.528 56.363 54.840 -0.008 0.000 0.745 392 L CB -0.420 41.630 42.059 -0.015 0.000 0.894 392 L HN 0.256 nan 8.230 nan 0.000 0.432 393 E N 0.235 120.427 120.200 -0.013 0.000 2.072 393 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 393 E C 2.345 178.960 176.600 0.025 0.000 0.985 393 E CA 0.962 57.355 56.400 -0.012 0.000 0.801 393 E CB -0.138 29.535 29.700 -0.045 0.000 0.750 393 E HN 0.425 nan 8.360 nan 0.000 0.452 394 L N 0.585 121.821 121.223 0.023 0.000 2.191 394 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 394 L C 2.461 179.387 176.870 0.093 0.000 1.103 394 L CA 0.643 55.527 54.840 0.074 0.000 0.769 394 L CB -0.364 41.721 42.059 0.043 0.000 0.908 394 L HN 0.171 nan 8.230 nan 0.000 0.438 395 A N -0.315 122.530 122.820 0.042 0.000 1.873 395 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 395 A C 2.194 179.786 177.584 0.014 0.000 1.186 395 A CA 1.251 53.298 52.037 0.017 0.000 0.616 395 A CB -0.373 18.627 19.000 0.000 0.000 0.823 395 A HN 0.429 nan 8.150 nan 0.000 0.442 396 Q N -1.811 118.005 119.800 0.026 0.000 2.050 396 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 396 Q C 2.058 178.081 176.000 0.039 0.000 0.980 396 Q CA 1.893 57.707 55.803 0.019 0.000 0.840 396 Q CB -0.447 28.303 28.738 0.020 0.000 0.898 396 Q HN 0.817 nan 8.270 nan 0.000 0.424 397 Y N 1.457 121.728 120.300 -0.048 0.000 2.128 397 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 397 Y C 2.362 178.227 175.900 -0.058 0.000 1.154 397 Y CA 1.708 59.777 58.100 -0.051 0.000 1.149 397 Y CB -0.145 38.286 38.460 -0.048 0.000 0.976 397 Y HN -0.103 nan 8.280 nan 0.000 0.505 398 R N 0.293 120.716 120.500 -0.128 0.000 2.096 398 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 398 R C 2.142 178.306 176.300 -0.226 0.000 1.127 398 R CA 1.965 57.929 56.100 -0.227 0.000 0.968 398 R CB -0.167 30.084 30.300 -0.081 0.000 0.861 398 R HN 0.538 nan 8.270 nan 0.000 0.440 399 E N -0.436 119.677 120.200 -0.145 0.000 2.051 399 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 399 E C 0.431 176.940 176.600 -0.152 0.000 0.991 399 E CA 1.094 57.420 56.400 -0.124 0.000 0.799 399 E CB 0.147 29.802 29.700 -0.075 0.000 0.748 399 E HN 0.072 nan 8.360 nan 0.000 0.449 400 V N 1.412 121.227 119.914 -0.166 0.000 2.071 400 V HA 0.365 4.485 4.120 -0.000 0.000 0.254 400 V C -0.052 175.890 176.094 -0.253 0.000 1.456 400 V CA -0.038 62.165 62.300 -0.161 0.000 1.383 400 V CB -0.549 31.213 31.823 -0.100 0.000 1.433 400 V HN 0.204 nan 8.190 nan 0.000 0.499 401 A N 2.378 125.043 122.820 -0.260 0.000 2.609 401 A HA 1.041 5.361 4.320 -0.000 0.000 0.291 401 A C -0.641 176.777 177.584 -0.278 0.000 1.096 401 A CA -0.066 51.787 52.037 -0.306 0.000 0.684 401 A CB 2.112 20.869 19.000 -0.405 0.000 1.282 401 A HN 1.281 nan 8.150 nan 0.000 0.412 402 A N -0.752 121.894 122.820 -0.291 0.000 2.586 402 A HA 0.651 4.971 4.320 -0.000 0.000 0.291 402 A C -0.429 176.982 177.584 -0.288 0.000 1.062 402 A CA -0.503 51.348 52.037 -0.309 0.000 0.666 402 A CB -0.212 18.704 19.000 -0.139 0.000 1.281 402 A HN 1.069 nan 8.150 nan 0.000 0.421 403 F N 0.909 120.829 119.950 -0.050 0.000 2.234 403 F HA 0.146 4.673 4.527 -0.000 0.000 0.299 403 F C 2.169 177.941 175.800 -0.046 0.000 1.087 403 F CA 1.539 59.512 58.000 -0.045 0.000 1.340 403 F CB -0.137 38.846 39.000 -0.028 0.000 1.031 403 F HN 0.618 nan 8.300 nan 0.000 0.500 404 A N 1.027 123.927 122.820 0.135 0.000 2.785 404 A HA 0.059 4.379 4.320 -0.000 0.000 0.294 404 A C 1.349 178.937 177.584 0.007 0.000 1.597 404 A CA -0.210 51.880 52.037 0.088 0.000 1.283 404 A CB -0.533 18.525 19.000 0.096 0.000 1.088 404 A HN 0.492 nan 8.150 nan 0.000 0.568 405 Q N 0.963 120.710 119.800 -0.087 0.000 2.170 405 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 405 Q C -0.453 175.423 176.000 -0.206 0.000 0.976 405 Q CA 1.022 56.699 55.803 -0.211 0.000 0.858 405 Q CB -0.081 28.435 28.738 -0.370 0.000 0.907 405 Q HN 0.843 nan 8.270 nan 0.000 0.433 406 F N 0.901 120.865 119.950 0.024 0.000 2.652 406 F HA 0.302 4.829 4.527 0.000 0.000 0.352 406 F C 0.629 176.437 175.800 0.013 0.000 1.259 406 F CA -0.321 57.690 58.000 0.018 0.000 1.249 406 F CB 0.323 39.335 39.000 0.020 0.000 1.628 406 F HN -0.179 nan 8.300 nan 0.000 0.654 407 G N 0.404 109.287 108.800 0.138 0.000 2.737 407 G HA2 0.347 4.307 3.960 -0.000 0.000 0.290 407 G HA3 0.347 4.307 3.960 -0.000 0.000 0.290 407 G C -0.769 174.168 174.900 0.061 0.000 1.482 407 G CA -0.700 44.450 45.100 0.083 0.000 1.017 407 G HN 0.192 nan 8.290 nan 0.000 0.529 408 S N 2.852 118.587 115.700 0.058 0.000 2.498 408 S HA 0.207 4.677 4.470 -0.000 0.000 0.314 408 S C -0.196 174.419 174.600 0.025 0.000 1.141 408 S CA -0.302 57.923 58.200 0.042 0.000 1.087 408 S CB 0.234 63.457 63.200 0.037 0.000 1.178 408 S HN 0.580 nan 8.310 nan 0.000 0.533 409 D N 2.496 122.907 120.400 0.019 0.000 2.228 409 D HA 0.656 5.296 4.640 -0.000 0.000 0.247 409 D C 0.322 176.627 176.300 0.008 0.000 0.995 409 D CA -0.443 53.562 54.000 0.008 0.000 0.903 409 D CB 1.690 42.489 40.800 -0.002 0.000 1.205 409 D HN 0.272 nan 8.370 nan 0.000 0.459 410 L N -0.450 120.775 121.223 0.004 0.000 2.834 410 L HA 0.311 4.651 4.340 -0.000 0.000 0.236 410 L C -1.081 175.789 176.870 -0.000 0.000 1.457 410 L CA -0.951 53.891 54.840 0.003 0.000 1.512 410 L CB 0.746 42.807 42.059 0.004 0.000 1.761 410 L HN 0.433 nan 8.230 nan 0.000 0.515 411 D N -0.251 120.148 120.400 -0.002 0.000 4.736 411 D HA -0.097 4.543 4.640 -0.000 0.000 0.234 411 D C 0.598 176.894 176.300 -0.005 0.000 1.210 411 D CA 0.630 54.628 54.000 -0.005 0.000 1.126 411 D CB 0.021 40.817 40.800 -0.006 0.000 0.669 411 D HN 0.780 nan 8.370 nan 0.000 0.319 412 A N 3.814 126.629 122.820 -0.007 0.000 1.954 412 A HA -0.037 4.283 4.320 -0.000 0.000 0.222 412 A C 2.479 180.057 177.584 -0.011 0.000 1.199 412 A CA 3.493 55.524 52.037 -0.010 0.000 0.657 412 A CB -1.071 17.922 19.000 -0.012 0.000 0.823 412 A HN 1.324 nan 8.150 nan 0.000 0.463 413 A N -0.599 122.214 122.820 -0.012 0.000 1.841 413 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 413 A C 2.460 180.039 177.584 -0.009 0.000 1.199 413 A CA 3.116 55.145 52.037 -0.013 0.000 0.621 413 A CB -1.669 17.323 19.000 -0.013 0.000 0.835 413 A HN 0.874 nan 8.150 nan 0.000 0.445 414 T N -1.644 112.906 114.554 -0.006 0.000 2.833 414 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 414 T C 1.873 176.579 174.700 0.010 0.000 1.054 414 T CA 1.580 63.680 62.100 -0.001 0.000 1.135 414 T CB -0.441 68.422 68.868 -0.008 0.000 0.869 414 T HN 0.603 nan 8.240 nan 0.000 0.466 415 Q N 0.840 120.643 119.800 0.004 0.000 2.061 415 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 415 Q C 2.571 178.575 176.000 0.006 0.000 0.984 415 Q CA 1.714 57.522 55.803 0.008 0.000 0.846 415 Q CB -0.263 28.475 28.738 -0.000 0.000 0.902 415 Q HN 0.665 nan 8.270 nan 0.000 0.421 416 Q N 0.555 120.351 119.800 -0.007 0.000 2.124 416 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 416 Q C 2.038 178.029 176.000 -0.014 0.000 0.977 416 Q CA 0.883 56.672 55.803 -0.022 0.000 0.850 416 Q CB 0.007 28.725 28.738 -0.034 0.000 0.901 416 Q HN 0.394 nan 8.270 nan 0.000 0.429 417 L N 0.186 121.416 121.223 0.012 0.000 2.083 417 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 417 L C 2.363 179.305 176.870 0.120 0.000 1.083 417 L CA 0.900 55.767 54.840 0.045 0.000 0.752 417 L CB -0.482 41.607 42.059 0.049 0.000 0.899 417 L HN 0.306 nan 8.230 nan 0.000 0.433 418 L N -1.053 120.254 121.223 0.140 0.000 2.044 418 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 418 L C 2.773 179.667 176.870 0.040 0.000 1.075 418 L CA 0.887 55.878 54.840 0.251 0.000 0.747 418 L CB -0.516 41.644 42.059 0.168 0.000 0.903 418 L HN 0.151 nan 8.230 nan 0.000 0.435 419 S N -0.368 115.326 115.700 -0.010 0.000 2.359 419 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 419 S C 2.118 176.637 174.600 -0.135 0.000 1.039 419 S CA 1.137 59.298 58.200 -0.065 0.000 1.042 419 S CB -0.256 62.912 63.200 -0.053 0.000 0.915 419 S HN 0.291 nan 8.310 nan 0.000 0.439 420 R N 0.822 121.242 120.500 -0.133 0.000 2.070 420 R HA -0.043 4.297 4.340 -0.000 0.000 0.233 420 R C 2.669 178.800 176.300 -0.281 0.000 1.137 420 R CA 1.502 57.499 56.100 -0.172 0.000 0.945 420 R CB -1.514 28.709 30.300 -0.128 0.000 0.845 420 R HN 0.515 nan 8.270 nan 0.000 0.430 421 G N 1.078 109.634 108.800 -0.407 0.000 2.529 421 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 421 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 421 G C 1.552 175.829 174.900 -1.038 0.000 1.177 421 G CA 2.047 46.562 45.100 -0.975 0.000 0.773 421 G HN 0.336 nan 8.290 nan 0.000 0.573 422 V N -0.989 118.423 119.914 -0.836 0.000 2.407 422 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 422 V C 2.764 178.704 176.094 -0.257 0.000 1.055 422 V CA 2.012 64.059 62.300 -0.423 0.000 1.049 422 V CB -0.608 31.105 31.823 -0.184 0.000 0.662 422 V HN 0.196 nan 8.190 nan 0.000 0.455 423 R N 0.825 121.184 120.500 -0.234 0.000 2.066 423 R HA 0.106 4.446 4.340 -0.000 0.000 0.232 423 R C 2.414 178.620 176.300 -0.157 0.000 1.131 423 R CA 1.682 57.680 56.100 -0.169 0.000 0.955 423 R CB -1.238 28.959 30.300 -0.172 0.000 0.851 423 R HN 0.530 nan 8.270 nan 0.000 0.432 424 L N 0.515 121.626 121.223 -0.187 0.000 2.042 424 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 424 L C 2.362 179.168 176.870 -0.107 0.000 1.076 424 L CA 1.679 56.437 54.840 -0.138 0.000 0.749 424 L CB -0.980 40.992 42.059 -0.146 0.000 0.893 424 L HN 0.194 nan 8.230 nan 0.000 0.432 425 T N -0.892 113.575 114.554 -0.144 0.000 2.720 425 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 425 T C 1.788 176.462 174.700 -0.043 0.000 1.037 425 T CA 1.215 63.268 62.100 -0.079 0.000 1.144 425 T CB -0.154 68.663 68.868 -0.085 0.000 0.864 425 T HN 0.299 nan 8.240 nan 0.000 0.444 426 E N 0.914 121.081 120.200 -0.055 0.000 2.150 426 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 426 E C 2.259 178.856 176.600 -0.005 0.000 0.985 426 E CA 0.577 56.963 56.400 -0.023 0.000 0.814 426 E CB -0.322 29.363 29.700 -0.026 0.000 0.752 426 E HN 0.473 nan 8.360 nan 0.000 0.466 427 L N 0.210 121.422 121.223 -0.017 0.000 2.156 427 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 427 L C 2.321 179.203 176.870 0.020 0.000 1.095 427 L CA 0.573 55.419 54.840 0.009 0.000 0.770 427 L CB -0.196 41.860 42.059 -0.005 0.000 0.914 427 L HN 0.098 nan 8.230 nan 0.000 0.439 428 L N -0.606 120.621 121.223 0.008 0.000 2.478 428 L HA -0.051 4.289 4.340 -0.000 0.000 0.223 428 L C 0.830 177.714 176.870 0.024 0.000 1.140 428 L CA 0.305 55.155 54.840 0.018 0.000 0.842 428 L CB -0.341 41.727 42.059 0.015 0.000 0.953 428 L HN 0.115 nan 8.230 nan 0.000 0.452 429 K N 1.515 121.927 120.400 0.021 0.000 2.412 429 K HA 0.156 4.476 4.320 -0.000 0.000 0.281 429 K C -0.132 176.482 176.600 0.024 0.000 1.027 429 K CA 0.354 56.654 56.287 0.021 0.000 0.989 429 K CB 0.702 33.211 32.500 0.016 0.000 0.935 429 K HN 0.049 nan 8.250 nan 0.000 0.475 430 Q N 0.879 120.691 119.800 0.020 0.000 2.377 430 Q HA 0.375 4.715 4.340 -0.000 0.000 0.279 430 Q C -0.891 175.111 176.000 0.003 0.000 1.049 430 Q CA -0.683 55.130 55.803 0.016 0.000 0.825 430 Q CB 1.976 30.725 28.738 0.018 0.000 1.401 430 Q HN 0.783 nan 8.270 nan 0.000 0.404 431 G N 1.367 110.166 108.800 -0.001 0.000 2.547 431 G HA2 0.349 4.309 3.960 -0.000 0.000 0.291 431 G HA3 0.349 4.309 3.960 -0.000 0.000 0.291 431 G C -0.724 174.136 174.900 -0.068 0.000 1.211 431 G CA -0.316 44.771 45.100 -0.022 0.000 0.950 431 G HN 0.600 nan 8.290 nan 0.000 0.504 432 Q N -1.262 118.442 119.800 -0.160 0.000 2.312 432 Q HA 0.318 4.658 4.340 -0.000 0.000 0.236 432 Q C -0.510 175.297 176.000 -0.322 0.000 0.965 432 Q CA -0.313 55.244 55.803 -0.411 0.000 0.894 432 Q CB 0.701 28.947 28.738 -0.821 0.000 1.225 432 Q HN 0.561 nan 8.270 nan 0.000 0.478 433 Y N -1.767 118.542 120.300 0.016 0.000 4.851 433 Y HA -0.268 4.282 4.550 -0.000 0.000 0.235 433 Y C -0.090 175.814 175.900 0.007 0.000 0.998 433 Y CA 0.801 58.905 58.100 0.007 0.000 1.980 433 Y CB -2.077 36.383 38.460 0.001 0.000 1.561 433 Y HN 0.368 nan 8.280 nan 0.000 0.585 434 S N 0.793 116.545 115.700 0.086 0.000 2.130 434 S HA 0.465 4.935 4.470 -0.000 0.000 0.165 434 S C -2.352 172.267 174.600 0.032 0.000 1.677 434 S CA -0.976 57.260 58.200 0.059 0.000 1.227 434 S CB 1.365 64.594 63.200 0.048 0.000 1.115 434 S HN -0.053 nan 8.310 nan 0.000 0.452 435 P HA 0.368 nan 4.420 nan 0.000 0.274 435 P C -0.551 176.754 177.300 0.009 0.000 1.237 435 P CA -0.359 62.756 63.100 0.025 0.000 0.793 435 P CB 0.552 32.273 31.700 0.035 0.000 0.977 436 M N 0.968 120.573 119.600 0.008 0.000 2.465 436 M HA 0.553 5.033 4.480 -0.000 0.000 0.316 436 M C -0.108 176.186 176.300 -0.010 0.000 1.121 436 M CA -0.940 54.356 55.300 -0.006 0.000 0.934 436 M CB 2.264 34.865 32.600 0.002 0.000 1.692 436 M HN 0.290 nan 8.290 nan 0.000 0.444 437 A N 1.565 124.362 122.820 -0.038 0.000 2.425 437 A HA 0.196 4.516 4.320 -0.000 0.000 0.242 437 A C 0.935 178.515 177.584 -0.007 0.000 1.077 437 A CA -0.289 51.721 52.037 -0.045 0.000 0.781 437 A CB 0.120 19.069 19.000 -0.084 0.000 1.020 437 A HN 0.943 nan 8.150 nan 0.000 0.494 438 I N 0.880 121.464 120.570 0.024 0.000 2.208 438 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 438 I C 2.487 178.612 176.117 0.014 0.000 1.097 438 I CA 2.477 63.799 61.300 0.036 0.000 1.363 438 I CB -0.400 37.638 38.000 0.062 0.000 1.051 438 I HN 0.855 nan 8.210 nan 0.000 0.413 439 E N 0.469 120.666 120.200 -0.005 0.000 2.110 439 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 439 E C 1.806 178.385 176.600 -0.035 0.000 0.988 439 E CA 1.823 58.209 56.400 -0.023 0.000 0.804 439 E CB -0.810 28.865 29.700 -0.041 0.000 0.745 439 E HN 0.676 nan 8.360 nan 0.000 0.458 440 E N 0.848 121.022 120.200 -0.042 0.000 2.106 440 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 440 E C 2.345 178.939 176.600 -0.008 0.000 0.984 440 E CA 0.972 57.339 56.400 -0.055 0.000 0.806 440 E CB -0.054 29.607 29.700 -0.065 0.000 0.750 440 E HN 0.391 nan 8.360 nan 0.000 0.458 441 Q N 0.399 120.206 119.800 0.012 0.000 2.020 441 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 441 Q C 2.642 178.681 176.000 0.066 0.000 0.982 441 Q CA 1.992 57.819 55.803 0.040 0.000 0.838 441 Q CB -0.341 28.419 28.738 0.038 0.000 0.899 441 Q HN 0.340 nan 8.270 nan 0.000 0.423 442 V N -1.435 118.513 119.914 0.058 0.000 2.469 442 V HA -0.214 3.906 4.120 -0.000 0.000 0.251 442 V C 2.087 178.261 176.094 0.134 0.000 1.064 442 V CA 1.770 64.123 62.300 0.087 0.000 1.066 442 V CB -1.217 30.642 31.823 0.060 0.000 0.667 442 V HN 0.309 nan 8.190 nan 0.000 0.461 443 A N 1.561 124.435 122.820 0.091 0.000 1.855 443 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 443 A C 2.479 180.265 177.584 0.337 0.000 1.191 443 A CA 2.693 54.811 52.037 0.135 0.000 0.613 443 A CB -1.051 17.941 19.000 -0.013 0.000 0.829 443 A HN 1.166 nan 8.150 nan 0.000 0.442 444 V N -1.785 118.293 119.914 0.273 0.000 2.490 444 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 444 V C 2.122 178.360 176.094 0.240 0.000 1.061 444 V CA 1.677 64.180 62.300 0.338 0.000 1.064 444 V CB -0.936 31.020 31.823 0.221 0.000 0.670 444 V HN 0.396 nan 8.190 nan 0.000 0.461 445 I N -0.214 120.466 120.570 0.183 0.000 2.315 445 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 445 I C 2.534 178.741 176.117 0.150 0.000 1.117 445 I CA 1.867 63.242 61.300 0.126 0.000 1.404 445 I CB -1.458 36.601 38.000 0.098 0.000 1.071 445 I HN 0.458 nan 8.210 nan 0.000 0.419 446 Y N 2.250 122.608 120.300 0.096 0.000 2.151 446 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 446 Y C 2.617 178.610 175.900 0.155 0.000 1.166 446 Y CA 2.037 60.206 58.100 0.116 0.000 1.163 446 Y CB -0.252 38.296 38.460 0.147 0.000 0.974 446 Y HN 0.138 nan 8.280 nan 0.000 0.511 447 A N 0.205 123.217 122.820 0.320 0.000 1.849 447 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 447 A C 2.522 180.104 177.584 -0.002 0.000 1.202 447 A CA 2.285 54.458 52.037 0.227 0.000 0.629 447 A CB -1.800 17.204 19.000 0.006 0.000 0.834 447 A HN 0.603 nan 8.150 nan 0.000 0.447 448 G N -0.952 107.799 108.800 -0.083 0.000 2.421 448 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 448 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 448 G C 1.529 176.313 174.900 -0.193 0.000 1.171 448 G CA 1.284 46.288 45.100 -0.159 0.000 0.775 448 G HN 0.356 nan 8.290 nan 0.000 0.543 449 V N 1.186 120.998 119.914 -0.169 0.000 2.287 449 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 449 V C 2.883 178.794 176.094 -0.305 0.000 1.053 449 V CA 1.831 64.014 62.300 -0.196 0.000 1.027 449 V CB -0.407 31.326 31.823 -0.151 0.000 0.646 449 V HN 0.234 nan 8.190 nan 0.000 0.447 450 R N 0.142 120.360 120.500 -0.470 0.000 2.280 450 R HA 0.084 4.424 4.340 -0.000 0.000 0.207 450 R C 1.741 177.621 176.300 -0.700 0.000 1.043 450 R CA 0.854 56.555 56.100 -0.664 0.000 1.006 450 R CB -0.835 28.864 30.300 -1.002 0.000 0.885 450 R HN 0.707 nan 8.270 nan 0.000 0.467 451 G N 0.268 108.747 108.800 -0.536 0.000 2.131 451 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.223 451 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.223 451 G C 0.213 174.879 174.900 -0.390 0.000 0.990 451 G CA 0.049 44.903 45.100 -0.410 0.000 0.671 451 G HN 0.335 nan 8.290 nan 0.000 0.521 452 Y N -0.103 120.068 120.300 -0.216 0.000 2.632 452 Y HA 0.334 4.884 4.550 -0.000 0.000 0.301 452 Y C 2.451 178.152 175.900 -0.331 0.000 1.172 452 Y CA 1.008 58.979 58.100 -0.216 0.000 1.328 452 Y CB 0.045 38.388 38.460 -0.195 0.000 1.016 452 Y HN 0.419 nan 8.280 nan 0.000 0.529 453 L N -1.126 119.943 121.223 -0.256 0.000 2.766 453 L HA 0.108 4.448 4.340 -0.000 0.000 0.242 453 L C 0.992 177.742 176.870 -0.200 0.000 1.136 453 L CA 0.013 54.652 54.840 -0.335 0.000 0.933 453 L CB 0.153 41.972 42.059 -0.401 0.000 1.241 453 L HN -0.014 nan 8.230 nan 0.000 0.522 454 D N 1.088 121.389 120.400 -0.164 0.000 2.144 454 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 454 D C 1.442 177.694 176.300 -0.081 0.000 0.978 454 D CA 1.270 55.197 54.000 -0.122 0.000 0.833 454 D CB 0.149 40.874 40.800 -0.124 0.000 0.961 454 D HN 0.088 nan 8.370 nan 0.000 0.470 455 K N 0.254 120.615 120.400 -0.064 0.000 2.997 455 K HA 0.259 4.579 4.320 -0.000 0.000 0.249 455 K C -1.066 175.530 176.600 -0.008 0.000 1.284 455 K CA -0.242 56.029 56.287 -0.026 0.000 1.245 455 K CB -0.224 32.272 32.500 -0.006 0.000 1.670 455 K HN -0.089 nan 8.250 nan 0.000 0.385 456 L N 0.213 121.424 121.223 -0.021 0.000 2.556 456 L HA 0.286 4.626 4.340 -0.000 0.000 0.257 456 L C -1.368 175.507 176.870 0.009 0.000 0.955 456 L CA -0.416 54.434 54.840 0.017 0.000 0.850 456 L CB 2.148 44.204 42.059 -0.005 0.000 1.398 456 L HN 0.195 nan 8.230 nan 0.000 0.412 457 E N 4.611 124.838 120.200 0.044 0.000 2.384 457 E HA 0.127 4.477 4.350 -0.000 0.000 0.266 457 E C -1.842 174.776 176.600 0.029 0.000 1.012 457 E CA -1.236 55.183 56.400 0.033 0.000 0.901 457 E CB 0.613 30.340 29.700 0.045 0.000 0.967 457 E HN 0.446 nan 8.360 nan 0.000 0.435 458 P HA -0.235 nan 4.420 nan 0.000 0.216 458 P C 1.456 178.768 177.300 0.021 0.000 1.150 458 P CA 1.215 64.312 63.100 -0.005 0.000 0.843 458 P CB 0.219 31.912 31.700 -0.012 0.000 0.787 459 S N -0.939 114.784 115.700 0.039 0.000 2.368 459 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 459 S C 1.762 176.420 174.600 0.097 0.000 1.029 459 S CA 1.121 59.354 58.200 0.056 0.000 0.988 459 S CB -0.650 62.580 63.200 0.049 0.000 0.838 459 S HN -0.030 nan 8.310 nan 0.000 0.462 460 K N 1.283 121.762 120.400 0.132 0.000 2.362 460 K HA 0.072 4.392 4.320 -0.000 0.000 0.200 460 K C 1.855 178.612 176.600 0.262 0.000 1.046 460 K CA 0.270 56.706 56.287 0.248 0.000 0.952 460 K CB -0.458 32.234 32.500 0.321 0.000 0.753 460 K HN 0.420 nan 8.250 nan 0.000 0.466 461 I N 1.395 122.043 120.570 0.130 0.000 2.163 461 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 461 I C 1.972 178.175 176.117 0.143 0.000 1.085 461 I CA 1.572 62.913 61.300 0.068 0.000 1.347 461 I CB -1.726 36.263 38.000 -0.019 0.000 1.044 461 I HN 0.135 nan 8.210 nan 0.000 0.408 462 T N 0.776 115.403 114.554 0.121 0.000 2.684 462 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 462 T C 1.944 176.743 174.700 0.164 0.000 1.036 462 T CA 1.668 63.839 62.100 0.118 0.000 1.148 462 T CB -0.271 68.648 68.868 0.085 0.000 0.863 462 T HN 0.316 nan 8.240 nan 0.000 0.436 463 K N 0.202 120.729 120.400 0.213 0.000 2.097 463 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 463 K C 2.073 178.847 176.600 0.291 0.000 1.049 463 K CA 1.099 57.550 56.287 0.273 0.000 0.933 463 K CB -0.348 32.366 32.500 0.357 0.000 0.717 463 K HN 0.325 nan 8.250 nan 0.000 0.442 464 F N 2.093 122.073 119.950 0.049 0.000 2.126 464 F HA -0.198 4.329 4.527 0.000 0.000 0.299 464 F C 2.261 178.015 175.800 -0.077 0.000 1.096 464 F CA 2.043 59.880 58.000 -0.271 0.000 1.255 464 F CB -0.159 38.636 39.000 -0.342 0.000 0.997 464 F HN 0.184 nan 8.300 nan 0.000 0.479 465 E N 0.259 120.596 120.200 0.228 0.000 2.051 465 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 465 E C 0.623 177.250 176.600 0.046 0.000 0.991 465 E CA 1.390 57.887 56.400 0.163 0.000 0.799 465 E CB -0.298 29.497 29.700 0.157 0.000 0.748 465 E HN 0.402 nan 8.360 nan 0.000 0.449 466 N N -0.626 118.115 118.700 0.069 0.000 2.906 466 N HA 0.140 4.880 4.740 -0.000 0.000 0.282 466 N C -0.328 175.221 175.510 0.064 0.000 1.293 466 N CA 0.434 53.517 53.050 0.055 0.000 1.059 466 N CB 1.054 39.587 38.487 0.077 0.000 1.388 466 N HN 0.245 nan 8.380 nan 0.000 0.533 467 A N -0.789 122.030 122.820 -0.001 0.000 1.428 467 A HA 0.010 4.330 4.320 -0.000 0.000 0.209 467 A C 1.121 178.598 177.584 -0.179 0.000 1.887 467 A CA -0.354 51.715 52.037 0.054 0.000 1.545 467 A CB -0.799 18.372 19.000 0.285 0.000 1.456 467 A HN 0.246 nan 8.150 nan 0.000 0.330 468 F N 1.289 120.757 119.950 -0.804 0.000 2.186 468 F HA 0.031 4.558 4.527 0.000 0.000 0.299 468 F C 1.685 177.157 175.800 -0.548 0.000 1.090 468 F CA 1.907 59.098 58.000 -1.348 0.000 1.307 468 F CB -0.188 37.738 39.000 -1.790 0.000 1.019 468 F HN 0.217 nan 8.300 nan 0.000 0.489 469 L N 0.807 121.747 121.223 -0.470 0.000 1.955 469 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 469 L C 2.701 179.372 176.870 -0.331 0.000 1.072 469 L CA 2.612 57.214 54.840 -0.397 0.000 0.755 469 L CB -1.403 40.558 42.059 -0.163 0.000 0.888 469 L HN 0.304 nan 8.230 nan 0.000 0.432 470 S N -1.816 113.770 115.700 -0.190 0.000 2.419 470 S HA -0.295 4.175 4.470 -0.000 0.000 0.235 470 S C 2.087 176.622 174.600 -0.109 0.000 1.019 470 S CA 1.267 59.398 58.200 -0.115 0.000 0.982 470 S CB -1.209 61.966 63.200 -0.042 0.000 0.789 470 S HN 0.736 nan 8.310 nan 0.000 0.490 471 H N 1.709 120.623 119.070 -0.260 0.000 2.353 471 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 471 H C 2.163 177.380 175.328 -0.185 0.000 1.090 471 H CA 2.026 57.958 56.048 -0.194 0.000 1.327 471 H CB 0.002 29.605 29.762 -0.264 0.000 1.383 471 H HN 0.468 nan 8.280 nan 0.000 0.508 472 V N -1.243 118.356 119.914 -0.525 0.000 2.788 472 V HA -0.047 4.073 4.120 -0.000 0.000 0.251 472 V C 2.511 178.453 176.094 -0.254 0.000 1.068 472 V CA 0.891 62.920 62.300 -0.452 0.000 1.090 472 V CB -0.583 30.824 31.823 -0.693 0.000 0.710 472 V HN 0.266 nan 8.190 nan 0.000 0.467 473 I N 1.128 121.552 120.570 -0.244 0.000 2.202 473 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 473 I C 2.818 178.854 176.117 -0.135 0.000 1.091 473 I CA 1.945 63.146 61.300 -0.165 0.000 1.368 473 I CB -0.378 37.538 38.000 -0.141 0.000 1.058 473 I HN 0.459 nan 8.210 nan 0.000 0.410 474 S N 0.449 116.067 115.700 -0.136 0.000 2.331 474 S HA -0.126 4.344 4.470 -0.000 0.000 0.208 474 S C 1.640 176.140 174.600 -0.167 0.000 1.032 474 S CA 0.862 58.991 58.200 -0.119 0.000 0.991 474 S CB -0.125 63.026 63.200 -0.081 0.000 0.980 474 S HN 0.312 nan 8.310 nan 0.000 0.433 475 Q N 0.590 120.249 119.800 -0.234 0.000 2.344 475 Q HA 0.097 4.437 4.340 -0.000 0.000 0.212 475 Q C -0.427 175.136 176.000 -0.728 0.000 0.943 475 Q CA 0.552 56.114 55.803 -0.401 0.000 0.955 475 Q CB -0.412 28.086 28.738 -0.399 0.000 1.000 475 Q HN 0.739 nan 8.270 nan 0.000 0.488 476 H N -1.520 117.421 119.070 -0.214 0.000 3.411 476 H HA 0.134 4.690 4.556 -0.000 0.000 0.232 476 H C 0.925 176.156 175.328 -0.163 0.000 1.322 476 H CA -0.139 55.791 56.048 -0.198 0.000 1.077 476 H CB 0.641 30.246 29.762 -0.263 0.000 2.741 476 H HN -0.046 nan 8.280 nan 0.000 0.596 477 Q N 0.558 120.310 119.800 -0.080 0.000 2.181 477 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 477 Q C 2.259 178.226 176.000 -0.055 0.000 0.980 477 Q CA 1.349 57.109 55.803 -0.073 0.000 0.862 477 Q CB 0.069 28.760 28.738 -0.078 0.000 0.905 477 Q HN 0.626 nan 8.270 nan 0.000 0.429 478 A N 1.072 123.864 122.820 -0.047 0.000 1.877 478 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 478 A C 2.042 179.610 177.584 -0.026 0.000 1.186 478 A CA 1.112 53.129 52.037 -0.034 0.000 0.620 478 A CB -0.726 18.256 19.000 -0.031 0.000 0.822 478 A HN 0.371 nan 8.150 nan 0.000 0.443 479 L N 0.007 121.223 121.223 -0.011 0.000 1.994 479 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 479 L C 2.420 179.255 176.870 -0.059 0.000 1.071 479 L CA 2.027 56.847 54.840 -0.033 0.000 0.745 479 L CB -1.007 41.025 42.059 -0.044 0.000 0.892 479 L HN 0.464 nan 8.230 nan 0.000 0.431 480 L N -0.171 121.012 121.223 -0.067 0.000 2.042 480 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 480 L C 2.682 179.518 176.870 -0.057 0.000 1.076 480 L CA 1.398 56.193 54.840 -0.076 0.000 0.749 480 L CB -1.350 40.655 42.059 -0.089 0.000 0.893 480 L HN 0.392 nan 8.230 nan 0.000 0.432 481 G N -0.057 108.713 108.800 -0.050 0.000 2.442 481 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 481 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 481 G C 1.693 176.573 174.900 -0.032 0.000 1.141 481 G CA 0.620 45.695 45.100 -0.041 0.000 0.763 481 G HN 0.324 nan 8.290 nan 0.000 0.554 482 K N -0.001 120.380 120.400 -0.033 0.000 1.985 482 K HA 0.027 4.347 4.320 -0.000 0.000 0.210 482 K C 2.444 179.029 176.600 -0.025 0.000 1.047 482 K CA 1.201 57.472 56.287 -0.026 0.000 0.932 482 K CB -0.324 32.160 32.500 -0.028 0.000 0.716 482 K HN 0.298 nan 8.250 nan 0.000 0.439 483 I N 1.165 121.715 120.570 -0.034 0.000 2.264 483 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 483 I C 2.756 178.864 176.117 -0.016 0.000 1.111 483 I CA 1.002 62.285 61.300 -0.029 0.000 1.382 483 I CB -0.334 37.639 38.000 -0.043 0.000 1.060 483 I HN 0.220 nan 8.210 nan 0.000 0.418 484 R N 1.038 121.526 120.500 -0.019 0.000 2.066 484 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 484 R C 2.124 178.425 176.300 0.002 0.000 1.131 484 R CA 2.285 58.381 56.100 -0.008 0.000 0.955 484 R CB -0.673 29.615 30.300 -0.020 0.000 0.851 484 R HN 0.273 nan 8.270 nan 0.000 0.432 485 T N 0.900 115.451 114.554 -0.005 0.000 2.732 485 T HA -0.082 4.268 4.350 -0.000 0.000 0.261 485 T C 1.273 175.975 174.700 0.002 0.000 1.040 485 T CA 1.797 63.897 62.100 -0.000 0.000 1.145 485 T CB -0.350 68.514 68.868 -0.006 0.000 0.866 485 T HN 0.361 nan 8.240 nan 0.000 0.427 486 D N 0.500 120.899 120.400 -0.002 0.000 2.178 486 D HA 0.160 4.800 4.640 -0.000 0.000 0.202 486 D C 1.699 178.001 176.300 0.003 0.000 0.974 486 D CA 1.195 55.195 54.000 -0.000 0.000 0.841 486 D CB -0.366 40.432 40.800 -0.003 0.000 0.953 486 D HN 0.471 nan 8.370 nan 0.000 0.478 487 G N 0.540 109.342 108.800 0.004 0.000 2.168 487 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 487 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 487 G C 0.343 175.248 174.900 0.009 0.000 0.977 487 G CA 0.674 45.780 45.100 0.009 0.000 0.659 487 G HN 0.479 nan 8.290 nan 0.000 0.533 488 K N 0.018 120.421 120.400 0.006 0.000 2.553 488 K HA 0.577 4.897 4.320 -0.000 0.000 0.250 488 K C -0.208 176.394 176.600 0.004 0.000 0.953 488 K CA -1.221 55.072 56.287 0.009 0.000 0.800 488 K CB 1.037 33.542 32.500 0.010 0.000 1.243 488 K HN 0.093 nan 8.250 nan 0.000 0.435 489 I N 4.487 125.062 120.570 0.008 0.000 2.421 489 I HA 0.018 4.188 4.170 -0.000 0.000 0.291 489 I C 0.706 176.827 176.117 0.007 0.000 1.089 489 I CA -0.176 61.121 61.300 -0.004 0.000 1.354 489 I CB 0.848 38.846 38.000 -0.003 0.000 1.413 489 I HN 0.647 nan 8.210 nan 0.000 0.513 490 S N 4.203 119.902 115.700 -0.001 0.000 2.600 490 S HA 0.160 4.630 4.470 -0.000 0.000 0.265 490 S C 0.953 175.560 174.600 0.012 0.000 1.325 490 S CA -0.638 57.566 58.200 0.006 0.000 1.002 490 S CB 1.284 64.484 63.200 0.002 0.000 0.921 490 S HN 0.645 nan 8.310 nan 0.000 0.554 491 E N 0.345 120.556 120.200 0.020 0.000 2.118 491 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 491 E C 1.917 178.530 176.600 0.022 0.000 0.992 491 E CA 1.145 57.562 56.400 0.029 0.000 0.804 491 E CB -0.098 29.619 29.700 0.028 0.000 0.741 491 E HN 0.740 nan 8.360 nan 0.000 0.458 492 E N 0.851 121.058 120.200 0.012 0.000 2.031 492 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 492 E C 2.119 178.716 176.600 -0.004 0.000 0.994 492 E CA 1.245 57.649 56.400 0.007 0.000 0.800 492 E CB -0.046 29.656 29.700 0.004 0.000 0.752 492 E HN 0.046 nan 8.360 nan 0.000 0.447 493 S N 1.206 116.895 115.700 -0.018 0.000 2.399 493 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 493 S C 1.591 176.144 174.600 -0.078 0.000 1.022 493 S CA 1.113 59.284 58.200 -0.048 0.000 0.983 493 S CB -0.250 62.918 63.200 -0.053 0.000 0.803 493 S HN 0.374 nan 8.310 nan 0.000 0.480 494 D N 1.581 121.958 120.400 -0.039 0.000 2.077 494 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 494 D C 2.150 178.466 176.300 0.028 0.000 0.986 494 D CA 1.271 55.260 54.000 -0.017 0.000 0.829 494 D CB -0.124 40.724 40.800 0.081 0.000 0.983 494 D HN 0.351 nan 8.370 nan 0.000 0.453 495 A N 1.133 123.984 122.820 0.052 0.000 1.972 495 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 495 A C 2.180 179.786 177.584 0.038 0.000 1.169 495 A CA 1.707 53.785 52.037 0.069 0.000 0.635 495 A CB -0.523 18.511 19.000 0.056 0.000 0.810 495 A HN 0.260 nan 8.150 nan 0.000 0.446 496 K N -0.834 119.566 120.400 -0.001 0.000 2.026 496 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 496 K C 1.870 178.433 176.600 -0.062 0.000 1.048 496 K CA 1.566 57.842 56.287 -0.018 0.000 0.929 496 K CB -0.284 32.199 32.500 -0.027 0.000 0.713 496 K HN 0.338 nan 8.250 nan 0.000 0.439 497 L N 1.990 123.135 121.223 -0.130 0.000 2.141 497 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 497 L C 2.199 179.012 176.870 -0.095 0.000 1.094 497 L CA 1.716 56.423 54.840 -0.221 0.000 0.763 497 L CB -0.500 41.268 42.059 -0.485 0.000 0.908 497 L HN 0.148 nan 8.230 nan 0.000 0.437 498 K N -0.428 119.998 120.400 0.043 0.000 2.032 498 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 498 K C 2.113 178.730 176.600 0.028 0.000 1.048 498 K CA 1.922 58.308 56.287 0.164 0.000 0.927 498 K CB -0.190 32.452 32.500 0.237 0.000 0.712 498 K HN 0.541 nan 8.250 nan 0.000 0.441 499 E N 0.627 120.846 120.200 0.032 0.000 2.047 499 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 499 E C 2.104 178.723 176.600 0.032 0.000 0.987 499 E CA 1.247 57.670 56.400 0.038 0.000 0.799 499 E CB -0.110 29.621 29.700 0.050 0.000 0.752 499 E HN 0.356 nan 8.360 nan 0.000 0.449 500 I N 1.252 121.813 120.570 -0.014 0.000 2.113 500 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 500 I C 2.700 178.889 176.117 0.121 0.000 1.064 500 I CA 1.775 63.050 61.300 -0.041 0.000 1.320 500 I CB -0.664 37.112 38.000 -0.373 0.000 1.028 500 I HN 0.203 nan 8.210 nan 0.000 0.406 501 V N -2.094 117.829 119.914 0.015 0.000 2.343 501 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 501 V C 2.323 178.381 176.094 -0.059 0.000 1.051 501 V CA 2.323 64.574 62.300 -0.083 0.000 1.036 501 V CB -1.558 29.917 31.823 -0.580 0.000 0.654 501 V HN 0.383 nan 8.190 nan 0.000 0.451 502 T N 1.280 115.764 114.554 -0.117 0.000 2.684 502 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 502 T C 1.777 176.530 174.700 0.087 0.000 1.036 502 T CA 2.480 64.579 62.100 -0.002 0.000 1.148 502 T CB -0.740 68.148 68.868 0.033 0.000 0.863 502 T HN 0.717 nan 8.240 nan 0.000 0.436 503 N N 0.185 118.960 118.700 0.126 0.000 2.149 503 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 503 N C 1.590 177.196 175.510 0.160 0.000 1.019 503 N CA 1.058 54.198 53.050 0.151 0.000 0.857 503 N CB -0.265 38.344 38.487 0.203 0.000 0.997 503 N HN 0.294 nan 8.380 nan 0.000 0.426 504 F N 1.404 121.395 119.950 0.069 0.000 2.146 504 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 504 F C 1.894 177.719 175.800 0.042 0.000 1.096 504 F CA 0.855 58.832 58.000 -0.038 0.000 1.275 504 F CB -0.102 38.867 39.000 -0.053 0.000 1.008 504 F HN -0.034 nan 8.300 nan 0.000 0.480 505 L N 0.310 121.627 121.223 0.156 0.000 2.079 505 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 505 L C 2.638 179.539 176.870 0.052 0.000 1.081 505 L CA 1.876 56.806 54.840 0.151 0.000 0.752 505 L CB -2.078 40.084 42.059 0.172 0.000 0.896 505 L HN 0.308 nan 8.230 nan 0.000 0.433 506 A N -0.992 121.844 122.820 0.026 0.000 2.121 506 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 506 A C 1.961 179.517 177.584 -0.046 0.000 1.154 506 A CA 1.386 53.427 52.037 0.006 0.000 0.679 506 A CB -0.509 18.505 19.000 0.023 0.000 0.795 506 A HN 0.461 nan 8.150 nan 0.000 0.458 507 G N -2.174 106.553 108.800 -0.122 0.000 3.528 507 G HA2 0.340 4.300 3.960 -0.000 0.000 0.266 507 G HA3 0.340 4.300 3.960 -0.000 0.000 0.266 507 G C -0.101 174.625 174.900 -0.291 0.000 1.004 507 G CA -0.289 44.705 45.100 -0.177 0.000 0.853 507 G HN 0.252 nan 8.290 nan 0.000 0.501 508 F N 2.727 122.348 119.950 -0.547 0.000 2.494 508 F HA 0.532 5.059 4.527 -0.000 0.000 0.369 508 F C 0.319 175.967 175.800 -0.253 0.000 1.098 508 F CA -1.732 55.900 58.000 -0.613 0.000 1.154 508 F CB 0.820 39.502 39.000 -0.530 0.000 1.103 508 F HN 0.050 nan 8.300 nan 0.000 0.549 509 E N 4.864 124.698 120.200 -0.609 0.000 2.343 509 E HA 0.637 4.987 4.350 -0.000 0.000 0.269 509 E C -1.090 174.992 176.600 -0.863 0.000 1.047 509 E CA -0.310 55.769 56.400 -0.535 0.000 0.874 509 E CB 1.240 30.767 29.700 -0.288 0.000 1.033 509 E HN 0.760 nan 8.360 nan 0.000 0.409 510 A N 0.000 122.488 122.820 -0.553 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.774 52.037 -0.438 0.000 0.836 510 A CB 0.000 18.810 19.000 -0.317 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486