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 3qbp_1_A DATA FIRST_RESID 26 DATA SEQUENCE RVPAKALWRA QTQRAVENFP ISGRGLERAQ IRALGLLKGA CAQVNMDLGL DATA SEQUENCE LAPEKAEAII AAAAEIADGQ HDDQFPIDVF QTGSGTSSNM NTNEVIASIA DATA SEQUENCE GANGVAVHPN DDVNMSQSSN DTFPTATHIA ATEAAVSHLI PALEILQDAL DATA SEQUENCE ATKALEWQSV VKSGRTHLMD AVPVTLGQEF SGYARQIEAG IERVRATLPR DATA SEQUENCE LGELAIGGTA VGTGLNAPEG FGVKVVSVLV SQTGLPQLRT AANSFEAQAA DATA SEQUENCE RDGLVEASGA LRTIAVSLTK IANDIRWMGS GPLTGLAEIQ LPDLXXXXXX DATA SEQUENCE MPGKVNPVLP EAVTQVAAQV IGNDAAVAWG GANGAFELNV YIPMMARNIL DATA SEQUENCE ESFTLLTNVS KLFAQRCIAG LTANAEHLRE LAESSPSIVT PLNSAIGYEE DATA SEQUENCE AAAVAKQALK ERKTIRQTVI DRGLIGDKLS LEELDRRLDV LAMAKVE 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 26 R HA 0.000 nan 4.340 nan 0.000 0.208 26 R C 0.000 176.323 176.300 0.039 0.000 0.893 26 R CA 0.000 56.112 56.100 0.020 0.000 0.921 26 R CB 0.000 30.311 30.300 0.019 0.000 0.687 27 V N 4.096 124.013 119.914 0.005 0.000 2.709 27 V HA 0.757 4.866 4.120 -0.018 0.000 0.308 27 V C -1.869 174.171 176.094 -0.090 0.000 1.062 27 V CA -1.816 60.471 62.300 -0.021 0.000 0.901 27 V CB 1.978 33.736 31.823 -0.108 0.000 1.003 27 V HN 0.954 nan 8.190 nan 0.000 0.425 28 P HA 0.084 nan 4.420 nan 0.000 0.267 28 P C 0.715 177.893 177.300 -0.202 0.000 1.195 28 P CA 0.165 63.192 63.100 -0.122 0.000 0.773 28 P CB 0.642 32.280 31.700 -0.104 0.000 0.837 29 A N 2.347 125.087 122.820 -0.134 0.000 1.872 29 A HA -0.007 4.302 4.320 -0.018 0.000 0.214 29 A C 2.078 179.569 177.584 -0.155 0.000 1.187 29 A CA 2.059 54.021 52.037 -0.126 0.000 0.614 29 A CB -1.345 17.611 19.000 -0.074 0.000 0.826 29 A HN 0.564 nan 8.150 nan 0.000 0.442 30 K N -0.284 120.027 120.400 -0.147 0.000 2.525 30 K HA 0.616 4.925 4.320 -0.018 0.000 0.192 30 K C 0.688 177.152 176.600 -0.226 0.000 1.029 30 K CA 0.807 57.013 56.287 -0.134 0.000 1.029 30 K CB -1.280 31.179 32.500 -0.069 0.000 0.814 30 K HN 0.916 nan 8.250 nan 0.000 0.503 31 A N 0.422 122.986 122.820 -0.426 0.000 2.366 31 A HA 0.606 4.915 4.320 -0.018 0.000 0.272 31 A C 0.993 178.223 177.584 -0.590 0.000 1.135 31 A CA -0.506 51.047 52.037 -0.807 0.000 0.804 31 A CB 0.287 18.271 19.000 -1.694 0.000 1.064 31 A HN 0.346 nan 8.150 nan 0.000 0.499 32 L N 0.985 121.965 121.223 -0.405 0.000 2.529 32 L HA 0.109 4.439 4.340 -0.018 0.000 0.223 32 L C 1.004 177.778 176.870 -0.161 0.000 1.113 32 L CA -0.328 54.373 54.840 -0.232 0.000 0.861 32 L CB -0.364 41.603 42.059 -0.155 0.000 1.012 32 L HN 0.943 nan 8.230 nan 0.000 0.461 33 W N 1.001 122.215 121.300 -0.143 0.000 1.992 33 W HA 0.490 5.140 4.660 -0.017 0.000 0.360 33 W C 0.511 176.982 176.519 -0.081 0.000 1.369 33 W CA -0.884 56.377 57.345 -0.140 0.000 1.403 33 W CB 0.244 29.605 29.460 -0.164 0.000 1.215 33 W HN -0.225 nan 8.180 nan 0.000 0.643 34 R N -0.043 120.601 120.500 0.239 0.000 3.416 34 R HA 0.608 4.937 4.340 -0.018 0.000 0.236 34 R C 1.573 177.987 176.300 0.189 0.000 1.576 34 R CA -0.437 55.734 56.100 0.118 0.000 1.011 34 R CB 0.011 30.344 30.300 0.055 0.000 1.670 34 R HN 0.565 nan 8.270 nan 0.000 0.519 35 A N 0.760 123.642 122.820 0.103 0.000 1.883 35 A HA -0.195 4.115 4.320 -0.018 0.000 0.217 35 A C 1.880 179.513 177.584 0.082 0.000 1.186 35 A CA 1.444 53.533 52.037 0.087 0.000 0.624 35 A CB -0.541 18.488 19.000 0.049 0.000 0.822 35 A HN 0.490 nan 8.150 nan 0.000 0.444 36 Q N -0.555 119.287 119.800 0.070 0.000 2.084 36 Q HA -0.125 4.204 4.340 -0.018 0.000 0.202 36 Q C 2.206 178.229 176.000 0.039 0.000 0.978 36 Q CA 2.033 57.865 55.803 0.048 0.000 0.844 36 Q CB -1.045 27.720 28.738 0.045 0.000 0.898 36 Q HN 0.686 nan 8.270 nan 0.000 0.426 37 T N 1.222 115.809 114.554 0.054 0.000 2.777 37 T HA -0.168 4.171 4.350 -0.018 0.000 0.266 37 T C 1.863 176.511 174.700 -0.088 0.000 1.040 37 T CA 1.489 63.560 62.100 -0.049 0.000 1.141 37 T CB -0.123 68.674 68.868 -0.118 0.000 0.868 37 T HN 0.172 nan 8.240 nan 0.000 0.444 38 Q N 1.303 121.156 119.800 0.087 0.000 2.124 38 Q HA -0.100 4.230 4.340 -0.018 0.000 0.202 38 Q C 2.538 178.549 176.000 0.018 0.000 0.977 38 Q CA 2.238 58.107 55.803 0.110 0.000 0.850 38 Q CB -0.475 28.406 28.738 0.238 0.000 0.901 38 Q HN 0.545 nan 8.270 nan 0.000 0.429 39 R N 0.142 120.645 120.500 0.006 0.000 2.081 39 R HA 0.053 4.383 4.340 -0.018 0.000 0.235 39 R C 2.333 178.572 176.300 -0.101 0.000 1.131 39 R CA 1.827 57.902 56.100 -0.042 0.000 0.960 39 R CB -1.797 28.483 30.300 -0.033 0.000 0.856 39 R HN 0.514 nan 8.270 nan 0.000 0.436 40 A N 0.318 123.103 122.820 -0.059 0.000 1.933 40 A HA 0.024 4.333 4.320 -0.018 0.000 0.218 40 A C 2.582 180.154 177.584 -0.021 0.000 1.175 40 A CA 1.608 53.635 52.037 -0.016 0.000 0.628 40 A CB -0.459 18.621 19.000 0.134 0.000 0.814 40 A HN 0.346 nan 8.150 nan 0.000 0.444 41 V N -0.037 119.838 119.914 -0.066 0.000 2.343 41 V HA -0.269 3.840 4.120 -0.018 0.000 0.247 41 V C 2.392 178.455 176.094 -0.052 0.000 1.051 41 V CA 2.390 64.651 62.300 -0.066 0.000 1.036 41 V CB -0.738 31.014 31.823 -0.118 0.000 0.654 41 V HN 0.663 nan 8.190 nan 0.000 0.451 42 E N -0.089 120.065 120.200 -0.077 0.000 2.152 42 E HA -0.146 4.194 4.350 -0.018 0.000 0.192 42 E C 2.031 178.534 176.600 -0.162 0.000 0.983 42 E CA 0.961 57.310 56.400 -0.086 0.000 0.818 42 E CB -0.124 29.538 29.700 -0.064 0.000 0.758 42 E HN 0.542 nan 8.360 nan 0.000 0.467 43 N N -0.083 118.427 118.700 -0.316 0.000 2.300 43 N HA -0.048 4.681 4.740 -0.018 0.000 0.179 43 N C 0.007 175.148 175.510 -0.615 0.000 1.016 43 N CA 0.819 53.516 53.050 -0.589 0.000 0.876 43 N CB 0.231 38.093 38.487 -1.041 0.000 0.979 43 N HN 0.085 nan 8.380 nan 0.000 0.432 44 F N 1.015 120.956 119.950 -0.014 0.000 2.664 44 F HA 0.350 4.866 4.527 -0.018 0.000 0.322 44 F C -2.111 173.695 175.800 0.009 0.000 1.324 44 F CA -2.278 55.723 58.000 0.003 0.000 1.154 44 F CB 0.807 39.813 39.000 0.010 0.000 1.236 44 F HN -0.168 nan 8.300 nan 0.000 0.532 45 P HA 0.239 nan 4.420 nan 0.000 0.244 45 P C 0.540 177.888 177.300 0.079 0.000 1.769 45 P CA 0.487 63.634 63.100 0.078 0.000 1.102 45 P CB 0.498 32.217 31.700 0.031 0.000 1.937 46 I N 1.123 121.760 120.570 0.113 0.000 3.345 46 I HA -0.046 4.113 4.170 -0.018 0.000 0.258 46 I C 2.040 178.186 176.117 0.047 0.000 1.134 46 I CA 0.830 62.173 61.300 0.071 0.000 1.457 46 I CB -0.114 37.947 38.000 0.102 0.000 1.425 46 I HN 0.165 nan 8.210 nan 0.000 0.461 47 S N -0.051 115.726 115.700 0.128 0.000 2.506 47 S HA 0.260 4.719 4.470 -0.018 0.000 0.219 47 S C 1.665 176.322 174.600 0.095 0.000 1.031 47 S CA 0.553 58.828 58.200 0.124 0.000 0.911 47 S CB 0.903 64.272 63.200 0.281 0.000 0.812 47 S HN 0.583 nan 8.310 nan 0.000 0.497 48 G N 1.774 110.629 108.800 0.091 0.000 2.148 48 G HA2 -0.208 3.741 3.960 -0.018 0.000 0.254 48 G HA3 -0.208 3.741 3.960 -0.018 0.000 0.254 48 G C -0.049 174.886 174.900 0.059 0.000 0.981 48 G CA 0.087 45.224 45.100 0.063 0.000 0.670 48 G HN 0.544 nan 8.290 nan 0.000 0.528 49 R N 0.098 120.641 120.500 0.073 0.000 2.599 49 R HA 0.657 4.986 4.340 -0.018 0.000 0.295 49 R C 0.601 176.920 176.300 0.032 0.000 0.963 49 R CA 0.036 56.168 56.100 0.052 0.000 0.883 49 R CB 1.666 32.002 30.300 0.059 0.000 1.171 49 R HN 0.317 nan 8.270 nan 0.000 0.450 50 G N 1.528 110.341 108.800 0.023 0.000 2.671 50 G HA2 0.473 4.423 3.960 -0.018 0.000 0.275 50 G HA3 0.473 4.423 3.960 -0.018 0.000 0.275 50 G C -0.102 174.805 174.900 0.012 0.000 1.368 50 G CA -0.928 44.181 45.100 0.016 0.000 1.044 50 G HN 0.348 nan 8.290 nan 0.000 0.543 51 L N 0.670 121.911 121.223 0.030 0.000 2.506 51 L HA 0.128 4.458 4.340 -0.018 0.000 0.281 51 L C 0.598 177.460 176.870 -0.013 0.000 1.228 51 L CA -0.285 54.562 54.840 0.013 0.000 0.850 51 L CB 0.170 42.239 42.059 0.017 0.000 1.110 51 L HN 0.386 nan 8.230 nan 0.000 0.496 52 E N 1.371 121.551 120.200 -0.033 0.000 2.371 52 E HA 0.122 4.461 4.350 -0.018 0.000 0.257 52 E C 1.284 177.837 176.600 -0.078 0.000 1.134 52 E CA 0.098 56.471 56.400 -0.045 0.000 0.919 52 E CB 0.448 30.121 29.700 -0.045 0.000 1.025 52 E HN 0.565 nan 8.360 nan 0.000 0.438 53 R N 1.342 121.799 120.500 -0.071 0.000 2.113 53 R HA -0.190 4.139 4.340 -0.018 0.000 0.244 53 R C 2.207 178.438 176.300 -0.115 0.000 1.142 53 R CA 2.650 58.697 56.100 -0.087 0.000 0.953 53 R CB -1.728 28.534 30.300 -0.064 0.000 0.860 53 R HN 0.598 nan 8.270 nan 0.000 0.438 54 A N 0.468 123.219 122.820 -0.115 0.000 1.972 54 A HA -0.204 4.106 4.320 -0.018 0.000 0.219 54 A C 2.358 179.859 177.584 -0.140 0.000 1.169 54 A CA 1.625 53.587 52.037 -0.126 0.000 0.635 54 A CB -0.271 18.645 19.000 -0.139 0.000 0.810 54 A HN 0.740 nan 8.150 nan 0.000 0.446 55 Q N -0.572 119.141 119.800 -0.145 0.000 2.049 55 Q HA -0.042 4.288 4.340 -0.018 0.000 0.198 55 Q C 2.009 177.880 176.000 -0.216 0.000 0.971 55 Q CA 1.398 57.098 55.803 -0.172 0.000 0.833 55 Q CB -0.296 28.365 28.738 -0.128 0.000 0.896 55 Q HN 0.722 nan 8.270 nan 0.000 0.434 56 I N 0.678 121.081 120.570 -0.278 0.000 2.208 56 I HA -0.326 3.834 4.170 -0.018 0.000 0.245 56 I C 2.671 178.603 176.117 -0.308 0.000 1.097 56 I CA 1.290 62.298 61.300 -0.487 0.000 1.363 56 I CB -0.291 37.324 38.000 -0.642 0.000 1.051 56 I HN 0.165 nan 8.210 nan 0.000 0.413 57 R N 1.410 121.793 120.500 -0.195 0.000 2.083 57 R HA -0.205 4.124 4.340 -0.018 0.000 0.237 57 R C 2.344 178.583 176.300 -0.102 0.000 1.137 57 R CA 1.814 57.844 56.100 -0.117 0.000 0.951 57 R CB -0.346 29.902 30.300 -0.086 0.000 0.851 57 R HN 0.345 nan 8.270 nan 0.000 0.434 58 A N 1.069 123.815 122.820 -0.122 0.000 1.933 58 A HA -0.100 4.209 4.320 -0.018 0.000 0.218 58 A C 2.230 179.759 177.584 -0.093 0.000 1.175 58 A CA 1.227 53.199 52.037 -0.108 0.000 0.628 58 A CB -0.507 18.410 19.000 -0.137 0.000 0.814 58 A HN 0.377 nan 8.150 nan 0.000 0.444 59 L N -0.677 120.481 121.223 -0.109 0.000 2.042 59 L HA -0.154 4.175 4.340 -0.018 0.000 0.210 59 L C 2.842 179.714 176.870 0.002 0.000 1.076 59 L CA 1.207 56.020 54.840 -0.045 0.000 0.749 59 L CB -0.751 41.293 42.059 -0.025 0.000 0.893 59 L HN 0.490 nan 8.230 nan 0.000 0.432 60 G N -0.135 108.658 108.800 -0.013 0.000 2.421 60 G HA2 -0.213 3.737 3.960 -0.018 0.000 0.216 60 G HA3 -0.213 3.737 3.960 -0.018 0.000 0.216 60 G C 1.619 176.532 174.900 0.021 0.000 1.171 60 G CA 0.583 45.702 45.100 0.032 0.000 0.775 60 G HN 0.218 nan 8.290 nan 0.000 0.543 61 L N -0.360 120.859 121.223 -0.006 0.000 2.012 61 L HA -0.089 4.240 4.340 -0.018 0.000 0.210 61 L C 2.724 179.589 176.870 -0.008 0.000 1.073 61 L CA 0.784 55.618 54.840 -0.011 0.000 0.748 61 L CB -0.488 41.554 42.059 -0.028 0.000 0.891 61 L HN 0.243 nan 8.230 nan 0.000 0.431 62 L N -0.128 121.090 121.223 -0.009 0.000 2.012 62 L HA -0.210 4.119 4.340 -0.018 0.000 0.210 62 L C 2.573 179.461 176.870 0.029 0.000 1.073 62 L CA 1.863 56.703 54.840 -0.000 0.000 0.748 62 L CB -0.608 41.452 42.059 0.001 0.000 0.891 62 L HN 0.077 nan 8.230 nan 0.000 0.431 63 K N -0.112 120.317 120.400 0.049 0.000 2.097 63 K HA -0.017 4.293 4.320 -0.018 0.000 0.206 63 K C 2.061 178.697 176.600 0.060 0.000 1.049 63 K CA 1.204 57.533 56.287 0.071 0.000 0.933 63 K CB -1.107 31.444 32.500 0.085 0.000 0.717 63 K HN 0.540 nan 8.250 nan 0.000 0.442 64 G N 1.195 110.021 108.800 0.042 0.000 2.418 64 G HA2 -0.223 3.727 3.960 -0.018 0.000 0.217 64 G HA3 -0.223 3.727 3.960 -0.018 0.000 0.217 64 G C 1.722 176.634 174.900 0.021 0.000 1.158 64 G CA 1.140 46.260 45.100 0.033 0.000 0.771 64 G HN 0.374 nan 8.290 nan 0.000 0.545 65 A N -0.041 122.781 122.820 0.002 0.000 1.902 65 A HA -0.056 4.253 4.320 -0.018 0.000 0.217 65 A C 2.579 180.144 177.584 -0.032 0.000 1.181 65 A CA 1.758 53.777 52.037 -0.030 0.000 0.623 65 A CB -0.974 17.989 19.000 -0.061 0.000 0.818 65 A HN 0.418 nan 8.150 nan 0.000 0.443 66 C N -1.025 118.289 119.300 0.023 0.000 2.429 66 C HA 0.043 4.492 4.460 -0.018 0.000 0.277 66 C C 3.320 178.418 174.990 0.180 0.000 1.262 66 C CA 0.838 59.941 59.018 0.143 0.000 1.733 66 C CB -1.325 26.579 27.740 0.274 0.000 2.010 66 C HN 0.703 nan 8.230 nan 0.000 0.483 67 A N -0.067 122.822 122.820 0.114 0.000 1.930 67 A HA -0.229 4.080 4.320 -0.018 0.000 0.217 67 A C 2.063 179.691 177.584 0.074 0.000 1.175 67 A CA 2.059 54.153 52.037 0.094 0.000 0.627 67 A CB -0.677 18.363 19.000 0.067 0.000 0.815 67 A HN 0.607 nan 8.150 nan 0.000 0.443 68 Q N 0.044 119.872 119.800 0.047 0.000 2.061 68 Q HA -0.126 4.203 4.340 -0.018 0.000 0.204 68 Q C 1.848 177.869 176.000 0.036 0.000 0.984 68 Q CA 2.435 58.255 55.803 0.028 0.000 0.846 68 Q CB -0.607 28.133 28.738 0.004 0.000 0.902 68 Q HN 0.325 nan 8.270 nan 0.000 0.421 69 V N 1.304 121.238 119.914 0.033 0.000 2.358 69 V HA -0.235 3.874 4.120 -0.018 0.000 0.246 69 V C 2.011 178.195 176.094 0.149 0.000 1.047 69 V CA 1.921 64.248 62.300 0.044 0.000 1.035 69 V CB -0.763 31.003 31.823 -0.096 0.000 0.658 69 V HN 0.445 nan 8.190 nan 0.000 0.452 70 N N -0.265 118.564 118.700 0.216 0.000 2.166 70 N HA -0.173 4.556 4.740 -0.018 0.000 0.186 70 N C 1.778 177.346 175.510 0.097 0.000 1.019 70 N CA 1.773 54.929 53.050 0.176 0.000 0.856 70 N CB -0.317 38.259 38.487 0.148 0.000 0.993 70 N HN 0.490 nan 8.380 nan 0.000 0.426 71 M N 0.909 120.555 119.600 0.077 0.000 2.099 71 M HA -0.144 4.325 4.480 -0.018 0.000 0.262 71 M C 0.829 177.156 176.300 0.044 0.000 1.067 71 M CA 1.605 56.935 55.300 0.050 0.000 1.124 71 M CB -0.001 32.623 32.600 0.039 0.000 1.353 71 M HN -0.114 nan 8.290 nan 0.000 0.410 72 D N 0.767 121.194 120.400 0.045 0.000 2.158 72 D HA -0.158 4.471 4.640 -0.018 0.000 0.197 72 D C 1.843 178.167 176.300 0.041 0.000 0.995 72 D CA 1.380 55.401 54.000 0.035 0.000 0.846 72 D CB -0.372 40.444 40.800 0.027 0.000 0.941 72 D HN 0.427 nan 8.370 nan 0.000 0.456 73 L N -0.707 120.551 121.223 0.059 0.000 2.591 73 L HA 0.160 4.490 4.340 -0.018 0.000 0.228 73 L C 1.485 178.381 176.870 0.043 0.000 1.133 73 L CA 0.354 55.229 54.840 0.058 0.000 0.880 73 L CB -0.056 42.055 42.059 0.087 0.000 1.033 73 L HN 0.111 nan 8.230 nan 0.000 0.450 74 G N 0.105 108.928 108.800 0.038 0.000 2.143 74 G HA2 -0.292 3.658 3.960 -0.018 0.000 0.248 74 G HA3 -0.292 3.658 3.960 -0.018 0.000 0.248 74 G C 0.744 175.660 174.900 0.027 0.000 0.991 74 G CA 0.416 45.533 45.100 0.029 0.000 0.689 74 G HN 0.352 nan 8.290 nan 0.000 0.522 75 L N -1.481 119.762 121.223 0.033 0.000 2.375 75 L HA 0.441 4.770 4.340 -0.018 0.000 0.215 75 L C 0.955 177.840 176.870 0.025 0.000 1.108 75 L CA 0.295 55.149 54.840 0.024 0.000 0.830 75 L CB 0.195 42.264 42.059 0.017 0.000 0.959 75 L HN 0.265 nan 8.230 nan 0.000 0.457 76 L N 0.456 121.700 121.223 0.034 0.000 2.376 76 L HA 0.608 4.937 4.340 -0.018 0.000 0.275 76 L C 0.119 177.007 176.870 0.029 0.000 0.987 76 L CA -0.696 54.165 54.840 0.034 0.000 0.828 76 L CB 1.326 43.412 42.059 0.044 0.000 1.249 76 L HN -0.072 nan 8.230 nan 0.000 0.409 77 A N 6.540 129.374 122.820 0.024 0.000 2.565 77 A HA 0.338 4.647 4.320 -0.018 0.000 0.237 77 A C -1.664 175.931 177.584 0.018 0.000 1.053 77 A CA -0.440 51.609 52.037 0.019 0.000 0.755 77 A CB -0.411 18.598 19.000 0.015 0.000 0.980 77 A HN 0.791 nan 8.150 nan 0.000 0.506 78 P HA -0.194 nan 4.420 nan 0.000 0.216 78 P C 1.360 178.667 177.300 0.012 0.000 1.150 78 P CA 1.605 64.714 63.100 0.015 0.000 0.843 78 P CB 0.214 31.922 31.700 0.013 0.000 0.787 79 E N 0.255 120.459 120.200 0.008 0.000 2.077 79 E HA -0.219 4.121 4.350 -0.018 0.000 0.193 79 E C 1.765 178.366 176.600 0.002 0.000 0.989 79 E CA 1.268 57.670 56.400 0.004 0.000 0.800 79 E CB -0.138 29.562 29.700 0.000 0.000 0.746 79 E HN 0.157 nan 8.360 nan 0.000 0.452 80 K N 0.065 120.466 120.400 0.002 0.000 2.025 80 K HA -0.103 4.206 4.320 -0.018 0.000 0.207 80 K C 2.211 178.818 176.600 0.011 0.000 1.049 80 K CA 1.079 57.366 56.287 0.000 0.000 0.933 80 K CB -0.160 32.341 32.500 0.001 0.000 0.714 80 K HN 0.120 nan 8.250 nan 0.000 0.438 81 A N 1.715 124.547 122.820 0.019 0.000 1.902 81 A HA -0.180 4.130 4.320 -0.018 0.000 0.217 81 A C 1.953 179.552 177.584 0.024 0.000 1.181 81 A CA 1.446 53.500 52.037 0.028 0.000 0.623 81 A CB -0.272 18.748 19.000 0.033 0.000 0.818 81 A HN 0.170 nan 8.150 nan 0.000 0.443 82 E N -0.038 120.173 120.200 0.018 0.000 2.106 82 E HA -0.095 4.245 4.350 -0.018 0.000 0.192 82 E C 2.330 178.940 176.600 0.017 0.000 0.984 82 E CA 1.157 57.567 56.400 0.017 0.000 0.806 82 E CB -0.588 29.120 29.700 0.013 0.000 0.750 82 E HN 0.575 nan 8.360 nan 0.000 0.458 83 A N 1.143 123.970 122.820 0.012 0.000 1.902 83 A HA -0.146 4.163 4.320 -0.018 0.000 0.217 83 A C 2.338 179.931 177.584 0.015 0.000 1.181 83 A CA 1.113 53.156 52.037 0.010 0.000 0.623 83 A CB -0.635 18.364 19.000 -0.001 0.000 0.818 83 A HN 0.167 nan 8.150 nan 0.000 0.443 84 I N -0.378 120.203 120.570 0.019 0.000 2.179 84 I HA -0.263 3.896 4.170 -0.018 0.000 0.242 84 I C 2.301 178.439 176.117 0.036 0.000 1.088 84 I CA 1.359 62.676 61.300 0.028 0.000 1.357 84 I CB -0.317 37.704 38.000 0.035 0.000 1.051 84 I HN 0.298 nan 8.210 nan 0.000 0.409 85 I N 0.678 121.267 120.570 0.033 0.000 2.208 85 I HA -0.335 3.824 4.170 -0.018 0.000 0.245 85 I C 2.756 178.894 176.117 0.035 0.000 1.097 85 I CA 1.526 62.845 61.300 0.032 0.000 1.363 85 I CB -0.491 37.524 38.000 0.026 0.000 1.051 85 I HN 0.211 nan 8.210 nan 0.000 0.413 86 A N 0.589 123.429 122.820 0.032 0.000 1.877 86 A HA -0.155 4.154 4.320 -0.018 0.000 0.216 86 A C 2.553 180.169 177.584 0.054 0.000 1.186 86 A CA 1.833 53.893 52.037 0.038 0.000 0.620 86 A CB -0.930 18.089 19.000 0.032 0.000 0.822 86 A HN 0.428 nan 8.150 nan 0.000 0.443 87 A N -0.018 122.830 122.820 0.047 0.000 1.883 87 A HA 0.096 4.405 4.320 -0.018 0.000 0.217 87 A C 2.539 180.170 177.584 0.078 0.000 1.186 87 A CA 2.388 54.456 52.037 0.052 0.000 0.624 87 A CB -1.153 17.858 19.000 0.019 0.000 0.822 87 A HN 1.131 nan 8.150 nan 0.000 0.444 88 A N -0.238 122.623 122.820 0.069 0.000 1.908 88 A HA 0.122 4.431 4.320 -0.018 0.000 0.218 88 A C 2.510 180.140 177.584 0.077 0.000 1.181 88 A CA 2.244 54.328 52.037 0.077 0.000 0.627 88 A CB -1.044 17.992 19.000 0.060 0.000 0.818 88 A HN 1.136 nan 8.150 nan 0.000 0.445 89 A N -0.199 122.659 122.820 0.065 0.000 1.933 89 A HA -0.190 4.119 4.320 -0.018 0.000 0.218 89 A C 1.906 179.537 177.584 0.079 0.000 1.175 89 A CA 1.677 53.748 52.037 0.057 0.000 0.628 89 A CB -0.544 18.481 19.000 0.042 0.000 0.814 89 A HN 0.657 nan 8.150 nan 0.000 0.444 90 E N -0.314 119.958 120.200 0.121 0.000 2.077 90 E HA -0.176 4.164 4.350 -0.018 0.000 0.193 90 E C 1.891 178.625 176.600 0.223 0.000 0.989 90 E CA 1.336 57.840 56.400 0.173 0.000 0.800 90 E CB -0.327 29.560 29.700 0.311 0.000 0.746 90 E HN 0.718 nan 8.360 nan 0.000 0.452 91 I N 1.151 121.881 120.570 0.266 0.000 2.179 91 I HA -0.260 3.899 4.170 -0.018 0.000 0.242 91 I C 2.555 178.726 176.117 0.089 0.000 1.088 91 I CA 0.989 62.431 61.300 0.236 0.000 1.357 91 I CB -0.319 37.817 38.000 0.226 0.000 1.051 91 I HN 0.073 nan 8.210 nan 0.000 0.409 92 A N -0.083 122.771 122.820 0.057 0.000 2.019 92 A HA -0.273 4.037 4.320 -0.018 0.000 0.219 92 A C 1.876 179.465 177.584 0.008 0.000 1.164 92 A CA 2.120 54.164 52.037 0.013 0.000 0.644 92 A CB -0.565 18.441 19.000 0.011 0.000 0.805 92 A HN 0.426 nan 8.150 nan 0.000 0.449 93 D N -1.674 118.741 120.400 0.025 0.000 2.349 93 D HA 0.252 4.881 4.640 -0.018 0.000 0.224 93 D C 1.186 177.485 176.300 -0.002 0.000 1.029 93 D CA 1.057 55.063 54.000 0.010 0.000 0.879 93 D CB -0.201 40.607 40.800 0.013 0.000 0.906 93 D HN 0.528 nan 8.370 nan 0.000 0.528 94 G N 0.747 109.549 108.800 0.003 0.000 2.147 94 G HA2 -0.345 3.604 3.960 -0.018 0.000 0.244 94 G HA3 -0.345 3.604 3.960 -0.018 0.000 0.244 94 G C 0.880 175.764 174.900 -0.027 0.000 1.005 94 G CA 0.406 45.502 45.100 -0.007 0.000 0.713 94 G HN 0.462 nan 8.290 nan 0.000 0.515 95 Q N -0.674 119.085 119.800 -0.069 0.000 2.451 95 Q HA 0.104 4.434 4.340 -0.018 0.000 0.206 95 Q C 0.773 176.482 176.000 -0.484 0.000 0.947 95 Q CA 0.627 56.262 55.803 -0.280 0.000 0.937 95 Q CB 0.254 28.767 28.738 -0.376 0.000 1.025 95 Q HN 0.781 nan 8.270 nan 0.000 0.511 96 H N -0.824 118.325 119.070 0.131 0.000 2.907 96 H HA 0.111 4.657 4.556 -0.017 0.000 0.233 96 H C -0.310 175.198 175.328 0.299 0.000 1.285 96 H CA -0.192 55.980 56.048 0.207 0.000 0.981 96 H CB 0.659 30.573 29.762 0.254 0.000 2.255 96 H HN 0.143 nan 8.280 nan 0.000 0.601 97 D N 0.909 121.457 120.400 0.247 0.000 2.378 97 D HA -0.091 4.539 4.640 -0.018 0.000 0.227 97 D C 1.333 177.794 176.300 0.268 0.000 1.012 97 D CA 0.744 54.873 54.000 0.214 0.000 0.905 97 D CB 0.154 41.004 40.800 0.084 0.000 0.895 97 D HN 0.571 nan 8.370 nan 0.000 0.532 98 D N -0.765 119.804 120.400 0.282 0.000 2.349 98 D HA -0.053 4.577 4.640 -0.018 0.000 0.214 98 D C 1.039 177.553 176.300 0.358 0.000 1.063 98 D CA 0.154 54.312 54.000 0.264 0.000 0.847 98 D CB -0.001 40.915 40.800 0.194 0.000 0.933 98 D HN -0.001 nan 8.370 nan 0.000 0.513 99 Q N -0.165 119.887 119.800 0.420 0.000 2.204 99 Q HA 0.193 4.523 4.340 -0.018 0.000 0.209 99 Q C -0.594 175.346 176.000 -0.099 0.000 0.861 99 Q CA -0.154 55.843 55.803 0.324 0.000 0.971 99 Q CB 0.162 28.992 28.738 0.153 0.000 1.095 99 Q HN 0.315 nan 8.270 nan 0.000 0.486 100 F N 1.799 121.806 119.950 0.095 0.000 2.531 100 F HA 0.293 4.809 4.527 -0.018 0.000 0.333 100 F C -1.524 174.191 175.800 -0.143 0.000 1.292 100 F CA -1.518 56.462 58.000 -0.033 0.000 1.184 100 F CB 1.499 40.517 39.000 0.029 0.000 1.426 100 F HN -0.068 nan 8.300 nan 0.000 0.559 101 P HA 0.089 nan 4.420 nan 0.000 0.251 101 P C 0.403 177.581 177.300 -0.204 0.000 1.223 101 P CA 0.549 63.459 63.100 -0.317 0.000 0.796 101 P CB 0.662 31.926 31.700 -0.726 0.000 1.068 102 I N 1.531 122.000 120.570 -0.169 0.000 2.618 102 I HA 0.015 4.174 4.170 -0.018 0.000 0.284 102 I C 1.108 177.210 176.117 -0.026 0.000 1.146 102 I CA 0.043 61.300 61.300 -0.072 0.000 1.425 102 I CB 0.002 37.973 38.000 -0.049 0.000 1.383 102 I HN -0.096 nan 8.210 nan 0.000 0.562 103 D N 4.638 125.049 120.400 0.020 0.000 2.478 103 D HA -0.040 4.590 4.640 -0.018 0.000 0.234 103 D C 1.185 177.423 176.300 -0.103 0.000 1.154 103 D CA 0.073 54.083 54.000 0.017 0.000 0.874 103 D CB 1.427 42.297 40.800 0.118 0.000 1.198 103 D HN 0.270 nan 8.370 nan 0.000 0.455 104 V N 3.892 123.720 119.914 -0.143 0.000 2.324 104 V HA -0.265 3.844 4.120 -0.018 0.000 0.250 104 V C 1.099 176.846 176.094 -0.578 0.000 1.060 104 V CA 1.400 63.478 62.300 -0.371 0.000 1.042 104 V CB -0.453 31.070 31.823 -0.499 0.000 0.650 104 V HN 0.433 nan 8.190 nan 0.000 0.450 105 F N 2.027 121.883 119.950 -0.156 0.000 2.605 105 F HA 0.336 4.852 4.527 -0.018 0.000 0.352 105 F C 0.768 176.267 175.800 -0.501 0.000 1.236 105 F CA -0.304 57.565 58.000 -0.219 0.000 1.267 105 F CB -0.556 38.383 39.000 -0.101 0.000 1.632 105 F HN 0.354 nan 8.300 nan 0.000 0.639 106 Q N -1.044 118.352 119.800 -0.673 0.000 2.814 106 Q HA 0.533 4.863 4.340 -0.018 0.000 0.283 106 Q C -0.403 175.039 176.000 -0.931 0.000 1.071 106 Q CA -1.224 53.727 55.803 -1.421 0.000 0.849 106 Q CB 0.695 28.887 28.738 -0.911 0.000 1.437 106 Q HN 0.151 nan 8.270 nan 0.000 0.492 107 T N 0.791 114.879 114.554 -0.776 0.000 2.891 107 T HA 0.016 4.355 4.350 -0.018 0.000 0.296 107 T C 1.183 175.699 174.700 -0.306 0.000 1.025 107 T CA 0.590 62.513 62.100 -0.296 0.000 1.149 107 T CB 0.298 69.101 68.868 -0.108 0.000 1.007 107 T HN 0.777 nan 8.240 nan 0.000 0.528 108 G N 1.494 110.155 108.800 -0.231 0.000 2.679 108 G HA2 -0.110 3.839 3.960 -0.018 0.000 0.212 108 G HA3 -0.110 3.839 3.960 -0.018 0.000 0.212 108 G C 1.583 176.392 174.900 -0.151 0.000 1.137 108 G CA 0.420 45.386 45.100 -0.224 0.000 0.787 108 G HN 0.778 nan 8.290 nan 0.000 0.534 109 S N -0.687 114.934 115.700 -0.131 0.000 2.496 109 S HA 0.302 4.762 4.470 -0.018 0.000 0.224 109 S C 1.947 176.439 174.600 -0.180 0.000 0.996 109 S CA 0.940 59.100 58.200 -0.067 0.000 0.927 109 S CB -0.123 63.062 63.200 -0.025 0.000 0.774 109 S HN 1.380 nan 8.310 nan 0.000 0.524 110 G N 0.841 109.377 108.800 -0.440 0.000 2.153 110 G HA2 -0.336 3.614 3.960 -0.018 0.000 0.252 110 G HA3 -0.336 3.614 3.960 -0.018 0.000 0.252 110 G C 0.695 175.345 174.900 -0.416 0.000 0.994 110 G CA 0.808 45.367 45.100 -0.903 0.000 0.698 110 G HN 0.596 nan 8.290 nan 0.000 0.521 111 T N -0.093 114.352 114.554 -0.183 0.000 2.833 111 T HA -0.072 4.268 4.350 -0.018 0.000 0.269 111 T C 2.637 177.316 174.700 -0.034 0.000 1.054 111 T CA 2.545 64.615 62.100 -0.050 0.000 1.135 111 T CB -0.261 68.600 68.868 -0.011 0.000 0.869 111 T HN 0.495 nan 8.240 nan 0.000 0.466 112 S N 0.822 116.479 115.700 -0.071 0.000 2.368 112 S HA -0.068 4.392 4.470 -0.018 0.000 0.225 112 S C 2.420 177.019 174.600 -0.001 0.000 1.030 112 S CA 1.402 59.595 58.200 -0.011 0.000 0.999 112 S CB -0.439 62.777 63.200 0.026 0.000 0.844 112 S HN 0.514 nan 8.310 nan 0.000 0.459 113 S N 1.663 117.339 115.700 -0.040 0.000 2.406 113 S HA -0.059 4.401 4.470 -0.018 0.000 0.228 113 S C 1.797 176.522 174.600 0.208 0.000 1.020 113 S CA 0.880 59.144 58.200 0.106 0.000 0.965 113 S CB -0.455 62.826 63.200 0.135 0.000 0.798 113 S HN 0.551 nan 8.310 nan 0.000 0.488 114 N N 1.719 120.522 118.700 0.171 0.000 2.069 114 N HA -0.036 4.693 4.740 -0.018 0.000 0.191 114 N C 1.652 177.246 175.510 0.140 0.000 1.031 114 N CA 1.633 54.794 53.050 0.185 0.000 0.852 114 N CB -0.270 38.309 38.487 0.154 0.000 1.018 114 N HN 0.349 nan 8.380 nan 0.000 0.423 115 M N -0.241 119.416 119.600 0.095 0.000 2.229 115 M HA -0.105 4.364 4.480 -0.018 0.000 0.264 115 M C 2.046 178.388 176.300 0.070 0.000 1.063 115 M CA 1.147 56.492 55.300 0.075 0.000 1.114 115 M CB -0.447 32.186 32.600 0.055 0.000 1.387 115 M HN 0.340 nan 8.290 nan 0.000 0.420 116 N N -0.297 118.442 118.700 0.065 0.000 2.069 116 N HA -0.166 4.563 4.740 -0.018 0.000 0.191 116 N C 1.325 176.833 175.510 -0.004 0.000 1.031 116 N CA 1.890 54.937 53.050 -0.006 0.000 0.852 116 N CB 0.148 38.626 38.487 -0.015 0.000 1.018 116 N HN 0.255 nan 8.380 nan 0.000 0.423 117 T N 0.850 115.529 114.554 0.209 0.000 2.708 117 T HA -0.086 4.253 4.350 -0.018 0.000 0.266 117 T C 1.505 176.293 174.700 0.146 0.000 1.037 117 T CA 1.109 63.389 62.100 0.300 0.000 1.146 117 T CB -0.396 68.682 68.868 0.350 0.000 0.865 117 T HN 0.314 nan 8.240 nan 0.000 0.435 118 N N 1.231 120.000 118.700 0.114 0.000 2.120 118 N HA -0.078 4.652 4.740 -0.018 0.000 0.188 118 N C 1.926 177.469 175.510 0.055 0.000 1.024 118 N CA 1.089 54.189 53.050 0.083 0.000 0.852 118 N CB -0.287 38.248 38.487 0.079 0.000 1.003 118 N HN 0.584 nan 8.380 nan 0.000 0.424 119 E N 0.280 120.508 120.200 0.045 0.000 2.072 119 E HA -0.067 4.272 4.350 -0.018 0.000 0.191 119 E C 1.973 178.571 176.600 -0.004 0.000 0.985 119 E CA 0.716 57.135 56.400 0.031 0.000 0.801 119 E CB 0.052 29.786 29.700 0.057 0.000 0.750 119 E HN 0.055 nan 8.360 nan 0.000 0.452 120 V N 1.508 121.401 119.914 -0.036 0.000 2.358 120 V HA -0.242 3.867 4.120 -0.018 0.000 0.246 120 V C 2.235 178.284 176.094 -0.074 0.000 1.047 120 V CA 1.395 63.640 62.300 -0.092 0.000 1.035 120 V CB -0.335 31.368 31.823 -0.200 0.000 0.658 120 V HN 0.263 nan 8.190 nan 0.000 0.452 121 I N 0.380 120.942 120.570 -0.013 0.000 2.226 121 I HA -0.264 3.895 4.170 -0.018 0.000 0.245 121 I C 2.651 178.758 176.117 -0.017 0.000 1.100 121 I CA 1.565 62.863 61.300 -0.003 0.000 1.374 121 I CB -0.536 37.489 38.000 0.041 0.000 1.057 121 I HN 0.304 nan 8.210 nan 0.000 0.413 122 A N -0.098 122.717 122.820 -0.009 0.000 1.933 122 A HA -0.195 4.115 4.320 -0.018 0.000 0.218 122 A C 2.467 180.029 177.584 -0.038 0.000 1.175 122 A CA 2.163 54.188 52.037 -0.019 0.000 0.628 122 A CB -0.677 18.321 19.000 -0.004 0.000 0.814 122 A HN 0.393 nan 8.150 nan 0.000 0.444 123 S N -0.205 115.465 115.700 -0.049 0.000 2.368 123 S HA -0.093 4.366 4.470 -0.018 0.000 0.225 123 S C 1.786 176.345 174.600 -0.067 0.000 1.030 123 S CA 1.440 59.600 58.200 -0.066 0.000 0.999 123 S CB -0.464 62.682 63.200 -0.090 0.000 0.844 123 S HN 0.555 nan 8.310 nan 0.000 0.459 124 I N 1.707 122.229 120.570 -0.080 0.000 2.202 124 I HA -0.193 3.967 4.170 -0.018 0.000 0.242 124 I C 2.721 178.818 176.117 -0.033 0.000 1.091 124 I CA 1.064 62.324 61.300 -0.067 0.000 1.368 124 I CB -0.540 37.401 38.000 -0.099 0.000 1.058 124 I HN 0.253 nan 8.210 nan 0.000 0.410 125 A N 1.070 123.873 122.820 -0.030 0.000 1.883 125 A HA -0.173 4.137 4.320 -0.018 0.000 0.217 125 A C 2.455 180.021 177.584 -0.029 0.000 1.186 125 A CA 2.103 54.127 52.037 -0.023 0.000 0.624 125 A CB -1.564 17.422 19.000 -0.024 0.000 0.822 125 A HN 0.468 nan 8.150 nan 0.000 0.444 126 G N -0.655 108.122 108.800 -0.038 0.000 2.418 126 G HA2 -0.006 3.943 3.960 -0.018 0.000 0.217 126 G HA3 -0.006 3.943 3.960 -0.018 0.000 0.217 126 G C 1.710 176.591 174.900 -0.031 0.000 1.158 126 G CA 1.450 46.526 45.100 -0.039 0.000 0.771 126 G HN 0.871 nan 8.290 nan 0.000 0.545 127 A N 0.746 123.549 122.820 -0.029 0.000 2.019 127 A HA -0.023 4.286 4.320 -0.018 0.000 0.219 127 A C 1.895 179.473 177.584 -0.011 0.000 1.164 127 A CA 1.200 53.225 52.037 -0.020 0.000 0.644 127 A CB -0.217 18.773 19.000 -0.017 0.000 0.805 127 A HN 0.371 nan 8.150 nan 0.000 0.449 128 N N -0.505 118.190 118.700 -0.009 0.000 2.327 128 N HA 0.206 4.935 4.740 -0.018 0.000 0.231 128 N C 0.845 176.350 175.510 -0.009 0.000 1.130 128 N CA 0.765 53.813 53.050 -0.004 0.000 0.845 128 N CB 0.432 38.921 38.487 0.003 0.000 1.073 128 N HN 0.586 nan 8.380 nan 0.000 0.496 129 G N 0.184 108.975 108.800 -0.015 0.000 2.143 129 G HA2 -0.250 3.699 3.960 -0.018 0.000 0.248 129 G HA3 -0.250 3.699 3.960 -0.018 0.000 0.248 129 G C -0.193 174.694 174.900 -0.021 0.000 0.991 129 G CA 0.103 45.193 45.100 -0.017 0.000 0.689 129 G HN 0.205 nan 8.290 nan 0.000 0.522 130 V N 0.252 120.150 119.914 -0.027 0.000 2.483 130 V HA 0.779 4.888 4.120 -0.018 0.000 0.297 130 V C 0.551 176.612 176.094 -0.055 0.000 1.027 130 V CA -0.611 61.668 62.300 -0.035 0.000 0.855 130 V CB 1.633 33.441 31.823 -0.025 0.000 0.995 130 V HN 1.167 nan 8.190 nan 0.000 0.424 131 A N 5.094 127.869 122.820 -0.075 0.000 2.396 131 A HA 0.687 4.997 4.320 -0.018 0.000 0.279 131 A C -0.077 177.400 177.584 -0.178 0.000 1.165 131 A CA -0.148 51.813 52.037 -0.128 0.000 0.824 131 A CB 0.354 19.271 19.000 -0.139 0.000 1.100 131 A HN 1.520 nan 8.150 nan 0.000 0.516 132 V N 1.311 121.112 119.914 -0.189 0.000 2.876 132 V HA 0.585 4.694 4.120 -0.018 0.000 0.312 132 V C -0.621 175.339 176.094 -0.222 0.000 1.085 132 V CA -1.023 61.158 62.300 -0.198 0.000 0.945 132 V CB 1.706 33.488 31.823 -0.068 0.000 1.017 132 V HN 0.793 nan 8.190 nan 0.000 0.428 133 H N 3.733 122.808 119.070 0.008 0.000 2.562 133 H HA 0.376 4.922 4.556 -0.017 0.000 0.314 133 H C -2.036 173.299 175.328 0.013 0.000 1.079 133 H CA -1.761 54.292 56.048 0.008 0.000 1.349 133 H CB 1.966 31.732 29.762 0.006 0.000 1.432 133 H HN 0.508 nan 8.280 nan 0.000 0.479 134 P HA -0.189 nan 4.420 nan 0.000 0.215 134 P C 1.501 178.850 177.300 0.082 0.000 1.157 134 P CA 1.323 64.474 63.100 0.085 0.000 0.874 134 P CB 0.546 32.289 31.700 0.071 0.000 0.790 135 N N -0.873 117.874 118.700 0.079 0.000 2.132 135 N HA -0.115 4.614 4.740 -0.018 0.000 0.187 135 N C 1.195 176.734 175.510 0.048 0.000 1.038 135 N CA 1.216 54.297 53.050 0.051 0.000 0.846 135 N CB -0.296 38.206 38.487 0.025 0.000 1.012 135 N HN -0.093 nan 8.380 nan 0.000 0.429 136 D N 0.566 121.000 120.400 0.058 0.000 2.178 136 D HA -0.085 4.544 4.640 -0.018 0.000 0.202 136 D C 0.913 177.253 176.300 0.066 0.000 0.974 136 D CA 1.043 55.069 54.000 0.043 0.000 0.841 136 D CB -0.065 40.747 40.800 0.020 0.000 0.953 136 D HN 0.371 nan 8.370 nan 0.000 0.478 137 D N -0.769 119.691 120.400 0.100 0.000 2.840 137 D HA 0.026 4.655 4.640 -0.018 0.000 0.277 137 D C 2.284 178.622 176.300 0.062 0.000 1.066 137 D CA 0.238 54.284 54.000 0.077 0.000 0.979 137 D CB -0.071 40.773 40.800 0.074 0.000 1.157 137 D HN -0.019 nan 8.370 nan 0.000 0.466 138 V N 1.275 121.229 119.914 0.067 0.000 2.548 138 V HA -0.120 3.989 4.120 -0.018 0.000 0.249 138 V C 1.527 177.664 176.094 0.073 0.000 1.055 138 V CA 1.302 63.643 62.300 0.067 0.000 1.065 138 V CB -0.502 31.360 31.823 0.066 0.000 0.681 138 V HN 0.069 nan 8.190 nan 0.000 0.462 139 N N -0.430 118.307 118.700 0.062 0.000 2.268 139 N HA 0.163 4.892 4.740 -0.018 0.000 0.204 139 N C 0.537 176.058 175.510 0.017 0.000 1.124 139 N CA -0.100 52.981 53.050 0.052 0.000 0.838 139 N CB -0.082 38.434 38.487 0.048 0.000 0.994 139 N HN 0.457 nan 8.380 nan 0.000 0.489 140 M N 0.381 119.987 119.600 0.010 0.000 2.260 140 M HA -0.059 4.410 4.480 -0.018 0.000 0.348 140 M C 0.123 176.330 176.300 -0.154 0.000 1.342 140 M CA 0.851 56.123 55.300 -0.046 0.000 1.040 140 M CB 0.187 32.775 32.600 -0.021 0.000 1.810 140 M HN 0.266 nan 8.290 nan 0.000 0.453 141 S N 0.982 116.530 115.700 -0.253 0.000 2.857 141 S HA -0.196 4.263 4.470 -0.018 0.000 0.268 141 S C -0.326 174.027 174.600 -0.412 0.000 1.297 141 S CA 1.392 59.275 58.200 -0.528 0.000 1.280 141 S CB -1.351 61.103 63.200 -1.243 0.000 1.562 141 S HN 0.923 nan 8.310 nan 0.000 0.661 142 Q N 0.247 119.953 119.800 -0.157 0.000 2.378 142 Q HA 0.764 5.093 4.340 -0.018 0.000 0.276 142 Q C -0.045 175.951 176.000 -0.007 0.000 1.083 142 Q CA -0.223 55.567 55.803 -0.020 0.000 0.856 142 Q CB 2.028 30.805 28.738 0.065 0.000 1.383 142 Q HN 0.380 nan 8.270 nan 0.000 0.458 143 S N -1.265 114.451 115.700 0.028 0.000 2.745 143 S HA 0.329 4.788 4.470 -0.018 0.000 0.306 143 S C 0.491 175.121 174.600 0.050 0.000 1.137 143 S CA -0.096 58.121 58.200 0.027 0.000 0.900 143 S CB 1.203 64.415 63.200 0.021 0.000 1.176 143 S HN 0.666 nan 8.310 nan 0.000 0.520 144 S N 0.487 116.215 115.700 0.045 0.000 2.603 144 S HA 0.075 4.535 4.470 -0.018 0.000 0.229 144 S C 0.531 175.171 174.600 0.067 0.000 0.972 144 S CA 0.422 58.654 58.200 0.054 0.000 0.935 144 S CB -0.720 62.503 63.200 0.038 0.000 0.769 144 S HN 0.673 nan 8.310 nan 0.000 0.536 145 N N 1.310 120.051 118.700 0.068 0.000 2.193 145 N HA 0.083 4.812 4.740 -0.018 0.000 0.210 145 N C 0.349 175.907 175.510 0.081 0.000 1.215 145 N CA 0.878 53.973 53.050 0.075 0.000 0.901 145 N CB 0.373 38.896 38.487 0.060 0.000 1.060 145 N HN 0.684 nan 8.380 nan 0.000 0.508 146 D N -0.391 120.053 120.400 0.073 0.000 2.407 146 D HA 0.021 4.651 4.640 -0.018 0.000 0.208 146 D C 1.372 177.717 176.300 0.076 0.000 1.083 146 D CA 0.508 54.543 54.000 0.060 0.000 0.844 146 D CB -0.300 40.523 40.800 0.040 0.000 0.967 146 D HN 0.117 nan 8.370 nan 0.000 0.506 147 T N -1.746 112.872 114.554 0.106 0.000 2.781 147 T HA 0.005 4.344 4.350 -0.018 0.000 0.252 147 T C 1.850 176.620 174.700 0.116 0.000 1.039 147 T CA 0.248 62.415 62.100 0.111 0.000 1.147 147 T CB -1.010 67.936 68.868 0.130 0.000 0.865 147 T HN 0.035 nan 8.240 nan 0.000 0.423 148 F N 4.240 124.213 119.950 0.040 0.000 2.134 148 F HA 0.077 4.592 4.527 -0.019 0.000 0.299 148 F C -0.765 175.066 175.800 0.051 0.000 1.097 148 F CA 0.759 58.780 58.000 0.035 0.000 1.264 148 F CB -0.775 38.238 39.000 0.022 0.000 1.001 148 F HN 0.142 nan 8.300 nan 0.000 0.479 149 P HA -0.113 nan 4.420 nan 0.000 0.218 149 P C 1.532 178.871 177.300 0.064 0.000 1.149 149 P CA 1.846 65.016 63.100 0.117 0.000 0.817 149 P CB -0.341 31.440 31.700 0.135 0.000 0.785 150 T N 0.573 115.130 114.554 0.004 0.000 2.652 150 T HA -0.128 4.211 4.350 -0.018 0.000 0.267 150 T C 2.087 176.758 174.700 -0.048 0.000 1.039 150 T CA 1.958 64.048 62.100 -0.017 0.000 1.153 150 T CB -0.932 67.925 68.868 -0.017 0.000 0.863 150 T HN 0.086 nan 8.240 nan 0.000 0.428 151 A N 1.208 123.949 122.820 -0.132 0.000 1.933 151 A HA -0.132 4.178 4.320 -0.018 0.000 0.218 151 A C 2.548 179.978 177.584 -0.256 0.000 1.175 151 A CA 2.084 53.999 52.037 -0.204 0.000 0.628 151 A CB -1.232 17.600 19.000 -0.280 0.000 0.814 151 A HN 0.492 nan 8.150 nan 0.000 0.444 152 T N -0.932 113.427 114.554 -0.325 0.000 2.708 152 T HA -0.134 4.205 4.350 -0.018 0.000 0.266 152 T C 1.791 176.394 174.700 -0.163 0.000 1.037 152 T CA 1.487 63.422 62.100 -0.275 0.000 1.146 152 T CB -0.464 68.263 68.868 -0.236 0.000 0.865 152 T HN 0.645 nan 8.240 nan 0.000 0.435 153 H N 0.217 119.217 119.070 -0.116 0.000 2.428 153 H HA 0.127 4.673 4.556 -0.017 0.000 0.296 153 H C 2.347 177.622 175.328 -0.088 0.000 1.062 153 H CA 0.886 56.891 56.048 -0.072 0.000 1.350 153 H CB -0.102 29.632 29.762 -0.046 0.000 1.403 153 H HN 0.326 nan 8.280 nan 0.000 0.533 154 I N 0.834 121.403 120.570 -0.002 0.000 2.127 154 I HA -0.269 3.890 4.170 -0.018 0.000 0.241 154 I C 2.876 178.935 176.117 -0.096 0.000 1.075 154 I CA 1.146 62.415 61.300 -0.052 0.000 1.334 154 I CB -0.288 37.674 38.000 -0.064 0.000 1.040 154 I HN 0.163 nan 8.210 nan 0.000 0.405 155 A N 0.565 123.308 122.820 -0.127 0.000 1.902 155 A HA -0.140 4.169 4.320 -0.018 0.000 0.217 155 A C 2.512 179.977 177.584 -0.198 0.000 1.181 155 A CA 1.861 53.807 52.037 -0.151 0.000 0.623 155 A CB -0.836 18.068 19.000 -0.160 0.000 0.818 155 A HN 0.449 nan 8.150 nan 0.000 0.443 156 A N -1.111 121.587 122.820 -0.203 0.000 1.898 156 A HA -0.039 4.270 4.320 -0.018 0.000 0.216 156 A C 2.295 179.643 177.584 -0.394 0.000 1.181 156 A CA 2.175 54.038 52.037 -0.290 0.000 0.620 156 A CB -1.151 17.767 19.000 -0.136 0.000 0.819 156 A HN 0.420 nan 8.150 nan 0.000 0.442 157 T N -0.528 113.902 114.554 -0.207 0.000 2.737 157 T HA -0.142 4.198 4.350 -0.018 0.000 0.265 157 T C 1.859 176.449 174.700 -0.183 0.000 1.038 157 T CA 1.553 63.559 62.100 -0.156 0.000 1.144 157 T CB -0.211 68.619 68.868 -0.064 0.000 0.866 157 T HN 0.691 nan 8.240 nan 0.000 0.434 158 E N 0.869 120.975 120.200 -0.155 0.000 2.058 158 E HA -0.154 4.186 4.350 -0.018 0.000 0.194 158 E C 2.390 178.933 176.600 -0.096 0.000 0.997 158 E CA 1.114 57.453 56.400 -0.102 0.000 0.801 158 E CB -0.240 29.428 29.700 -0.054 0.000 0.746 158 E HN 0.464 nan 8.360 nan 0.000 0.450 159 A N 1.010 123.684 122.820 -0.244 0.000 1.908 159 A HA -0.158 4.152 4.320 -0.018 0.000 0.218 159 A C 2.379 179.700 177.584 -0.439 0.000 1.181 159 A CA 2.000 53.836 52.037 -0.334 0.000 0.627 159 A CB -0.859 17.745 19.000 -0.659 0.000 0.818 159 A HN 0.426 nan 8.150 nan 0.000 0.445 160 A N -0.845 121.571 122.820 -0.673 0.000 1.873 160 A HA 0.041 4.350 4.320 -0.018 0.000 0.215 160 A C 2.245 179.772 177.584 -0.095 0.000 1.186 160 A CA 1.872 53.722 52.037 -0.311 0.000 0.616 160 A CB -0.816 18.082 19.000 -0.170 0.000 0.823 160 A HN 0.393 nan 8.150 nan 0.000 0.442 161 V N -0.588 119.256 119.914 -0.117 0.000 2.379 161 V HA -0.092 4.018 4.120 -0.018 0.000 0.243 161 V C 2.463 178.490 176.094 -0.110 0.000 1.035 161 V CA 2.157 64.408 62.300 -0.081 0.000 1.035 161 V CB -0.270 31.506 31.823 -0.077 0.000 0.673 161 V HN 0.518 nan 8.190 nan 0.000 0.457 162 S N -1.899 113.698 115.700 -0.173 0.000 2.503 162 S HA 0.101 4.560 4.470 -0.018 0.000 0.215 162 S C 1.476 175.742 174.600 -0.556 0.000 1.003 162 S CA 0.167 58.160 58.200 -0.346 0.000 0.910 162 S CB 0.018 62.965 63.200 -0.421 0.000 0.790 162 S HN 0.648 nan 8.310 nan 0.000 0.514 163 H N -0.470 118.566 119.070 -0.057 0.000 2.179 163 H HA 0.305 4.850 4.556 -0.018 0.000 0.246 163 H C 1.813 177.148 175.328 0.011 0.000 0.904 163 H CA 0.156 56.187 56.048 -0.027 0.000 1.113 163 H CB -0.670 29.068 29.762 -0.041 0.000 1.396 163 H HN 0.178 nan 8.280 nan 0.000 0.484 164 L N 1.564 122.877 121.223 0.150 0.000 2.023 164 L HA -0.001 4.328 4.340 -0.018 0.000 0.205 164 L C 2.244 179.178 176.870 0.108 0.000 1.073 164 L CA 1.318 56.259 54.840 0.168 0.000 0.745 164 L CB -0.853 41.390 42.059 0.306 0.000 0.900 164 L HN 0.124 nan 8.230 nan 0.000 0.435 165 I N -0.054 120.561 120.570 0.075 0.000 2.163 165 I HA -0.236 3.924 4.170 -0.018 0.000 0.243 165 I C -0.379 175.756 176.117 0.030 0.000 1.085 165 I CA 1.419 62.748 61.300 0.050 0.000 1.347 165 I CB -1.454 36.565 38.000 0.031 0.000 1.044 165 I HN 0.270 nan 8.210 nan 0.000 0.408 166 P HA -0.181 nan 4.420 nan 0.000 0.216 166 P C 1.435 178.750 177.300 0.024 0.000 1.150 166 P CA 1.836 64.937 63.100 0.002 0.000 0.837 166 P CB -0.030 31.653 31.700 -0.030 0.000 0.786 167 A N -0.667 122.181 122.820 0.046 0.000 1.898 167 A HA -0.142 4.168 4.320 -0.018 0.000 0.216 167 A C 2.184 179.805 177.584 0.061 0.000 1.181 167 A CA 1.332 53.404 52.037 0.059 0.000 0.620 167 A CB -1.622 17.426 19.000 0.081 0.000 0.819 167 A HN 0.111 nan 8.150 nan 0.000 0.442 168 L N -0.702 120.560 121.223 0.064 0.000 2.131 168 L HA -0.198 4.131 4.340 -0.018 0.000 0.210 168 L C 2.525 179.424 176.870 0.048 0.000 1.092 168 L CA 1.490 56.367 54.840 0.063 0.000 0.759 168 L CB -0.600 41.498 42.059 0.065 0.000 0.903 168 L HN 0.471 nan 8.230 nan 0.000 0.435 169 E N 0.404 120.626 120.200 0.036 0.000 2.077 169 E HA -0.217 4.123 4.350 -0.018 0.000 0.193 169 E C 2.296 178.907 176.600 0.019 0.000 0.989 169 E CA 1.170 57.584 56.400 0.024 0.000 0.800 169 E CB -0.101 29.607 29.700 0.014 0.000 0.746 169 E HN 0.469 nan 8.360 nan 0.000 0.452 170 I N 0.727 121.310 120.570 0.020 0.000 2.208 170 I HA -0.271 3.889 4.170 -0.018 0.000 0.245 170 I C 2.449 178.573 176.117 0.013 0.000 1.097 170 I CA 0.661 61.969 61.300 0.014 0.000 1.363 170 I CB -0.141 37.870 38.000 0.018 0.000 1.051 170 I HN 0.158 nan 8.210 nan 0.000 0.413 171 L N 0.520 121.761 121.223 0.031 0.000 2.056 171 L HA -0.227 4.103 4.340 -0.018 0.000 0.207 171 L C 2.520 179.408 176.870 0.030 0.000 1.078 171 L CA 1.775 56.634 54.840 0.032 0.000 0.749 171 L CB -0.834 41.271 42.059 0.078 0.000 0.901 171 L HN 0.242 nan 8.230 nan 0.000 0.433 172 Q N -0.675 119.149 119.800 0.040 0.000 2.061 172 Q HA -0.311 4.019 4.340 -0.018 0.000 0.204 172 Q C 1.940 177.956 176.000 0.026 0.000 0.984 172 Q CA 2.355 58.182 55.803 0.042 0.000 0.846 172 Q CB -0.223 28.538 28.738 0.037 0.000 0.902 172 Q HN 0.718 nan 8.270 nan 0.000 0.421 173 D N -0.539 119.867 120.400 0.009 0.000 2.104 173 D HA -0.168 4.461 4.640 -0.018 0.000 0.194 173 D C 1.758 178.043 176.300 -0.025 0.000 0.994 173 D CA 1.775 55.770 54.000 -0.008 0.000 0.830 173 D CB -0.186 40.606 40.800 -0.013 0.000 0.959 173 D HN 0.382 nan 8.370 nan 0.000 0.452 174 A N 0.016 122.818 122.820 -0.030 0.000 1.908 174 A HA -0.109 4.200 4.320 -0.018 0.000 0.218 174 A C 2.416 179.973 177.584 -0.045 0.000 1.181 174 A CA 1.331 53.331 52.037 -0.062 0.000 0.627 174 A CB -0.891 18.062 19.000 -0.078 0.000 0.818 174 A HN 0.388 nan 8.150 nan 0.000 0.445 175 L N -0.953 120.291 121.223 0.034 0.000 2.056 175 L HA -0.133 4.196 4.340 -0.018 0.000 0.207 175 L C 3.057 179.998 176.870 0.118 0.000 1.078 175 L CA 0.981 55.923 54.840 0.169 0.000 0.749 175 L CB -0.516 41.666 42.059 0.204 0.000 0.901 175 L HN 0.415 nan 8.230 nan 0.000 0.433 176 A N -0.544 122.304 122.820 0.047 0.000 1.969 176 A HA -0.171 4.139 4.320 -0.018 0.000 0.218 176 A C 2.363 179.924 177.584 -0.039 0.000 1.169 176 A CA 2.150 54.197 52.037 0.017 0.000 0.635 176 A CB -0.803 18.202 19.000 0.008 0.000 0.810 176 A HN 0.365 nan 8.150 nan 0.000 0.445 177 T N 0.032 114.538 114.554 -0.080 0.000 2.746 177 T HA -0.104 4.235 4.350 -0.018 0.000 0.267 177 T C 1.979 176.524 174.700 -0.260 0.000 1.039 177 T CA 1.463 63.476 62.100 -0.145 0.000 1.142 177 T CB -0.126 68.654 68.868 -0.146 0.000 0.866 177 T HN 0.336 nan 8.240 nan 0.000 0.444 178 K N 1.441 121.630 120.400 -0.351 0.000 2.097 178 K HA 0.104 4.414 4.320 -0.018 0.000 0.206 178 K C 2.601 178.964 176.600 -0.395 0.000 1.049 178 K CA 1.151 57.022 56.287 -0.694 0.000 0.933 178 K CB -0.757 31.099 32.500 -1.073 0.000 0.717 178 K HN 0.354 nan 8.250 nan 0.000 0.442 179 A N 1.417 124.183 122.820 -0.090 0.000 1.948 179 A HA -0.165 4.145 4.320 -0.018 0.000 0.220 179 A C 2.322 179.906 177.584 -0.001 0.000 1.177 179 A CA 1.423 53.483 52.037 0.038 0.000 0.636 179 A CB -0.588 18.452 19.000 0.067 0.000 0.815 179 A HN 0.192 nan 8.150 nan 0.000 0.449 180 L N -1.249 119.940 121.223 -0.056 0.000 2.068 180 L HA -0.117 4.212 4.340 -0.018 0.000 0.204 180 L C 2.596 179.434 176.870 -0.053 0.000 1.076 180 L CA 1.323 56.137 54.840 -0.043 0.000 0.753 180 L CB -0.531 41.496 42.059 -0.053 0.000 0.910 180 L HN 0.429 nan 8.230 nan 0.000 0.439 181 E N -0.638 119.469 120.200 -0.155 0.000 2.118 181 E HA -0.227 4.112 4.350 -0.018 0.000 0.195 181 E C 0.948 177.576 176.600 0.046 0.000 0.992 181 E CA 1.140 57.441 56.400 -0.166 0.000 0.804 181 E CB -0.014 29.430 29.700 -0.427 0.000 0.741 181 E HN 0.470 nan 8.360 nan 0.000 0.458 182 W N 1.707 122.957 121.300 -0.085 0.000 3.015 182 W HA 0.138 4.788 4.660 -0.018 0.000 0.429 182 W C 1.307 177.805 176.519 -0.036 0.000 0.976 182 W CA -0.367 56.934 57.345 -0.073 0.000 2.086 182 W CB -0.341 29.044 29.460 -0.125 0.000 1.125 182 W HN 0.194 nan 8.180 nan 0.000 0.721 183 Q N -0.055 119.839 119.800 0.156 0.000 2.364 183 Q HA -0.122 4.208 4.340 -0.018 0.000 0.207 183 Q C 1.329 177.374 176.000 0.075 0.000 0.970 183 Q CA 1.955 57.815 55.803 0.095 0.000 0.888 183 Q CB -0.348 28.422 28.738 0.054 0.000 0.951 183 Q HN 0.113 nan 8.270 nan 0.000 0.469 184 S N -0.693 115.054 115.700 0.079 0.000 2.578 184 S HA 0.249 4.708 4.470 -0.018 0.000 0.231 184 S C 0.312 174.930 174.600 0.029 0.000 0.994 184 S CA -0.590 57.638 58.200 0.046 0.000 0.956 184 S CB 0.739 63.961 63.200 0.038 0.000 0.870 184 S HN 0.123 nan 8.310 nan 0.000 0.494 185 V N 2.921 122.856 119.914 0.035 0.000 2.223 185 V HA 0.299 4.408 4.120 -0.018 0.000 0.249 185 V C 0.513 176.583 176.094 -0.040 0.000 1.233 185 V CA -0.488 61.788 62.300 -0.039 0.000 1.131 185 V CB 0.172 31.900 31.823 -0.160 0.000 1.298 185 V HN 0.462 nan 8.190 nan 0.000 0.498 186 V N 6.393 126.290 119.914 -0.029 0.000 2.811 186 V HA 0.471 4.580 4.120 -0.018 0.000 0.302 186 V C 0.261 176.329 176.094 -0.043 0.000 1.063 186 V CA 0.178 62.464 62.300 -0.024 0.000 1.088 186 V CB 1.160 32.973 31.823 -0.017 0.000 0.982 186 V HN 1.029 nan 8.190 nan 0.000 0.485 187 K N 3.144 123.524 120.400 -0.032 0.000 2.556 187 K HA 0.549 4.858 4.320 -0.018 0.000 0.289 187 K C -1.072 175.512 176.600 -0.026 0.000 1.040 187 K CA -0.829 55.434 56.287 -0.040 0.000 0.894 187 K CB 1.389 33.866 32.500 -0.039 0.000 1.547 187 K HN 0.359 nan 8.250 nan 0.000 0.417 188 S N 0.284 115.966 115.700 -0.030 0.000 2.545 188 S HA 0.381 4.840 4.470 -0.018 0.000 0.275 188 S C 0.260 174.855 174.600 -0.008 0.000 1.299 188 S CA -0.314 57.874 58.200 -0.020 0.000 1.048 188 S CB 0.974 64.159 63.200 -0.026 0.000 0.938 188 S HN 0.662 nan 8.310 nan 0.000 0.496 189 G N 2.069 110.866 108.800 -0.004 0.000 2.636 189 G HA2 0.398 4.347 3.960 -0.018 0.000 0.246 189 G HA3 0.398 4.347 3.960 -0.018 0.000 0.246 189 G C -0.498 174.401 174.900 -0.003 0.000 1.216 189 G CA -0.538 44.562 45.100 -0.001 0.000 0.854 189 G HN 0.643 nan 8.290 nan 0.000 0.572 190 R N -0.299 120.198 120.500 -0.005 0.000 2.538 190 R HA 0.501 4.831 4.340 -0.018 0.000 0.292 190 R C -0.831 175.458 176.300 -0.019 0.000 1.008 190 R CA -0.607 55.486 56.100 -0.012 0.000 0.896 190 R CB 2.166 32.450 30.300 -0.027 0.000 1.187 190 R HN 0.723 nan 8.270 nan 0.000 0.440 191 T N -1.022 113.531 114.554 -0.000 0.000 2.881 191 T HA 0.281 4.621 4.350 -0.018 0.000 0.290 191 T C 0.287 175.023 174.700 0.060 0.000 1.000 191 T CA -0.744 61.340 62.100 -0.027 0.000 0.978 191 T CB 1.012 69.881 68.868 0.002 0.000 0.997 191 T HN 0.846 nan 8.240 nan 0.000 0.443 192 H N 2.163 121.210 119.070 -0.038 0.000 2.958 192 H HA -0.162 4.383 4.556 -0.018 0.000 0.274 192 H C 0.926 176.214 175.328 -0.066 0.000 1.184 192 H CA 0.858 56.879 56.048 -0.045 0.000 1.143 192 H CB -1.587 28.154 29.762 -0.035 0.000 1.297 192 H HN 0.889 nan 8.280 nan 0.000 0.356 193 L N -3.894 117.326 121.223 -0.005 0.000 4.937 193 L HA -0.257 4.072 4.340 -0.018 0.000 0.422 193 L C 0.202 177.049 176.870 -0.040 0.000 1.059 193 L CA 0.968 55.767 54.840 -0.069 0.000 1.111 193 L CB -1.092 40.893 42.059 -0.123 0.000 2.033 193 L HN 0.104 nan 8.230 nan 0.000 0.708 194 M N -0.112 119.495 119.600 0.012 0.000 2.537 194 M HA 0.425 4.895 4.480 -0.018 0.000 0.324 194 M C 0.293 176.596 176.300 0.006 0.000 1.187 194 M CA -0.610 54.694 55.300 0.006 0.000 0.993 194 M CB 0.731 33.340 32.600 0.016 0.000 1.666 194 M HN -0.122 nan 8.290 nan 0.000 0.461 195 D N 1.676 122.073 120.400 -0.004 0.000 2.525 195 D HA 0.375 5.005 4.640 -0.018 0.000 0.235 195 D C -0.238 176.065 176.300 0.005 0.000 1.137 195 D CA 0.541 54.538 54.000 -0.005 0.000 0.868 195 D CB 0.526 41.320 40.800 -0.009 0.000 1.180 195 D HN 0.666 nan 8.370 nan 0.000 0.465 196 A N 1.356 124.178 122.820 0.003 0.000 2.524 196 A HA 0.654 4.963 4.320 -0.018 0.000 0.286 196 A C -0.123 177.462 177.584 0.002 0.000 1.203 196 A CA -0.735 51.307 52.037 0.009 0.000 0.736 196 A CB 0.674 19.682 19.000 0.014 0.000 1.322 196 A HN 0.410 nan 8.150 nan 0.000 0.424 197 V N -2.098 117.819 119.914 0.004 0.000 3.287 197 V HA 0.388 4.497 4.120 -0.018 0.000 0.306 197 V C -2.538 173.555 176.094 -0.002 0.000 1.103 197 V CA -1.200 61.100 62.300 0.001 0.000 1.159 197 V CB -0.727 31.098 31.823 0.004 0.000 1.036 197 V HN 0.643 nan 8.190 nan 0.000 0.487 198 P HA 0.405 nan 4.420 nan 0.000 0.271 198 P C -0.401 176.898 177.300 -0.002 0.000 1.218 198 P CA 0.108 63.204 63.100 -0.006 0.000 0.780 198 P CB 0.950 32.645 31.700 -0.008 0.000 0.901 199 V N -1.045 118.869 119.914 -0.000 0.000 3.156 199 V HA 0.878 4.987 4.120 -0.018 0.000 0.310 199 V C -0.409 175.693 176.094 0.012 0.000 1.234 199 V CA -0.836 61.468 62.300 0.006 0.000 1.065 199 V CB 1.660 33.486 31.823 0.006 0.000 1.088 199 V HN 0.603 nan 8.190 nan 0.000 0.451 200 T N -1.454 113.116 114.554 0.027 0.000 2.940 200 T HA 0.592 4.931 4.350 -0.018 0.000 0.288 200 T C 0.877 175.627 174.700 0.084 0.000 1.033 200 T CA -0.567 61.558 62.100 0.042 0.000 1.033 200 T CB 1.606 70.507 68.868 0.055 0.000 1.079 200 T HN 0.698 nan 8.240 nan 0.000 0.496 201 L N 1.303 122.586 121.223 0.100 0.000 2.079 201 L HA 0.011 4.340 4.340 -0.018 0.000 0.210 201 L C 2.893 179.994 176.870 0.385 0.000 1.081 201 L CA 1.798 56.780 54.840 0.236 0.000 0.752 201 L CB -0.934 41.172 42.059 0.080 0.000 0.896 201 L HN 1.048 nan 8.230 nan 0.000 0.433 202 G N -0.977 107.996 108.800 0.289 0.000 2.446 202 G HA2 -0.300 3.650 3.960 -0.018 0.000 0.217 202 G HA3 -0.300 3.650 3.960 -0.018 0.000 0.217 202 G C 1.439 176.433 174.900 0.157 0.000 1.168 202 G CA 0.563 45.803 45.100 0.233 0.000 0.771 202 G HN 0.395 nan 8.290 nan 0.000 0.551 203 Q N -0.253 119.603 119.800 0.095 0.000 2.061 203 Q HA -0.119 4.210 4.340 -0.018 0.000 0.204 203 Q C 2.453 178.429 176.000 -0.040 0.000 0.984 203 Q CA 1.448 57.268 55.803 0.027 0.000 0.846 203 Q CB -0.196 28.551 28.738 0.014 0.000 0.902 203 Q HN 0.659 nan 8.270 nan 0.000 0.421 204 E N 0.045 120.218 120.200 -0.045 0.000 2.058 204 E HA -0.200 4.140 4.350 -0.018 0.000 0.194 204 E C 1.623 177.785 176.600 -0.730 0.000 0.997 204 E CA 1.074 57.293 56.400 -0.301 0.000 0.801 204 E CB -0.065 29.556 29.700 -0.131 0.000 0.746 204 E HN 0.307 nan 8.360 nan 0.000 0.450 205 F N 0.612 120.332 119.950 -0.385 0.000 2.234 205 F HA -0.178 4.339 4.527 -0.017 0.000 0.299 205 F C 2.856 178.557 175.800 -0.165 0.000 1.087 205 F CA 1.191 59.038 58.000 -0.254 0.000 1.340 205 F CB -0.179 38.851 39.000 0.050 0.000 1.031 205 F HN 0.120 nan 8.300 nan 0.000 0.500 206 S N -0.177 115.528 115.700 0.009 0.000 2.382 206 S HA -0.116 4.343 4.470 -0.018 0.000 0.228 206 S C 2.385 176.954 174.600 -0.052 0.000 1.027 206 S CA 1.166 59.367 58.200 0.000 0.000 0.991 206 S CB -1.310 61.894 63.200 0.007 0.000 0.823 206 S HN 0.345 nan 8.310 nan 0.000 0.469 207 G N 0.556 109.259 108.800 -0.162 0.000 2.421 207 G HA2 -0.132 3.818 3.960 -0.018 0.000 0.216 207 G HA3 -0.132 3.818 3.960 -0.018 0.000 0.216 207 G C 1.240 176.121 174.900 -0.032 0.000 1.171 207 G CA 1.024 46.042 45.100 -0.136 0.000 0.775 207 G HN 0.593 nan 8.290 nan 0.000 0.543 208 Y N 1.379 121.648 120.300 -0.051 0.000 2.181 208 Y HA 0.046 4.585 4.550 -0.018 0.000 0.288 208 Y C 3.129 179.024 175.900 -0.007 0.000 1.146 208 Y CA 0.131 58.194 58.100 -0.061 0.000 1.164 208 Y CB -1.271 37.087 38.460 -0.169 0.000 0.982 208 Y HN 0.266 nan 8.280 nan 0.000 0.515 209 A N 0.302 123.212 122.820 0.151 0.000 1.902 209 A HA -0.229 4.080 4.320 -0.018 0.000 0.217 209 A C 2.336 179.965 177.584 0.074 0.000 1.181 209 A CA 2.002 54.103 52.037 0.106 0.000 0.623 209 A CB -0.639 18.411 19.000 0.083 0.000 0.818 209 A HN 0.328 nan 8.150 nan 0.000 0.443 210 R N 0.135 120.669 120.500 0.057 0.000 2.096 210 R HA -0.128 4.202 4.340 -0.018 0.000 0.235 210 R C 2.159 178.490 176.300 0.051 0.000 1.127 210 R CA 2.146 58.271 56.100 0.042 0.000 0.968 210 R CB -0.720 29.596 30.300 0.026 0.000 0.861 210 R HN 0.684 nan 8.270 nan 0.000 0.440 211 Q N -0.411 119.432 119.800 0.072 0.000 2.135 211 Q HA -0.126 4.203 4.340 -0.018 0.000 0.204 211 Q C 1.777 177.814 176.000 0.062 0.000 0.981 211 Q CA 1.404 57.249 55.803 0.069 0.000 0.856 211 Q CB -0.076 28.717 28.738 0.093 0.000 0.902 211 Q HN 0.330 nan 8.270 nan 0.000 0.425 212 I N 0.583 121.197 120.570 0.073 0.000 2.333 212 I HA -0.180 3.979 4.170 -0.018 0.000 0.246 212 I C 2.256 178.405 176.117 0.052 0.000 1.106 212 I CA 1.173 62.512 61.300 0.065 0.000 1.411 212 I CB -1.156 36.890 38.000 0.077 0.000 1.082 212 I HN 0.314 nan 8.210 nan 0.000 0.420 213 E N 1.405 121.633 120.200 0.048 0.000 2.085 213 E HA -0.234 4.106 4.350 -0.018 0.000 0.194 213 E C 2.273 178.893 176.600 0.033 0.000 0.994 213 E CA 1.674 58.096 56.400 0.037 0.000 0.801 213 E CB 0.080 29.799 29.700 0.032 0.000 0.743 213 E HN 0.420 nan 8.360 nan 0.000 0.453 214 A N 0.540 123.379 122.820 0.033 0.000 1.972 214 A HA -0.070 4.240 4.320 -0.018 0.000 0.219 214 A C 2.359 179.960 177.584 0.029 0.000 1.169 214 A CA 1.559 53.613 52.037 0.028 0.000 0.635 214 A CB -0.977 18.039 19.000 0.026 0.000 0.810 214 A HN 0.457 nan 8.150 nan 0.000 0.446 215 G N 0.114 108.934 108.800 0.034 0.000 2.418 215 G HA2 -0.168 3.781 3.960 -0.018 0.000 0.217 215 G HA3 -0.168 3.781 3.960 -0.018 0.000 0.217 215 G C 1.500 176.423 174.900 0.039 0.000 1.158 215 G CA 1.102 46.222 45.100 0.033 0.000 0.771 215 G HN 0.485 nan 8.290 nan 0.000 0.545 216 I N 0.503 121.098 120.570 0.041 0.000 2.252 216 I HA -0.132 4.028 4.170 -0.018 0.000 0.245 216 I C 2.732 178.872 176.117 0.038 0.000 1.102 216 I CA 1.144 62.470 61.300 0.043 0.000 1.385 216 I CB -0.275 37.748 38.000 0.038 0.000 1.064 216 I HN 0.236 nan 8.210 nan 0.000 0.414 217 E N 0.691 120.910 120.200 0.031 0.000 2.097 217 E HA -0.262 4.077 4.350 -0.018 0.000 0.196 217 E C 2.346 178.964 176.600 0.029 0.000 1.000 217 E CA 1.280 57.696 56.400 0.026 0.000 0.804 217 E CB -0.123 29.591 29.700 0.022 0.000 0.740 217 E HN 0.419 nan 8.360 nan 0.000 0.454 218 R N 0.216 120.733 120.500 0.029 0.000 2.081 218 R HA -0.109 4.221 4.340 -0.018 0.000 0.235 218 R C 2.433 178.756 176.300 0.038 0.000 1.131 218 R CA 1.093 57.209 56.100 0.027 0.000 0.960 218 R CB -0.266 30.047 30.300 0.020 0.000 0.856 218 R HN 0.044 nan 8.270 nan 0.000 0.436 219 V N 0.781 120.726 119.914 0.052 0.000 2.307 219 V HA -0.227 3.883 4.120 -0.018 0.000 0.245 219 V C 2.255 178.392 176.094 0.073 0.000 1.045 219 V CA 1.675 64.025 62.300 0.082 0.000 1.024 219 V CB -0.458 31.436 31.823 0.118 0.000 0.651 219 V HN 0.284 nan 8.190 nan 0.000 0.449 220 R N 0.162 120.694 120.500 0.053 0.000 2.105 220 R HA -0.151 4.178 4.340 -0.018 0.000 0.239 220 R C 2.359 178.680 176.300 0.036 0.000 1.135 220 R CA 1.467 57.590 56.100 0.039 0.000 0.967 220 R CB -0.597 29.720 30.300 0.028 0.000 0.861 220 R HN 0.538 nan 8.270 nan 0.000 0.442 221 A N 0.555 123.396 122.820 0.034 0.000 2.070 221 A HA -0.153 4.156 4.320 -0.018 0.000 0.220 221 A C 2.107 179.712 177.584 0.035 0.000 1.159 221 A CA 1.910 53.964 52.037 0.030 0.000 0.656 221 A CB -0.589 18.425 19.000 0.025 0.000 0.800 221 A HN 0.519 nan 8.150 nan 0.000 0.453 222 T N -2.758 111.825 114.554 0.047 0.000 3.057 222 T HA 0.172 4.512 4.350 -0.018 0.000 0.254 222 T C 1.686 176.422 174.700 0.060 0.000 1.094 222 T CA 0.628 62.762 62.100 0.056 0.000 1.088 222 T CB -0.440 68.472 68.868 0.073 0.000 0.934 222 T HN 0.302 nan 8.240 nan 0.000 0.497 223 L N 0.961 122.215 121.223 0.052 0.000 2.079 223 L HA 0.014 4.343 4.340 -0.018 0.000 0.210 223 L C -0.398 176.494 176.870 0.036 0.000 1.081 223 L CA 1.313 56.179 54.840 0.043 0.000 0.752 223 L CB -1.731 40.345 42.059 0.028 0.000 0.896 223 L HN 0.238 nan 8.230 nan 0.000 0.433 224 P HA -0.146 nan 4.420 nan 0.000 0.219 224 P C 1.342 178.660 177.300 0.029 0.000 1.146 224 P CA 1.455 64.569 63.100 0.023 0.000 0.808 224 P CB 0.055 31.766 31.700 0.019 0.000 0.779 225 R N -2.117 118.409 120.500 0.044 0.000 2.195 225 R HA 0.158 4.488 4.340 -0.018 0.000 0.197 225 R C 1.996 178.357 176.300 0.101 0.000 0.990 225 R CA -0.064 56.069 56.100 0.055 0.000 1.048 225 R CB -1.007 29.324 30.300 0.052 0.000 0.997 225 R HN 0.067 nan 8.270 nan 0.000 0.502 226 L N 0.771 122.064 121.223 0.118 0.000 2.079 226 L HA -0.017 4.312 4.340 -0.018 0.000 0.210 226 L C 1.837 178.839 176.870 0.220 0.000 1.081 226 L CA 2.012 56.959 54.840 0.178 0.000 0.752 226 L CB -0.786 41.342 42.059 0.115 0.000 0.896 226 L HN 0.229 nan 8.230 nan 0.000 0.433 227 G N -1.324 107.540 108.800 0.106 0.000 2.848 227 G HA2 -0.083 3.867 3.960 -0.018 0.000 0.208 227 G HA3 -0.083 3.867 3.960 -0.018 0.000 0.208 227 G C 0.473 175.393 174.900 0.033 0.000 1.152 227 G CA -0.235 44.903 45.100 0.065 0.000 0.789 227 G HN 0.460 nan 8.290 nan 0.000 0.531 228 E N 0.125 120.332 120.200 0.013 0.000 2.360 228 E HA 0.364 4.703 4.350 -0.018 0.000 0.269 228 E C -0.374 176.130 176.600 -0.161 0.000 1.022 228 E CA 0.020 56.379 56.400 -0.068 0.000 0.887 228 E CB 1.132 30.785 29.700 -0.079 0.000 0.990 228 E HN 0.137 nan 8.360 nan 0.000 0.426 229 L N 1.595 122.743 121.223 -0.126 0.000 2.346 229 L HA 0.401 4.730 4.340 -0.018 0.000 0.274 229 L C 0.753 177.549 176.870 -0.122 0.000 1.007 229 L CA -0.645 54.116 54.840 -0.131 0.000 0.818 229 L CB 1.688 43.703 42.059 -0.074 0.000 1.284 229 L HN 0.623 nan 8.230 nan 0.000 0.424 230 A N 2.588 125.337 122.820 -0.118 0.000 2.169 230 A HA 0.086 4.396 4.320 -0.018 0.000 0.212 230 A C 0.743 178.301 177.584 -0.043 0.000 1.153 230 A CA 0.082 52.067 52.037 -0.087 0.000 0.756 230 A CB -0.154 18.804 19.000 -0.070 0.000 0.813 230 A HN 0.562 nan 8.150 nan 0.000 0.471 231 I N 0.113 120.668 120.570 -0.024 0.000 2.775 231 I HA 0.347 4.507 4.170 -0.018 0.000 0.290 231 I C 1.374 177.525 176.117 0.056 0.000 1.203 231 I CA 1.542 62.859 61.300 0.029 0.000 1.433 231 I CB 0.383 38.387 38.000 0.006 0.000 1.354 231 I HN 0.538 nan 8.210 nan 0.000 0.579 232 G N 4.448 113.341 108.800 0.156 0.000 2.259 232 G HA2 -0.222 3.727 3.960 -0.018 0.000 0.217 232 G HA3 -0.222 3.727 3.960 -0.018 0.000 0.217 232 G C 1.060 175.993 174.900 0.055 0.000 1.001 232 G CA 0.220 45.432 45.100 0.186 0.000 0.627 232 G HN 1.220 nan 8.290 nan 0.000 0.501 233 G N 0.676 109.468 108.800 -0.014 0.000 2.598 233 G HA2 0.395 4.344 3.960 -0.018 0.000 0.215 233 G HA3 0.395 4.344 3.960 -0.018 0.000 0.215 233 G C 1.460 176.326 174.900 -0.056 0.000 1.131 233 G CA 2.617 47.661 45.100 -0.093 0.000 0.785 233 G HN 2.195 nan 8.290 nan 0.000 0.539 234 T N -1.647 112.901 114.554 -0.009 0.000 10.310 234 T HA -0.381 3.959 4.350 -0.018 0.000 0.612 234 T C 1.877 176.581 174.700 0.007 0.000 1.249 234 T CA 1.964 64.063 62.100 -0.001 0.000 3.258 234 T CB -1.385 67.473 68.868 -0.016 0.000 2.548 234 T HN 1.289 nan 8.240 nan 0.000 0.326 235 A N 0.963 123.792 122.820 0.015 0.000 1.902 235 A HA 0.248 4.558 4.320 -0.018 0.000 0.217 235 A C 2.700 180.312 177.584 0.046 0.000 1.181 235 A CA 3.780 55.835 52.037 0.030 0.000 0.623 235 A CB -0.859 18.159 19.000 0.029 0.000 0.818 235 A HN 2.069 nan 8.150 nan 0.000 0.443 236 V N -5.964 113.984 119.914 0.055 0.000 3.432 236 V HA 0.625 4.735 4.120 -0.018 0.000 0.298 236 V C 1.144 177.304 176.094 0.111 0.000 1.464 236 V CA 0.742 63.107 62.300 0.108 0.000 1.046 236 V CB -0.302 31.607 31.823 0.143 0.000 0.887 236 V HN 1.509 nan 8.190 nan 0.000 0.441 237 G N 1.349 110.117 108.800 -0.054 0.000 2.201 237 G HA2 -0.272 3.678 3.960 -0.018 0.000 0.212 237 G HA3 -0.272 3.678 3.960 -0.018 0.000 0.212 237 G C 0.901 175.467 174.900 -0.557 0.000 0.994 237 G CA 0.864 45.724 45.100 -0.399 0.000 0.644 237 G HN 1.047 nan 8.290 nan 0.000 0.508 238 T N -1.455 113.036 114.554 -0.106 0.000 3.081 238 T HA 0.410 4.749 4.350 -0.018 0.000 0.255 238 T C 2.447 177.142 174.700 -0.007 0.000 1.113 238 T CA 1.728 63.853 62.100 0.041 0.000 1.082 238 T CB 0.194 69.168 68.868 0.176 0.000 0.939 238 T HN 2.174 nan 8.240 nan 0.000 0.506 239 G N 1.021 109.798 108.800 -0.037 0.000 2.162 239 G HA2 -0.234 3.716 3.960 -0.018 0.000 0.260 239 G HA3 -0.234 3.716 3.960 -0.018 0.000 0.260 239 G C -0.021 174.876 174.900 -0.004 0.000 0.976 239 G CA 0.068 45.159 45.100 -0.015 0.000 0.655 239 G HN 0.750 nan 8.290 nan 0.000 0.533 240 L N 0.809 122.037 121.223 0.007 0.000 2.640 240 L HA 0.293 4.623 4.340 -0.018 0.000 0.280 240 L C 1.096 177.953 176.870 -0.021 0.000 1.229 240 L CA 1.532 56.374 54.840 0.003 0.000 0.919 240 L CB -0.221 41.848 42.059 0.017 0.000 1.168 240 L HN 0.420 nan 8.230 nan 0.000 0.496 241 N N 1.447 120.128 118.700 -0.031 0.000 2.800 241 N HA -0.198 4.532 4.740 -0.018 0.000 0.250 241 N C -0.350 175.094 175.510 -0.110 0.000 1.078 241 N CA 1.196 54.211 53.050 -0.058 0.000 0.804 241 N CB -1.556 36.901 38.487 -0.050 0.000 1.135 241 N HN 0.806 nan 8.380 nan 0.000 0.565 242 A N 0.092 122.845 122.820 -0.112 0.000 2.340 242 A HA 0.759 5.069 4.320 -0.018 0.000 0.331 242 A C -2.179 175.345 177.584 -0.100 0.000 1.140 242 A CA -1.269 50.649 52.037 -0.199 0.000 0.801 242 A CB 1.146 20.050 19.000 -0.160 0.000 1.234 242 A HN -0.085 nan 8.150 nan 0.000 0.469 243 P HA 0.136 nan 4.420 nan 0.000 0.269 243 P C -0.492 176.853 177.300 0.076 0.000 1.215 243 P CA -0.164 62.943 63.100 0.012 0.000 0.780 243 P CB 0.358 32.095 31.700 0.062 0.000 0.898 244 E N 0.994 121.229 120.200 0.060 0.000 2.480 244 E HA 0.174 4.513 4.350 -0.018 0.000 0.258 244 E C 1.488 178.137 176.600 0.083 0.000 0.984 244 E CA 1.210 57.647 56.400 0.061 0.000 0.930 244 E CB -0.497 29.228 29.700 0.041 0.000 0.936 244 E HN 0.782 nan 8.360 nan 0.000 0.466 245 G N 3.464 112.311 108.800 0.080 0.000 2.153 245 G HA2 -0.374 3.576 3.960 -0.018 0.000 0.252 245 G HA3 -0.374 3.576 3.960 -0.018 0.000 0.252 245 G C 0.661 175.617 174.900 0.094 0.000 0.994 245 G CA 0.436 45.575 45.100 0.066 0.000 0.698 245 G HN 0.551 nan 8.290 nan 0.000 0.521 246 F N 1.549 121.493 119.950 -0.010 0.000 2.095 246 F HA 0.026 4.542 4.527 -0.018 0.000 0.298 246 F C 2.444 178.235 175.800 -0.014 0.000 1.104 246 F CA 2.929 60.924 58.000 -0.009 0.000 1.232 246 F CB -0.632 38.364 39.000 -0.008 0.000 0.987 246 F HN 0.166 nan 8.300 nan 0.000 0.475 247 G N -0.032 108.784 108.800 0.028 0.000 2.491 247 G HA2 -0.264 3.685 3.960 -0.018 0.000 0.218 247 G HA3 -0.264 3.685 3.960 -0.018 0.000 0.218 247 G C 1.813 176.634 174.900 -0.131 0.000 1.180 247 G CA 1.429 46.482 45.100 -0.078 0.000 0.774 247 G HN 0.347 nan 8.290 nan 0.000 0.562 248 V N 0.862 120.729 119.914 -0.078 0.000 2.332 248 V HA -0.230 3.879 4.120 -0.018 0.000 0.248 248 V C 2.840 178.870 176.094 -0.106 0.000 1.055 248 V CA 2.513 64.770 62.300 -0.073 0.000 1.038 248 V CB -0.464 31.336 31.823 -0.038 0.000 0.651 248 V HN 0.398 nan 8.190 nan 0.000 0.450 249 K N -0.533 119.785 120.400 -0.136 0.000 2.097 249 K HA -0.095 4.214 4.320 -0.018 0.000 0.205 249 K C 2.017 178.486 176.600 -0.218 0.000 1.050 249 K CA 1.215 57.411 56.287 -0.152 0.000 0.938 249 K CB -0.356 32.064 32.500 -0.134 0.000 0.718 249 K HN 0.318 nan 8.250 nan 0.000 0.442 250 V N 0.877 120.577 119.914 -0.357 0.000 2.358 250 V HA -0.201 3.908 4.120 -0.018 0.000 0.246 250 V C 2.187 178.165 176.094 -0.194 0.000 1.047 250 V CA 1.365 63.456 62.300 -0.349 0.000 1.035 250 V CB -0.216 31.293 31.823 -0.523 0.000 0.658 250 V HN 0.081 nan 8.190 nan 0.000 0.452 251 V N -0.367 119.450 119.914 -0.162 0.000 2.332 251 V HA -0.272 3.837 4.120 -0.018 0.000 0.248 251 V C 2.671 178.714 176.094 -0.084 0.000 1.055 251 V CA 2.378 64.616 62.300 -0.104 0.000 1.038 251 V CB -0.703 31.069 31.823 -0.085 0.000 0.651 251 V HN 0.621 nan 8.190 nan 0.000 0.450 252 S N -0.383 115.266 115.700 -0.085 0.000 2.370 252 S HA -0.179 4.281 4.470 -0.018 0.000 0.226 252 S C 1.991 176.555 174.600 -0.061 0.000 1.033 252 S CA 1.935 60.097 58.200 -0.064 0.000 1.011 252 S CB -0.216 62.949 63.200 -0.058 0.000 0.852 252 S HN 0.346 nan 8.310 nan 0.000 0.457 253 V N 2.188 122.058 119.914 -0.074 0.000 2.295 253 V HA -0.165 3.944 4.120 -0.018 0.000 0.246 253 V C 2.425 178.486 176.094 -0.054 0.000 1.049 253 V CA 1.939 64.202 62.300 -0.062 0.000 1.024 253 V CB -0.777 31.004 31.823 -0.070 0.000 0.648 253 V HN 0.470 nan 8.190 nan 0.000 0.447 254 L N -0.465 120.720 121.223 -0.064 0.000 2.042 254 L HA -0.176 4.153 4.340 -0.018 0.000 0.210 254 L C 2.499 179.342 176.870 -0.045 0.000 1.076 254 L CA 1.245 56.053 54.840 -0.053 0.000 0.749 254 L CB -0.744 41.279 42.059 -0.059 0.000 0.893 254 L HN 0.192 nan 8.230 nan 0.000 0.432 255 V N -0.973 118.914 119.914 -0.046 0.000 2.287 255 V HA -0.332 3.777 4.120 -0.018 0.000 0.248 255 V C 2.712 178.786 176.094 -0.034 0.000 1.053 255 V CA 2.141 64.418 62.300 -0.039 0.000 1.027 255 V CB -0.487 31.314 31.823 -0.037 0.000 0.646 255 V HN 0.485 nan 8.190 nan 0.000 0.447 256 S N -1.082 114.598 115.700 -0.034 0.000 2.368 256 S HA -0.276 4.184 4.470 -0.018 0.000 0.225 256 S C 2.043 176.628 174.600 -0.026 0.000 1.030 256 S CA 2.000 60.183 58.200 -0.028 0.000 0.999 256 S CB -0.203 62.981 63.200 -0.027 0.000 0.844 256 S HN 0.699 nan 8.310 nan 0.000 0.459 257 Q N -0.317 119.466 119.800 -0.028 0.000 2.123 257 Q HA -0.057 4.273 4.340 -0.018 0.000 0.199 257 Q C 2.323 178.307 176.000 -0.025 0.000 0.966 257 Q CA 1.758 57.547 55.803 -0.024 0.000 0.845 257 Q CB -0.200 28.524 28.738 -0.023 0.000 0.907 257 Q HN 0.844 nan 8.270 nan 0.000 0.439 258 T N -4.190 110.346 114.554 -0.030 0.000 3.051 258 T HA 0.195 4.534 4.350 -0.018 0.000 0.255 258 T C 1.415 176.094 174.700 -0.035 0.000 1.085 258 T CA 0.463 62.543 62.100 -0.033 0.000 1.109 258 T CB 0.321 69.166 68.868 -0.038 0.000 0.921 258 T HN 0.386 nan 8.240 nan 0.000 0.488 259 G N 1.647 110.427 108.800 -0.033 0.000 2.225 259 G HA2 -0.215 3.734 3.960 -0.018 0.000 0.267 259 G HA3 -0.215 3.734 3.960 -0.018 0.000 0.267 259 G C -0.078 174.799 174.900 -0.037 0.000 1.024 259 G CA 0.353 45.433 45.100 -0.034 0.000 0.784 259 G HN 0.645 nan 8.290 nan 0.000 0.507 260 L N 0.783 121.983 121.223 -0.038 0.000 2.321 260 L HA 0.322 4.651 4.340 -0.018 0.000 0.272 260 L C -0.822 176.028 176.870 -0.033 0.000 1.050 260 L CA -2.035 52.781 54.840 -0.039 0.000 0.893 260 L CB 1.597 43.629 42.059 -0.045 0.000 1.272 260 L HN -0.049 nan 8.230 nan 0.000 0.435 261 P HA -0.098 nan 4.420 nan 0.000 0.237 261 P C 0.695 177.982 177.300 -0.021 0.000 1.178 261 P CA 0.631 63.716 63.100 -0.025 0.000 0.766 261 P CB 0.476 32.163 31.700 -0.021 0.000 0.876 262 Q N -0.165 119.623 119.800 -0.021 0.000 2.297 262 Q HA 0.048 4.377 4.340 -0.018 0.000 0.204 262 Q C 0.971 176.963 176.000 -0.013 0.000 0.962 262 Q CA 0.485 56.279 55.803 -0.014 0.000 0.879 262 Q CB -0.659 28.071 28.738 -0.014 0.000 0.947 262 Q HN 0.329 nan 8.270 nan 0.000 0.462 263 L N 2.788 123.998 121.223 -0.021 0.000 2.462 263 L HA 0.184 4.514 4.340 -0.018 0.000 0.272 263 L C 0.296 177.149 176.870 -0.028 0.000 1.166 263 L CA 0.049 54.875 54.840 -0.023 0.000 0.880 263 L CB 0.074 42.114 42.059 -0.032 0.000 1.142 263 L HN 0.232 nan 8.230 nan 0.000 0.473 264 R N 0.688 121.171 120.500 -0.029 0.000 2.739 264 R HA 0.546 4.875 4.340 -0.018 0.000 0.271 264 R C -0.760 175.514 176.300 -0.043 0.000 1.010 264 R CA -0.912 55.168 56.100 -0.033 0.000 0.897 264 R CB 1.071 31.357 30.300 -0.023 0.000 1.236 264 R HN 0.482 nan 8.270 nan 0.000 0.466 265 T N -0.348 114.179 114.554 -0.044 0.000 2.932 265 T HA 0.395 4.734 4.350 -0.018 0.000 0.312 265 T C 0.792 175.463 174.700 -0.048 0.000 1.071 265 T CA -0.271 61.799 62.100 -0.050 0.000 1.128 265 T CB 0.845 69.688 68.868 -0.042 0.000 0.984 265 T HN 0.733 nan 8.240 nan 0.000 0.549 266 A N 2.042 124.825 122.820 -0.062 0.000 2.445 266 A HA 0.585 4.894 4.320 -0.018 0.000 0.242 266 A C 1.784 179.346 177.584 -0.036 0.000 1.075 266 A CA -0.172 51.828 52.037 -0.060 0.000 0.777 266 A CB -0.499 18.450 19.000 -0.084 0.000 1.013 266 A HN 1.372 nan 8.150 nan 0.000 0.493 267 A N 1.823 124.631 122.820 -0.020 0.000 1.908 267 A HA -0.077 4.232 4.320 -0.018 0.000 0.218 267 A C 1.141 178.732 177.584 0.011 0.000 1.181 267 A CA 1.760 53.796 52.037 -0.002 0.000 0.627 267 A CB -0.259 18.745 19.000 0.006 0.000 0.818 267 A HN 0.859 nan 8.150 nan 0.000 0.445 268 N N -0.984 117.723 118.700 0.012 0.000 2.410 268 N HA 0.161 4.890 4.740 -0.018 0.000 0.287 268 N C 0.606 176.109 175.510 -0.011 0.000 1.044 268 N CA 0.554 53.632 53.050 0.045 0.000 0.881 268 N CB 1.883 40.427 38.487 0.095 0.000 1.405 268 N HN 0.168 nan 8.380 nan 0.000 0.490 269 S N 2.793 118.424 115.700 -0.115 0.000 2.447 269 S HA -0.045 4.415 4.470 -0.018 0.000 0.233 269 S C 1.397 175.752 174.600 -0.409 0.000 1.006 269 S CA 0.666 58.681 58.200 -0.309 0.000 0.957 269 S CB -0.409 62.519 63.200 -0.453 0.000 0.773 269 S HN 0.505 nan 8.310 nan 0.000 0.507 270 F N 2.037 121.996 119.950 0.016 0.000 2.179 270 F HA 0.201 4.735 4.527 0.012 0.000 0.292 270 F C 2.859 178.670 175.800 0.018 0.000 1.089 270 F CA 0.868 58.882 58.000 0.023 0.000 1.295 270 F CB -0.556 38.460 39.000 0.027 0.000 1.041 270 F HN 0.166 nan 8.300 nan 0.000 0.487 271 E N 1.335 121.637 120.200 0.171 0.000 2.118 271 E HA -0.229 4.111 4.350 -0.018 0.000 0.195 271 E C 2.145 178.767 176.600 0.036 0.000 0.992 271 E CA 1.270 57.724 56.400 0.089 0.000 0.804 271 E CB -0.226 29.515 29.700 0.068 0.000 0.741 271 E HN 0.330 nan 8.360 nan 0.000 0.458 272 A N 0.131 122.945 122.820 -0.009 0.000 2.168 272 A HA -0.111 4.198 4.320 -0.018 0.000 0.215 272 A C 1.887 179.449 177.584 -0.036 0.000 1.152 272 A CA 1.066 53.068 52.037 -0.059 0.000 0.716 272 A CB -0.064 18.871 19.000 -0.109 0.000 0.794 272 A HN 0.314 nan 8.150 nan 0.000 0.465 273 Q N -1.955 117.847 119.800 0.004 0.000 2.477 273 Q HA 0.282 4.611 4.340 -0.018 0.000 0.252 273 Q C 2.105 178.153 176.000 0.080 0.000 0.869 273 Q CA 0.540 56.366 55.803 0.038 0.000 0.969 273 Q CB 0.124 28.877 28.738 0.024 0.000 1.144 273 Q HN 0.526 nan 8.270 nan 0.000 0.577 274 A N 0.959 123.836 122.820 0.095 0.000 2.119 274 A HA 0.320 4.629 4.320 -0.018 0.000 0.217 274 A C 0.943 178.574 177.584 0.079 0.000 1.153 274 A CA 1.165 53.263 52.037 0.101 0.000 0.692 274 A CB 0.009 19.076 19.000 0.111 0.000 0.799 274 A HN 0.295 nan 8.150 nan 0.000 0.458 275 A N -1.504 121.359 122.820 0.072 0.000 2.566 275 A HA 0.748 5.057 4.320 -0.018 0.000 0.292 275 A C -0.103 177.533 177.584 0.087 0.000 1.112 275 A CA -0.729 51.348 52.037 0.067 0.000 0.707 275 A CB 0.913 19.939 19.000 0.043 0.000 1.302 275 A HN 0.062 nan 8.150 nan 0.000 0.409 276 R N 0.644 121.207 120.500 0.104 0.000 2.776 276 R HA 0.156 4.485 4.340 -0.018 0.000 0.391 276 R C -0.725 175.654 176.300 0.132 0.000 1.116 276 R CA -0.230 55.967 56.100 0.162 0.000 1.056 276 R CB 0.422 30.827 30.300 0.176 0.000 1.369 276 R HN 0.734 nan 8.270 nan 0.000 0.590 277 D N 0.383 120.839 120.400 0.093 0.000 2.218 277 D HA -0.096 4.533 4.640 -0.018 0.000 0.204 277 D C 1.864 178.216 176.300 0.087 0.000 0.976 277 D CA 1.400 55.440 54.000 0.066 0.000 0.853 277 D CB 0.065 40.890 40.800 0.042 0.000 0.939 277 D HN 0.413 nan 8.370 nan 0.000 0.481 278 G N 0.643 109.530 108.800 0.145 0.000 2.422 278 G HA2 -0.197 3.753 3.960 -0.018 0.000 0.218 278 G HA3 -0.197 3.753 3.960 -0.018 0.000 0.218 278 G C 1.710 176.687 174.900 0.128 0.000 1.146 278 G CA 0.280 45.487 45.100 0.178 0.000 0.769 278 G HN 0.275 nan 8.290 nan 0.000 0.547 279 L N 0.184 121.467 121.223 0.100 0.000 2.109 279 L HA -0.033 4.296 4.340 -0.018 0.000 0.207 279 L C 2.951 179.833 176.870 0.020 0.000 1.086 279 L CA 0.290 55.136 54.840 0.009 0.000 0.760 279 L CB -0.501 41.544 42.059 -0.023 0.000 0.910 279 L HN 0.076 nan 8.230 nan 0.000 0.437 280 V N 0.162 120.096 119.914 0.034 0.000 2.343 280 V HA -0.300 3.810 4.120 -0.018 0.000 0.247 280 V C 2.499 178.599 176.094 0.010 0.000 1.051 280 V CA 2.051 64.361 62.300 0.017 0.000 1.036 280 V CB -0.526 31.307 31.823 0.016 0.000 0.654 280 V HN 0.520 nan 8.190 nan 0.000 0.451 281 E N 0.531 120.746 120.200 0.025 0.000 2.038 281 E HA -0.262 4.077 4.350 -0.018 0.000 0.195 281 E C 2.226 178.836 176.600 0.015 0.000 1.000 281 E CA 1.636 58.050 56.400 0.023 0.000 0.803 281 E CB -0.265 29.459 29.700 0.039 0.000 0.750 281 E HN 0.545 nan 8.360 nan 0.000 0.448 282 A N 0.483 123.320 122.820 0.029 0.000 1.933 282 A HA -0.167 4.143 4.320 -0.018 0.000 0.218 282 A C 2.341 179.883 177.584 -0.070 0.000 1.175 282 A CA 1.793 53.848 52.037 0.029 0.000 0.628 282 A CB -0.818 18.254 19.000 0.120 0.000 0.814 282 A HN 0.357 nan 8.150 nan 0.000 0.444 283 S N -0.469 115.182 115.700 -0.081 0.000 2.383 283 S HA -0.063 4.396 4.470 -0.018 0.000 0.229 283 S C 2.049 176.589 174.600 -0.099 0.000 1.030 283 S CA 1.762 59.884 58.200 -0.129 0.000 1.002 283 S CB -0.707 62.444 63.200 -0.081 0.000 0.829 283 S HN 0.711 nan 8.310 nan 0.000 0.467 284 G N 0.731 109.499 108.800 -0.053 0.000 2.440 284 G HA2 -0.102 3.848 3.960 -0.018 0.000 0.218 284 G HA3 -0.102 3.848 3.960 -0.018 0.000 0.218 284 G C 1.662 176.536 174.900 -0.042 0.000 1.154 284 G CA 1.017 46.095 45.100 -0.037 0.000 0.767 284 G HN 0.699 nan 8.290 nan 0.000 0.552 285 A N 0.559 123.353 122.820 -0.042 0.000 1.902 285 A HA 0.111 4.421 4.320 -0.018 0.000 0.217 285 A C 2.437 179.981 177.584 -0.067 0.000 1.181 285 A CA 1.252 53.268 52.037 -0.035 0.000 0.623 285 A CB -0.353 18.642 19.000 -0.007 0.000 0.818 285 A HN 0.362 nan 8.150 nan 0.000 0.443 286 L N -1.080 120.062 121.223 -0.135 0.000 2.083 286 L HA -0.159 4.170 4.340 -0.018 0.000 0.209 286 L C 2.816 179.618 176.870 -0.113 0.000 1.083 286 L CA 1.366 56.101 54.840 -0.176 0.000 0.752 286 L CB -0.632 41.228 42.059 -0.332 0.000 0.899 286 L HN 0.388 nan 8.230 nan 0.000 0.433 287 R N 0.443 120.887 120.500 -0.094 0.000 2.091 287 R HA -0.143 4.187 4.340 -0.018 0.000 0.238 287 R C 2.084 178.358 176.300 -0.043 0.000 1.136 287 R CA 2.165 58.227 56.100 -0.063 0.000 0.959 287 R CB -0.654 29.616 30.300 -0.049 0.000 0.856 287 R HN 0.301 nan 8.270 nan 0.000 0.437 288 T N 1.521 116.054 114.554 -0.035 0.000 2.746 288 T HA -0.080 4.259 4.350 -0.018 0.000 0.267 288 T C 2.001 176.690 174.700 -0.018 0.000 1.039 288 T CA 1.519 63.607 62.100 -0.020 0.000 1.142 288 T CB -0.148 68.713 68.868 -0.011 0.000 0.866 288 T HN 0.221 nan 8.240 nan 0.000 0.444 289 I N 1.426 121.982 120.570 -0.024 0.000 2.226 289 I HA -0.197 3.962 4.170 -0.018 0.000 0.245 289 I C 2.920 179.022 176.117 -0.024 0.000 1.100 289 I CA 1.079 62.369 61.300 -0.015 0.000 1.374 289 I CB -0.495 37.496 38.000 -0.015 0.000 1.057 289 I HN 0.197 nan 8.210 nan 0.000 0.413 290 A N 0.405 123.200 122.820 -0.041 0.000 1.908 290 A HA -0.166 4.144 4.320 -0.018 0.000 0.218 290 A C 2.455 180.014 177.584 -0.041 0.000 1.181 290 A CA 1.828 53.836 52.037 -0.048 0.000 0.627 290 A CB -0.990 17.977 19.000 -0.055 0.000 0.818 290 A HN 0.240 nan 8.150 nan 0.000 0.445 291 V N -0.072 119.824 119.914 -0.030 0.000 2.343 291 V HA -0.236 3.874 4.120 -0.018 0.000 0.247 291 V C 2.828 178.913 176.094 -0.016 0.000 1.051 291 V CA 2.392 64.679 62.300 -0.021 0.000 1.036 291 V CB -0.770 31.045 31.823 -0.014 0.000 0.654 291 V HN 0.585 nan 8.190 nan 0.000 0.451 292 S N 0.002 115.697 115.700 -0.008 0.000 2.356 292 S HA -0.118 4.342 4.470 -0.018 0.000 0.223 292 S C 1.900 176.493 174.600 -0.011 0.000 1.032 292 S CA 1.479 59.682 58.200 0.005 0.000 1.005 292 S CB -0.376 62.837 63.200 0.022 0.000 0.867 292 S HN 0.461 nan 8.310 nan 0.000 0.449 293 L N 1.109 122.319 121.223 -0.023 0.000 2.131 293 L HA -0.120 4.209 4.340 -0.018 0.000 0.210 293 L C 2.624 179.436 176.870 -0.097 0.000 1.092 293 L CA 1.072 55.882 54.840 -0.050 0.000 0.759 293 L CB -1.058 40.959 42.059 -0.070 0.000 0.903 293 L HN 0.320 nan 8.230 nan 0.000 0.435 294 T N -0.634 113.875 114.554 -0.076 0.000 2.746 294 T HA -0.221 4.118 4.350 -0.018 0.000 0.267 294 T C 1.900 176.565 174.700 -0.058 0.000 1.039 294 T CA 1.608 63.664 62.100 -0.073 0.000 1.142 294 T CB -0.093 68.747 68.868 -0.047 0.000 0.866 294 T HN 0.117 nan 8.240 nan 0.000 0.444 295 K N 1.428 121.802 120.400 -0.043 0.000 2.026 295 K HA 0.037 4.347 4.320 -0.018 0.000 0.208 295 K C 2.004 178.536 176.600 -0.114 0.000 1.048 295 K CA 1.378 57.645 56.287 -0.033 0.000 0.929 295 K CB -0.799 31.701 32.500 0.001 0.000 0.713 295 K HN 0.364 nan 8.250 nan 0.000 0.439 296 I N 0.638 121.092 120.570 -0.193 0.000 2.179 296 I HA -0.249 3.911 4.170 -0.018 0.000 0.242 296 I C 2.365 178.338 176.117 -0.240 0.000 1.088 296 I CA 1.372 62.395 61.300 -0.462 0.000 1.357 296 I CB -0.471 37.328 38.000 -0.335 0.000 1.051 296 I HN 0.284 nan 8.210 nan 0.000 0.409 297 A N 0.736 123.492 122.820 -0.106 0.000 1.902 297 A HA -0.209 4.101 4.320 -0.018 0.000 0.217 297 A C 2.093 179.654 177.584 -0.039 0.000 1.181 297 A CA 1.884 53.868 52.037 -0.088 0.000 0.623 297 A CB -0.673 18.131 19.000 -0.326 0.000 0.818 297 A HN 0.397 nan 8.150 nan 0.000 0.443 298 N N 0.538 119.224 118.700 -0.024 0.000 2.084 298 N HA -0.139 4.590 4.740 -0.018 0.000 0.190 298 N C 1.221 176.842 175.510 0.185 0.000 1.030 298 N CA 1.639 54.737 53.050 0.080 0.000 0.849 298 N CB -0.497 38.064 38.487 0.124 0.000 1.012 298 N HN 0.426 nan 8.380 nan 0.000 0.423 299 D N 0.634 121.096 120.400 0.104 0.000 2.104 299 D HA -0.069 4.561 4.640 -0.018 0.000 0.194 299 D C 2.091 178.495 176.300 0.173 0.000 0.994 299 D CA 0.580 54.671 54.000 0.151 0.000 0.830 299 D CB -0.279 40.562 40.800 0.068 0.000 0.959 299 D HN 0.285 nan 8.370 nan 0.000 0.452 300 I N 0.877 121.500 120.570 0.089 0.000 2.226 300 I HA -0.249 3.911 4.170 -0.018 0.000 0.245 300 I C 2.458 178.669 176.117 0.157 0.000 1.100 300 I CA 1.048 62.450 61.300 0.170 0.000 1.374 300 I CB -0.144 37.980 38.000 0.208 0.000 1.057 300 I HN 0.058 nan 8.210 nan 0.000 0.413 301 R N -0.084 120.462 120.500 0.077 0.000 2.115 301 R HA -0.142 4.188 4.340 -0.018 0.000 0.226 301 R C 1.959 178.211 176.300 -0.079 0.000 1.100 301 R CA 1.034 57.115 56.100 -0.031 0.000 0.980 301 R CB -0.931 29.287 30.300 -0.137 0.000 0.875 301 R HN 0.307 nan 8.270 nan 0.000 0.445 302 W N 1.554 122.884 121.300 0.050 0.000 2.358 302 W HA 0.033 4.682 4.660 -0.018 0.000 0.303 302 W C 2.403 178.961 176.519 0.065 0.000 1.208 302 W CA 0.925 58.299 57.345 0.049 0.000 1.274 302 W CB -0.077 29.408 29.460 0.042 0.000 1.138 302 W HN -0.021 nan 8.180 nan 0.000 0.515 303 M N -0.499 119.294 119.600 0.321 0.000 2.213 303 M HA -0.066 4.404 4.480 -0.018 0.000 0.263 303 M C 2.070 178.475 176.300 0.175 0.000 1.062 303 M CA 1.760 57.203 55.300 0.238 0.000 1.105 303 M CB -0.936 31.811 32.600 0.245 0.000 1.385 303 M HN 0.148 nan 8.290 nan 0.000 0.417 304 G N 0.037 108.922 108.800 0.143 0.000 2.985 304 G HA2 0.019 3.968 3.960 -0.018 0.000 0.209 304 G HA3 0.019 3.968 3.960 -0.018 0.000 0.209 304 G C 0.549 175.482 174.900 0.054 0.000 1.165 304 G CA 0.021 45.176 45.100 0.092 0.000 0.776 304 G HN 0.517 nan 8.290 nan 0.000 0.541 305 S N -0.468 115.268 115.700 0.061 0.000 2.573 305 S HA 0.595 5.054 4.470 -0.018 0.000 0.277 305 S C 0.901 175.530 174.600 0.049 0.000 1.346 305 S CA 0.444 58.651 58.200 0.012 0.000 1.034 305 S CB 1.549 64.760 63.200 0.018 0.000 0.879 305 S HN 1.516 nan 8.310 nan 0.000 0.528 306 G N 2.128 110.940 108.800 0.019 0.000 2.541 306 G HA2 -0.108 3.841 3.960 -0.018 0.000 0.208 306 G HA3 -0.108 3.841 3.960 -0.018 0.000 0.208 306 G C -1.868 173.039 174.900 0.011 0.000 1.191 306 G CA -0.095 45.023 45.100 0.031 0.000 1.217 306 G HN 0.698 nan 8.290 nan 0.000 0.566 307 P HA 0.132 nan 4.420 nan 0.000 0.215 307 P C 2.262 179.575 177.300 0.021 0.000 1.157 307 P CA 1.345 64.453 63.100 0.014 0.000 0.859 307 P CB -0.085 31.613 31.700 -0.004 0.000 0.786 308 L N 0.046 121.279 121.223 0.016 0.000 2.093 308 L HA -0.070 4.259 4.340 -0.018 0.000 0.208 308 L C 2.500 179.394 176.870 0.041 0.000 1.085 308 L CA 2.089 56.942 54.840 0.021 0.000 0.755 308 L CB -1.292 40.775 42.059 0.014 0.000 0.904 308 L HN 0.167 nan 8.230 nan 0.000 0.435 309 T N -3.782 110.801 114.554 0.049 0.000 3.107 309 T HA 0.234 4.574 4.350 -0.018 0.000 0.249 309 T C 0.809 175.575 174.700 0.109 0.000 1.096 309 T CA 0.253 62.393 62.100 0.067 0.000 1.012 309 T CB 0.219 69.121 68.868 0.058 0.000 0.977 309 T HN 0.285 nan 8.240 nan 0.000 0.527 310 G N 0.491 109.361 108.800 0.117 0.000 3.211 310 G HA2 0.595 4.545 3.960 -0.018 0.000 0.167 310 G HA3 0.595 4.545 3.960 -0.018 0.000 0.167 310 G C 0.288 175.294 174.900 0.177 0.000 1.212 310 G CA -0.737 44.475 45.100 0.187 0.000 0.928 310 G HN 0.250 nan 8.290 nan 0.000 0.607 311 L N 0.118 121.467 121.223 0.210 0.000 2.408 311 L HA 0.312 4.641 4.340 -0.018 0.000 0.215 311 L C 2.037 178.996 176.870 0.148 0.000 1.081 311 L CA 0.810 55.756 54.840 0.177 0.000 0.840 311 L CB -0.188 41.996 42.059 0.208 0.000 1.002 311 L HN 0.729 nan 8.230 nan 0.000 0.468 312 A N 0.853 123.749 122.820 0.127 0.000 2.704 312 A HA -0.253 4.057 4.320 -0.018 0.000 0.299 312 A C 1.398 179.041 177.584 0.099 0.000 1.507 312 A CA 1.212 53.303 52.037 0.090 0.000 0.776 312 A CB -1.698 17.334 19.000 0.054 0.000 1.027 312 A HN 0.601 nan 8.150 nan 0.000 0.475 313 E N -0.965 119.295 120.200 0.099 0.000 2.140 313 E HA 0.168 4.507 4.350 -0.018 0.000 0.191 313 E C 1.155 177.756 176.600 0.001 0.000 0.973 313 E CA 1.238 57.675 56.400 0.061 0.000 0.829 313 E CB 0.066 29.810 29.700 0.074 0.000 0.781 313 E HN 1.071 nan 8.360 nan 0.000 0.466 314 I N -2.185 118.409 120.570 0.039 0.000 3.074 314 I HA 0.373 4.532 4.170 -0.018 0.000 0.310 314 I C -1.207 174.950 176.117 0.066 0.000 1.153 314 I CA -1.156 60.160 61.300 0.027 0.000 0.993 314 I CB 2.086 40.143 38.000 0.095 0.000 1.237 314 I HN -0.283 nan 8.210 nan 0.000 0.443 315 Q N 2.740 122.584 119.800 0.074 0.000 2.322 315 Q HA 0.555 4.885 4.340 -0.018 0.000 0.265 315 Q C -1.463 174.597 176.000 0.099 0.000 0.985 315 Q CA -0.932 54.915 55.803 0.073 0.000 0.849 315 Q CB 2.770 31.539 28.738 0.051 0.000 1.274 315 Q HN 0.445 nan 8.270 nan 0.000 0.449 316 L N 3.742 125.019 121.223 0.089 0.000 2.375 316 L HA 0.368 4.698 4.340 -0.018 0.000 0.271 316 L C -2.095 174.816 176.870 0.067 0.000 1.107 316 L CA -1.592 53.303 54.840 0.092 0.000 0.806 316 L CB 0.018 42.132 42.059 0.091 0.000 1.146 316 L HN 0.409 nan 8.230 nan 0.000 0.447 317 P HA -0.005 nan 4.420 nan 0.000 0.265 317 P C -0.939 176.385 177.300 0.040 0.000 1.193 317 P CA -0.193 62.934 63.100 0.045 0.000 0.765 317 P CB 0.337 32.061 31.700 0.039 0.000 0.823 318 D N 3.007 123.425 120.400 0.030 0.000 2.317 318 D HA 0.193 4.822 4.640 -0.018 0.000 0.252 318 D C -0.341 175.972 176.300 0.022 0.000 1.174 318 D CA 0.195 54.209 54.000 0.024 0.000 0.866 318 D CB 0.249 41.060 40.800 0.018 0.000 1.127 318 D HN 0.167 nan 8.370 nan 0.000 0.467 327 P HA 0.443 nan 4.420 nan 0.000 0.268 327 P C 0.219 177.518 177.300 -0.002 0.000 1.208 327 P CA -0.047 63.051 63.100 -0.003 0.000 0.777 327 P CB 0.342 32.039 31.700 -0.004 0.000 0.875 328 G N 1.240 110.040 108.800 -0.001 0.000 2.398 328 G HA2 0.357 4.306 3.960 -0.018 0.000 0.246 328 G HA3 0.357 4.306 3.960 -0.018 0.000 0.246 328 G C -0.495 174.405 174.900 0.001 0.000 1.289 328 G CA -0.286 44.815 45.100 0.001 0.000 0.869 328 G HN 0.608 nan 8.290 nan 0.000 0.543 329 K N 2.322 122.723 120.400 0.001 0.000 2.793 329 K HA 0.275 4.585 4.320 -0.018 0.000 0.269 329 K C -1.117 175.482 176.600 -0.002 0.000 1.124 329 K CA -0.510 55.776 56.287 -0.001 0.000 1.074 329 K CB 1.354 33.852 32.500 -0.005 0.000 1.322 329 K HN 0.320 nan 8.250 nan 0.000 0.532 330 V N 3.716 123.631 119.914 0.003 0.000 2.432 330 V HA 0.200 4.309 4.120 -0.018 0.000 0.271 330 V C 0.184 176.276 176.094 -0.003 0.000 1.046 330 V CA -0.811 61.492 62.300 0.005 0.000 0.945 330 V CB 0.982 32.815 31.823 0.017 0.000 0.992 330 V HN 0.625 nan 8.190 nan 0.000 0.471 331 N N 6.990 125.685 118.700 -0.009 0.000 2.513 331 N HA 0.200 4.930 4.740 -0.018 0.000 0.268 331 N C -2.116 173.385 175.510 -0.014 0.000 1.180 331 N CA -1.403 51.634 53.050 -0.022 0.000 0.948 331 N CB 0.971 39.443 38.487 -0.025 0.000 1.083 331 N HN 0.429 nan 8.380 nan 0.000 0.455 332 P HA 0.016 nan 4.420 nan 0.000 0.237 332 P C 1.124 178.415 177.300 -0.015 0.000 1.788 332 P CA -0.178 62.915 63.100 -0.011 0.000 1.061 332 P CB -0.166 31.509 31.700 -0.041 0.000 1.967 333 V N 0.430 120.344 119.914 -0.001 0.000 2.427 333 V HA -0.216 3.894 4.120 -0.018 0.000 0.248 333 V C 2.074 178.163 176.094 -0.009 0.000 1.051 333 V CA 1.167 63.462 62.300 -0.009 0.000 1.048 333 V CB -1.399 30.423 31.823 -0.001 0.000 0.666 333 V HN 0.131 nan 8.190 nan 0.000 0.456 334 L N -0.180 121.061 121.223 0.030 0.000 2.072 334 L HA 0.019 4.349 4.340 -0.018 0.000 0.205 334 L C 0.326 177.137 176.870 -0.098 0.000 1.079 334 L CA 1.559 56.419 54.840 0.033 0.000 0.752 334 L CB -1.771 40.401 42.059 0.188 0.000 0.906 334 L HN 0.336 nan 8.230 nan 0.000 0.436 335 P HA -0.175 nan 4.420 nan 0.000 0.218 335 P C 1.238 178.427 177.300 -0.185 0.000 1.148 335 P CA 1.299 64.283 63.100 -0.194 0.000 0.822 335 P CB 0.070 31.733 31.700 -0.060 0.000 0.784 336 E N -0.548 119.581 120.200 -0.119 0.000 2.072 336 E HA -0.136 4.203 4.350 -0.018 0.000 0.191 336 E C 2.102 178.637 176.600 -0.109 0.000 0.985 336 E CA 1.146 57.483 56.400 -0.105 0.000 0.801 336 E CB -0.544 29.110 29.700 -0.076 0.000 0.750 336 E HN 0.147 nan 8.360 nan 0.000 0.452 337 A N 0.957 123.713 122.820 -0.106 0.000 1.902 337 A HA -0.156 4.154 4.320 -0.018 0.000 0.217 337 A C 2.502 180.000 177.584 -0.143 0.000 1.181 337 A CA 1.239 53.216 52.037 -0.099 0.000 0.623 337 A CB -0.680 18.278 19.000 -0.070 0.000 0.818 337 A HN 0.116 nan 8.150 nan 0.000 0.443 338 V N 0.608 120.378 119.914 -0.240 0.000 2.307 338 V HA -0.240 3.869 4.120 -0.018 0.000 0.245 338 V C 3.025 178.987 176.094 -0.220 0.000 1.045 338 V CA 2.497 64.609 62.300 -0.313 0.000 1.024 338 V CB -1.409 30.022 31.823 -0.653 0.000 0.651 338 V HN 0.845 nan 8.190 nan 0.000 0.449 339 T N -1.971 112.465 114.554 -0.197 0.000 2.821 339 T HA -0.249 4.091 4.350 -0.018 0.000 0.267 339 T C 1.787 176.429 174.700 -0.096 0.000 1.046 339 T CA 1.510 63.530 62.100 -0.133 0.000 1.139 339 T CB -0.345 68.457 68.868 -0.111 0.000 0.871 339 T HN 0.518 nan 8.240 nan 0.000 0.454 340 Q N 0.490 120.235 119.800 -0.091 0.000 2.079 340 Q HA -0.012 4.318 4.340 -0.018 0.000 0.200 340 Q C 2.650 178.612 176.000 -0.064 0.000 0.974 340 Q CA 1.321 57.083 55.803 -0.068 0.000 0.840 340 Q CB -0.460 28.242 28.738 -0.059 0.000 0.898 340 Q HN 0.405 nan 8.270 nan 0.000 0.430 341 V N 1.104 120.973 119.914 -0.075 0.000 2.287 341 V HA -0.332 3.777 4.120 -0.018 0.000 0.248 341 V C 2.281 178.335 176.094 -0.066 0.000 1.053 341 V CA 1.955 64.216 62.300 -0.066 0.000 1.027 341 V CB -0.983 30.797 31.823 -0.071 0.000 0.646 341 V HN 0.433 nan 8.190 nan 0.000 0.447 342 A N -0.169 122.603 122.820 -0.079 0.000 1.908 342 A HA -0.162 4.148 4.320 -0.018 0.000 0.218 342 A C 2.445 179.995 177.584 -0.057 0.000 1.181 342 A CA 2.229 54.224 52.037 -0.071 0.000 0.627 342 A CB -0.864 18.089 19.000 -0.078 0.000 0.818 342 A HN 0.603 nan 8.150 nan 0.000 0.445 343 A N -1.039 121.749 122.820 -0.053 0.000 1.908 343 A HA -0.244 4.066 4.320 -0.018 0.000 0.218 343 A C 2.158 179.718 177.584 -0.039 0.000 1.181 343 A CA 2.248 54.260 52.037 -0.042 0.000 0.627 343 A CB -0.568 18.408 19.000 -0.039 0.000 0.818 343 A HN 0.543 nan 8.150 nan 0.000 0.445 344 Q N -0.240 119.535 119.800 -0.041 0.000 2.084 344 Q HA -0.104 4.225 4.340 -0.018 0.000 0.202 344 Q C 1.892 177.868 176.000 -0.040 0.000 0.978 344 Q CA 2.078 57.860 55.803 -0.036 0.000 0.844 344 Q CB -0.564 28.154 28.738 -0.033 0.000 0.898 344 Q HN 0.356 nan 8.270 nan 0.000 0.426 345 V N 0.148 120.032 119.914 -0.050 0.000 2.358 345 V HA -0.237 3.872 4.120 -0.018 0.000 0.246 345 V C 2.161 178.223 176.094 -0.055 0.000 1.047 345 V CA 1.670 63.932 62.300 -0.063 0.000 1.035 345 V CB -0.479 31.297 31.823 -0.078 0.000 0.658 345 V HN 0.373 nan 8.190 nan 0.000 0.452 346 I N 0.678 121.221 120.570 -0.045 0.000 2.163 346 I HA -0.196 3.964 4.170 -0.018 0.000 0.243 346 I C 2.560 178.662 176.117 -0.025 0.000 1.085 346 I CA 1.853 63.133 61.300 -0.034 0.000 1.347 346 I CB -0.839 37.143 38.000 -0.029 0.000 1.044 346 I HN 0.390 nan 8.210 nan 0.000 0.408 347 G N 0.434 109.218 108.800 -0.026 0.000 2.421 347 G HA2 -0.249 3.701 3.960 -0.018 0.000 0.216 347 G HA3 -0.249 3.701 3.960 -0.018 0.000 0.216 347 G C 1.431 176.320 174.900 -0.018 0.000 1.171 347 G CA 0.783 45.869 45.100 -0.023 0.000 0.775 347 G HN 0.285 nan 8.290 nan 0.000 0.543 348 N N 0.778 119.466 118.700 -0.021 0.000 2.149 348 N HA -0.090 4.640 4.740 -0.018 0.000 0.188 348 N C 1.792 177.295 175.510 -0.012 0.000 1.019 348 N CA 1.434 54.476 53.050 -0.014 0.000 0.857 348 N CB -0.428 38.042 38.487 -0.028 0.000 0.997 348 N HN 0.461 nan 8.380 nan 0.000 0.426 349 D N 0.082 120.468 120.400 -0.024 0.000 2.144 349 D HA -0.025 4.605 4.640 -0.018 0.000 0.199 349 D C 1.750 178.058 176.300 0.013 0.000 0.984 349 D CA 1.280 55.267 54.000 -0.020 0.000 0.834 349 D CB -0.090 40.689 40.800 -0.034 0.000 0.955 349 D HN 0.236 nan 8.370 nan 0.000 0.465 350 A N 0.451 123.283 122.820 0.020 0.000 1.902 350 A HA 0.020 4.330 4.320 -0.018 0.000 0.217 350 A C 2.384 180.023 177.584 0.092 0.000 1.181 350 A CA 2.093 54.164 52.037 0.056 0.000 0.623 350 A CB -1.092 17.930 19.000 0.036 0.000 0.818 350 A HN 0.347 nan 8.150 nan 0.000 0.443 351 A N -0.612 122.239 122.820 0.051 0.000 1.902 351 A HA 0.018 4.327 4.320 -0.018 0.000 0.217 351 A C 2.233 179.889 177.584 0.119 0.000 1.181 351 A CA 1.724 53.801 52.037 0.067 0.000 0.623 351 A CB -0.921 18.103 19.000 0.041 0.000 0.818 351 A HN 0.373 nan 8.150 nan 0.000 0.443 352 V N -0.119 119.842 119.914 0.078 0.000 2.295 352 V HA -0.269 3.840 4.120 -0.018 0.000 0.246 352 V C 3.066 179.202 176.094 0.070 0.000 1.049 352 V CA 2.067 64.407 62.300 0.067 0.000 1.024 352 V CB -1.206 30.633 31.823 0.026 0.000 0.648 352 V HN 0.617 nan 8.190 nan 0.000 0.447 353 A N -0.704 122.158 122.820 0.071 0.000 1.930 353 A HA -0.250 4.059 4.320 -0.018 0.000 0.217 353 A C 2.133 179.746 177.584 0.048 0.000 1.175 353 A CA 1.696 53.762 52.037 0.047 0.000 0.627 353 A CB -0.747 18.280 19.000 0.045 0.000 0.815 353 A HN 0.750 nan 8.150 nan 0.000 0.443 354 W N 0.869 122.117 121.300 -0.086 0.000 2.355 354 W HA -0.145 4.506 4.660 -0.015 0.000 0.309 354 W C 2.091 178.444 176.519 -0.278 0.000 1.206 354 W CA 1.951 59.218 57.345 -0.130 0.000 1.284 354 W CB -0.808 28.607 29.460 -0.075 0.000 1.145 354 W HN 0.349 nan 8.180 nan 0.000 0.502 355 G N 0.435 109.260 108.800 0.042 0.000 2.418 355 G HA2 -0.241 3.708 3.960 -0.018 0.000 0.217 355 G HA3 -0.241 3.708 3.960 -0.018 0.000 0.217 355 G C 1.743 176.457 174.900 -0.309 0.000 1.158 355 G CA 1.364 46.293 45.100 -0.285 0.000 0.771 355 G HN 0.423 nan 8.290 nan 0.000 0.545 356 G N 0.976 109.711 108.800 -0.107 0.000 2.442 356 G HA2 0.050 3.999 3.960 -0.018 0.000 0.219 356 G HA3 0.050 3.999 3.960 -0.018 0.000 0.219 356 G C 1.937 176.763 174.900 -0.124 0.000 1.141 356 G CA 1.417 46.479 45.100 -0.064 0.000 0.763 356 G HN 0.671 nan 8.290 nan 0.000 0.554 357 A N 0.257 122.953 122.820 -0.207 0.000 2.119 357 A HA 0.098 4.407 4.320 -0.018 0.000 0.217 357 A C 1.796 179.235 177.584 -0.241 0.000 1.153 357 A CA 0.806 52.711 52.037 -0.220 0.000 0.692 357 A CB -0.070 18.764 19.000 -0.277 0.000 0.799 357 A HN 0.321 nan 8.150 nan 0.000 0.458 358 N N 0.447 118.952 118.700 -0.326 0.000 2.273 358 N HA 0.123 4.852 4.740 -0.018 0.000 0.231 358 N C 0.684 176.206 175.510 0.020 0.000 1.134 358 N CA 0.411 53.304 53.050 -0.261 0.000 0.856 358 N CB 0.541 38.738 38.487 -0.483 0.000 1.068 358 N HN 0.394 nan 8.380 nan 0.000 0.510 359 G N 0.316 109.132 108.800 0.027 0.000 2.664 359 G HA2 0.438 4.388 3.960 -0.018 0.000 0.242 359 G HA3 0.438 4.388 3.960 -0.018 0.000 0.242 359 G C -0.527 174.404 174.900 0.052 0.000 1.225 359 G CA -0.173 44.990 45.100 0.105 0.000 0.849 359 G HN 0.199 nan 8.290 nan 0.000 0.581 360 A N -0.054 122.815 122.820 0.082 0.000 2.408 360 A HA 0.752 5.062 4.320 -0.018 0.000 0.295 360 A C -0.011 177.647 177.584 0.123 0.000 1.040 360 A CA -0.501 51.556 52.037 0.034 0.000 0.707 360 A CB 0.638 19.745 19.000 0.178 0.000 1.235 360 A HN 1.144 nan 8.150 nan 0.000 0.418 361 F N 0.160 120.139 119.950 0.048 0.000 2.756 361 F HA -0.339 4.172 4.527 -0.026 0.000 0.240 361 F C 1.655 177.497 175.800 0.070 0.000 1.487 361 F CA 2.261 60.290 58.000 0.048 0.000 1.859 361 F CB -0.856 38.169 39.000 0.041 0.000 1.319 361 F HN 0.612 nan 8.300 nan 0.000 0.230 362 E N 0.327 120.711 120.200 0.307 0.000 2.502 362 E HA 0.299 4.638 4.350 -0.018 0.000 0.194 362 E C -0.408 176.293 176.600 0.169 0.000 1.062 362 E CA 0.486 57.020 56.400 0.223 0.000 0.867 362 E CB 0.122 29.947 29.700 0.208 0.000 0.888 362 E HN 0.291 nan 8.360 nan 0.000 0.510 363 L N 0.448 121.766 121.223 0.159 0.000 2.526 363 L HA 0.370 4.699 4.340 -0.018 0.000 0.263 363 L C -1.587 175.364 176.870 0.135 0.000 0.943 363 L CA -0.598 54.320 54.840 0.130 0.000 0.859 363 L CB 1.801 43.927 42.059 0.112 0.000 1.313 363 L HN -0.203 nan 8.230 nan 0.000 0.406 364 N N 3.703 122.485 118.700 0.137 0.000 2.422 364 N HA 0.256 4.985 4.740 -0.018 0.000 0.264 364 N C -0.198 175.423 175.510 0.186 0.000 1.063 364 N CA -0.089 53.070 53.050 0.182 0.000 0.959 364 N CB 1.596 40.186 38.487 0.172 0.000 1.087 364 N HN 0.551 nan 8.380 nan 0.000 0.483 365 V N 2.540 122.565 119.914 0.185 0.000 2.908 365 V HA 0.359 4.468 4.120 -0.018 0.000 0.369 365 V C -0.660 175.327 176.094 -0.179 0.000 1.259 365 V CA -0.350 61.951 62.300 0.002 0.000 1.406 365 V CB -1.333 30.448 31.823 -0.070 0.000 1.475 365 V HN 0.481 nan 8.190 nan 0.000 0.587 366 Y N -0.482 119.854 120.300 0.059 0.000 2.706 366 Y HA 0.515 5.053 4.550 -0.020 0.000 0.255 366 Y C 1.564 177.498 175.900 0.057 0.000 1.163 366 Y CA -0.756 57.383 58.100 0.065 0.000 1.174 366 Y CB 0.086 38.608 38.460 0.103 0.000 1.200 366 Y HN 0.285 nan 8.280 nan 0.000 0.544 367 I N 0.665 121.326 120.570 0.151 0.000 2.202 367 I HA -0.153 4.006 4.170 -0.018 0.000 0.242 367 I C -0.643 175.601 176.117 0.212 0.000 1.091 367 I CA 0.945 62.373 61.300 0.214 0.000 1.368 367 I CB -1.357 36.835 38.000 0.321 0.000 1.058 367 I HN 0.090 nan 8.210 nan 0.000 0.410 368 P HA -0.188 nan 4.420 nan 0.000 0.216 368 P C 1.924 179.166 177.300 -0.097 0.000 1.153 368 P CA 1.365 64.446 63.100 -0.031 0.000 0.848 368 P CB -0.106 31.392 31.700 -0.337 0.000 0.787 369 M N -1.290 118.235 119.600 -0.125 0.000 2.099 369 M HA -0.111 4.358 4.480 -0.018 0.000 0.262 369 M C 1.911 178.224 176.300 0.021 0.000 1.067 369 M CA 1.989 57.222 55.300 -0.111 0.000 1.124 369 M CB -0.959 31.679 32.600 0.064 0.000 1.353 369 M HN -0.067 nan 8.290 nan 0.000 0.410 370 M N -0.031 119.626 119.600 0.094 0.000 2.086 370 M HA -0.169 4.300 4.480 -0.018 0.000 0.261 370 M C 2.312 178.643 176.300 0.051 0.000 1.067 370 M CA 1.933 57.287 55.300 0.089 0.000 1.116 370 M CB -0.780 31.891 32.600 0.118 0.000 1.348 370 M HN 0.417 nan 8.290 nan 0.000 0.407 371 A N 0.532 123.390 122.820 0.062 0.000 1.883 371 A HA -0.231 4.078 4.320 -0.018 0.000 0.217 371 A C 2.172 179.764 177.584 0.014 0.000 1.186 371 A CA 2.103 54.160 52.037 0.033 0.000 0.624 371 A CB -0.890 18.152 19.000 0.070 0.000 0.822 371 A HN 0.500 nan 8.150 nan 0.000 0.444 372 R N -0.218 120.279 120.500 -0.006 0.000 2.094 372 R HA -0.204 4.126 4.340 -0.018 0.000 0.239 372 R C 1.961 178.260 176.300 -0.003 0.000 1.137 372 R CA 2.067 58.151 56.100 -0.027 0.000 0.943 372 R CB -0.479 29.766 30.300 -0.092 0.000 0.850 372 R HN 0.625 nan 8.270 nan 0.000 0.433 373 N N 0.648 119.351 118.700 0.005 0.000 2.106 373 N HA -0.173 4.556 4.740 -0.018 0.000 0.188 373 N C 1.994 177.498 175.510 -0.010 0.000 1.029 373 N CA 1.485 54.539 53.050 0.006 0.000 0.848 373 N CB -0.192 38.306 38.487 0.019 0.000 1.007 373 N HN 0.341 nan 8.380 nan 0.000 0.423 374 I N 1.387 121.955 120.570 -0.002 0.000 2.252 374 I HA -0.186 3.973 4.170 -0.018 0.000 0.245 374 I C 1.982 178.143 176.117 0.074 0.000 1.102 374 I CA 0.794 62.080 61.300 -0.024 0.000 1.385 374 I CB 0.076 38.078 38.000 0.004 0.000 1.064 374 I HN 0.063 nan 8.210 nan 0.000 0.414 375 L N 0.361 121.658 121.223 0.122 0.000 2.056 375 L HA -0.217 4.112 4.340 -0.018 0.000 0.207 375 L C 2.519 179.461 176.870 0.120 0.000 1.078 375 L CA 1.437 56.385 54.840 0.179 0.000 0.749 375 L CB -0.720 41.374 42.059 0.057 0.000 0.901 375 L HN 0.332 nan 8.230 nan 0.000 0.433 376 E N 0.203 120.431 120.200 0.046 0.000 2.058 376 E HA -0.222 4.118 4.350 -0.018 0.000 0.194 376 E C 2.220 178.828 176.600 0.012 0.000 0.997 376 E CA 1.679 58.093 56.400 0.023 0.000 0.801 376 E CB 0.110 29.813 29.700 0.005 0.000 0.746 376 E HN 0.357 nan 8.360 nan 0.000 0.450 377 S N -0.000 115.679 115.700 -0.034 0.000 2.370 377 S HA -0.148 4.312 4.470 -0.018 0.000 0.226 377 S C 1.556 176.098 174.600 -0.097 0.000 1.033 377 S CA 1.187 59.324 58.200 -0.105 0.000 1.011 377 S CB -0.412 62.670 63.200 -0.196 0.000 0.852 377 S HN 0.277 nan 8.310 nan 0.000 0.457 378 F N 2.032 121.967 119.950 -0.024 0.000 2.126 378 F HA -0.139 4.377 4.527 -0.018 0.000 0.299 378 F C 2.831 178.620 175.800 -0.019 0.000 1.096 378 F CA 1.294 59.283 58.000 -0.018 0.000 1.255 378 F CB -1.297 37.689 39.000 -0.023 0.000 0.997 378 F HN 0.139 nan 8.300 nan 0.000 0.479 379 T N 0.563 115.214 114.554 0.162 0.000 2.737 379 T HA -0.133 4.207 4.350 -0.018 0.000 0.265 379 T C 2.216 176.943 174.700 0.045 0.000 1.038 379 T CA 1.290 63.430 62.100 0.066 0.000 1.144 379 T CB -0.534 68.346 68.868 0.020 0.000 0.866 379 T HN 0.129 nan 8.240 nan 0.000 0.434 380 L N 0.408 121.647 121.223 0.027 0.000 2.046 380 L HA -0.043 4.287 4.340 -0.018 0.000 0.208 380 L C 2.505 179.382 176.870 0.011 0.000 1.077 380 L CA 1.173 56.017 54.840 0.007 0.000 0.747 380 L CB -0.655 41.396 42.059 -0.014 0.000 0.896 380 L HN 0.235 nan 8.230 nan 0.000 0.432 381 L N -0.905 120.328 121.223 0.016 0.000 2.056 381 L HA -0.167 4.163 4.340 -0.018 0.000 0.207 381 L C 2.667 179.573 176.870 0.060 0.000 1.078 381 L CA 1.295 56.148 54.840 0.022 0.000 0.749 381 L CB -0.802 41.260 42.059 0.005 0.000 0.901 381 L HN 0.260 nan 8.230 nan 0.000 0.433 382 T N -0.225 114.383 114.554 0.090 0.000 2.652 382 T HA -0.163 4.176 4.350 -0.018 0.000 0.267 382 T C 1.697 176.443 174.700 0.077 0.000 1.039 382 T CA 1.713 63.875 62.100 0.102 0.000 1.153 382 T CB -0.234 68.708 68.868 0.124 0.000 0.863 382 T HN 0.301 nan 8.240 nan 0.000 0.428 383 N N 0.563 119.298 118.700 0.057 0.000 2.171 383 N HA -0.011 4.718 4.740 -0.018 0.000 0.184 383 N C 1.917 177.458 175.510 0.050 0.000 1.021 383 N CA 0.529 53.607 53.050 0.047 0.000 0.854 383 N CB -0.835 37.670 38.487 0.029 0.000 0.994 383 N HN 0.148 nan 8.380 nan 0.000 0.426 384 V N 0.623 120.560 119.914 0.039 0.000 2.548 384 V HA -0.114 3.995 4.120 -0.018 0.000 0.249 384 V C 2.004 178.153 176.094 0.091 0.000 1.055 384 V CA 1.396 63.718 62.300 0.036 0.000 1.065 384 V CB -0.400 31.412 31.823 -0.019 0.000 0.681 384 V HN 0.212 nan 8.190 nan 0.000 0.462 385 S N -0.375 115.383 115.700 0.098 0.000 2.368 385 S HA -0.185 4.274 4.470 -0.018 0.000 0.225 385 S C 1.905 176.597 174.600 0.153 0.000 1.030 385 S CA 1.608 59.899 58.200 0.152 0.000 0.999 385 S CB -0.220 63.049 63.200 0.115 0.000 0.844 385 S HN 0.603 nan 8.310 nan 0.000 0.459 386 K N 0.901 121.364 120.400 0.105 0.000 2.002 386 K HA -0.036 4.273 4.320 -0.018 0.000 0.209 386 K C 2.093 178.746 176.600 0.087 0.000 1.048 386 K CA 1.105 57.440 56.287 0.081 0.000 0.930 386 K CB -0.459 32.079 32.500 0.064 0.000 0.714 386 K HN 0.280 nan 8.250 nan 0.000 0.438 387 L N 0.050 121.333 121.223 0.101 0.000 2.017 387 L HA -0.207 4.122 4.340 -0.018 0.000 0.208 387 L C 2.478 179.449 176.870 0.169 0.000 1.073 387 L CA 1.050 55.953 54.840 0.106 0.000 0.745 387 L CB -0.478 41.634 42.059 0.089 0.000 0.894 387 L HN 0.107 nan 8.230 nan 0.000 0.432 388 F N 0.889 120.847 119.950 0.012 0.000 2.120 388 F HA -0.278 4.238 4.527 -0.018 0.000 0.300 388 F C 2.400 178.215 175.800 0.025 0.000 1.095 388 F CA 1.189 59.197 58.000 0.015 0.000 1.249 388 F CB -0.631 38.373 39.000 0.007 0.000 0.995 388 F HN 0.029 nan 8.300 nan 0.000 0.480 389 A N -0.227 122.603 122.820 0.018 0.000 1.858 389 A HA -0.217 4.093 4.320 -0.018 0.000 0.216 389 A C 2.155 179.696 177.584 -0.072 0.000 1.190 389 A CA 1.865 53.844 52.037 -0.097 0.000 0.617 389 A CB -0.798 18.192 19.000 -0.018 0.000 0.827 389 A HN 0.581 nan 8.150 nan 0.000 0.443 390 Q N -1.383 118.409 119.800 -0.013 0.000 2.212 390 Q HA 0.063 4.392 4.340 -0.018 0.000 0.199 390 Q C 1.685 177.682 176.000 -0.005 0.000 0.950 390 Q CA 0.725 56.521 55.803 -0.011 0.000 0.863 390 Q CB 0.109 28.851 28.738 0.007 0.000 0.944 390 Q HN 0.522 nan 8.270 nan 0.000 0.465 391 R N -1.268 119.244 120.500 0.020 0.000 2.397 391 R HA 0.196 4.525 4.340 -0.018 0.000 0.241 391 R C 1.108 177.434 176.300 0.043 0.000 0.914 391 R CA 0.043 56.162 56.100 0.033 0.000 1.071 391 R CB 0.688 31.017 30.300 0.048 0.000 1.116 391 R HN 0.205 nan 8.270 nan 0.000 0.524 392 C N -0.642 118.672 119.300 0.023 0.000 2.947 392 C HA 0.227 4.677 4.460 -0.018 0.000 0.337 392 C C 2.162 177.117 174.990 -0.057 0.000 2.005 392 C CA -0.233 58.801 59.018 0.027 0.000 2.072 392 C CB -0.303 27.523 27.740 0.143 0.000 1.873 392 C HN 0.167 nan 8.230 nan 0.000 0.682 393 I N 2.902 123.348 120.570 -0.206 0.000 2.163 393 I HA -0.113 4.046 4.170 -0.018 0.000 0.243 393 I C 2.907 178.936 176.117 -0.146 0.000 1.085 393 I CA 2.280 63.468 61.300 -0.188 0.000 1.347 393 I CB -1.861 35.974 38.000 -0.276 0.000 1.044 393 I HN 0.519 nan 8.210 nan 0.000 0.408 394 A N 0.681 123.424 122.820 -0.128 0.000 1.940 394 A HA -0.110 4.200 4.320 -0.018 0.000 0.219 394 A C 2.284 179.802 177.584 -0.110 0.000 1.176 394 A CA 1.986 53.947 52.037 -0.126 0.000 0.631 394 A CB -1.212 17.737 19.000 -0.085 0.000 0.814 394 A HN 0.490 nan 8.150 nan 0.000 0.446 395 G N -1.124 107.641 108.800 -0.058 0.000 3.189 395 G HA2 0.417 4.366 3.960 -0.018 0.000 0.225 395 G HA3 0.417 4.366 3.960 -0.018 0.000 0.225 395 G C 0.364 175.279 174.900 0.025 0.000 1.159 395 G CA -0.484 44.605 45.100 -0.019 0.000 0.763 395 G HN 0.368 nan 8.290 nan 0.000 0.549 396 L N 2.072 123.313 121.223 0.031 0.000 2.514 396 L HA 0.279 4.609 4.340 -0.018 0.000 0.280 396 L C 0.909 177.947 176.870 0.281 0.000 1.223 396 L CA 0.196 55.136 54.840 0.167 0.000 0.864 396 L CB 0.598 42.810 42.059 0.255 0.000 1.118 396 L HN 0.174 nan 8.230 nan 0.000 0.494 397 T N -0.014 114.716 114.554 0.292 0.000 2.907 397 T HA 0.798 5.137 4.350 -0.018 0.000 0.292 397 T C -0.548 174.227 174.700 0.124 0.000 1.043 397 T CA -0.853 61.420 62.100 0.290 0.000 1.003 397 T CB 2.102 71.054 68.868 0.140 0.000 1.084 397 T HN 0.681 nan 8.240 nan 0.000 0.483 398 A N 2.168 124.952 122.820 -0.059 0.000 2.350 398 A HA 0.681 4.991 4.320 -0.018 0.000 0.324 398 A C -0.020 177.443 177.584 -0.203 0.000 1.118 398 A CA -1.025 50.778 52.037 -0.391 0.000 0.783 398 A CB 0.693 19.053 19.000 -1.066 0.000 1.236 398 A HN 0.789 nan 8.150 nan 0.000 0.457 399 N N 2.122 120.731 118.700 -0.151 0.000 2.895 399 N HA 0.247 4.977 4.740 -0.018 0.000 0.277 399 N C 1.107 176.577 175.510 -0.066 0.000 1.185 399 N CA 0.602 53.616 53.050 -0.061 0.000 1.106 399 N CB 1.047 39.532 38.487 -0.004 0.000 1.422 399 N HN 0.711 nan 8.380 nan 0.000 0.521 400 A N 1.677 124.442 122.820 -0.092 0.000 1.897 400 A HA -0.162 4.147 4.320 -0.018 0.000 0.215 400 A C 2.064 179.621 177.584 -0.046 0.000 1.181 400 A CA 0.962 52.938 52.037 -0.103 0.000 0.620 400 A CB -0.067 18.875 19.000 -0.097 0.000 0.821 400 A HN 0.518 nan 8.150 nan 0.000 0.443 401 E N 0.349 120.544 120.200 -0.008 0.000 2.031 401 E HA -0.284 4.055 4.350 -0.018 0.000 0.193 401 E C 1.878 178.506 176.600 0.047 0.000 0.994 401 E CA 1.837 58.247 56.400 0.017 0.000 0.800 401 E CB -1.173 28.544 29.700 0.029 0.000 0.752 401 E HN 0.806 nan 8.360 nan 0.000 0.447 402 H N 0.972 120.019 119.070 -0.037 0.000 2.387 402 H HA 0.012 4.557 4.556 -0.018 0.000 0.299 402 H C 2.386 177.694 175.328 -0.034 0.000 1.090 402 H CA 1.459 57.489 56.048 -0.030 0.000 1.332 402 H CB 0.175 29.922 29.762 -0.025 0.000 1.386 402 H HN 0.125 nan 8.280 nan 0.000 0.516 403 L N 0.201 121.388 121.223 -0.060 0.000 1.994 403 L HA -0.189 4.140 4.340 -0.018 0.000 0.208 403 L C 2.961 179.765 176.870 -0.110 0.000 1.071 403 L CA 1.472 56.245 54.840 -0.112 0.000 0.745 403 L CB -0.460 41.541 42.059 -0.098 0.000 0.892 403 L HN 0.221 nan 8.230 nan 0.000 0.431 404 R N 0.436 120.889 120.500 -0.078 0.000 2.081 404 R HA -0.215 4.115 4.340 -0.018 0.000 0.235 404 R C 2.213 178.474 176.300 -0.066 0.000 1.131 404 R CA 1.747 57.810 56.100 -0.060 0.000 0.960 404 R CB -0.170 30.106 30.300 -0.040 0.000 0.856 404 R HN 0.365 nan 8.270 nan 0.000 0.436 405 E N 0.400 120.556 120.200 -0.074 0.000 2.077 405 E HA -0.186 4.154 4.350 -0.018 0.000 0.193 405 E C 2.066 178.602 176.600 -0.106 0.000 0.989 405 E CA 1.183 57.540 56.400 -0.071 0.000 0.800 405 E CB 0.002 29.674 29.700 -0.045 0.000 0.746 405 E HN 0.408 nan 8.360 nan 0.000 0.452 406 L N 0.174 121.287 121.223 -0.183 0.000 2.027 406 L HA -0.141 4.188 4.340 -0.018 0.000 0.206 406 L C 2.697 179.506 176.870 -0.102 0.000 1.074 406 L CA 0.979 55.711 54.840 -0.178 0.000 0.745 406 L CB -0.556 41.342 42.059 -0.268 0.000 0.898 406 L HN 0.192 nan 8.230 nan 0.000 0.433 407 A N 0.094 122.862 122.820 -0.087 0.000 1.908 407 A HA -0.237 4.073 4.320 -0.018 0.000 0.218 407 A C 2.043 179.602 177.584 -0.042 0.000 1.181 407 A CA 1.739 53.743 52.037 -0.055 0.000 0.627 407 A CB -0.489 18.483 19.000 -0.046 0.000 0.818 407 A HN 0.478 nan 8.150 nan 0.000 0.445 408 E N -0.125 120.049 120.200 -0.043 0.000 2.516 408 E HA 0.006 4.345 4.350 -0.018 0.000 0.199 408 E C 1.013 177.596 176.600 -0.028 0.000 1.069 408 E CA 0.631 57.013 56.400 -0.031 0.000 0.876 408 E CB 0.017 29.700 29.700 -0.027 0.000 0.843 408 E HN 0.524 nan 8.360 nan 0.000 0.530 409 S N -0.087 115.592 115.700 -0.036 0.000 2.539 409 S HA 0.059 4.518 4.470 -0.018 0.000 0.221 409 S C 0.382 174.967 174.600 -0.024 0.000 0.987 409 S CA -0.291 57.892 58.200 -0.029 0.000 0.929 409 S CB 0.767 63.945 63.200 -0.037 0.000 0.832 409 S HN 0.003 nan 8.310 nan 0.000 0.492 410 S N 2.523 118.209 115.700 -0.024 0.000 2.513 410 S HA 0.293 4.752 4.470 -0.018 0.000 0.276 410 S C -1.938 172.656 174.600 -0.010 0.000 1.254 410 S CA -1.717 56.472 58.200 -0.018 0.000 1.053 410 S CB 0.900 64.088 63.200 -0.020 0.000 0.958 410 S HN -0.025 nan 8.310 nan 0.000 0.491 411 P HA -0.062 nan 4.420 nan 0.000 0.220 411 P C 1.086 178.387 177.300 0.003 0.000 1.144 411 P CA 0.928 64.028 63.100 0.000 0.000 0.800 411 P CB 0.076 31.777 31.700 0.001 0.000 0.772 412 S N -0.443 115.257 115.700 -0.000 0.000 2.474 412 S HA -0.091 4.369 4.470 -0.018 0.000 0.235 412 S C 1.625 176.228 174.600 0.004 0.000 0.997 412 S CA 0.940 59.142 58.200 0.003 0.000 0.949 412 S CB -0.905 62.296 63.200 0.000 0.000 0.766 412 S HN 0.394 nan 8.310 nan 0.000 0.517 413 I N -0.739 119.832 120.570 0.001 0.000 3.956 413 I HA 0.210 4.370 4.170 -0.018 0.000 0.333 413 I C 1.536 177.654 176.117 0.001 0.000 1.302 413 I CA 0.005 61.305 61.300 -0.001 0.000 1.122 413 I CB 0.031 38.027 38.000 -0.006 0.000 1.013 413 I HN 0.125 nan 8.210 nan 0.000 0.405 414 V N -1.956 117.961 119.914 0.006 0.000 3.129 414 V HA -0.043 4.067 4.120 -0.018 0.000 0.259 414 V C 2.141 178.241 176.094 0.009 0.000 1.116 414 V CA 1.664 63.968 62.300 0.006 0.000 1.127 414 V CB -1.317 30.512 31.823 0.011 0.000 0.742 414 V HN 0.426 nan 8.190 nan 0.000 0.474 415 T N 1.804 116.370 114.554 0.018 0.000 2.699 415 T HA -0.098 4.242 4.350 -0.018 0.000 0.268 415 T C -0.055 174.645 174.700 -0.001 0.000 1.036 415 T CA 2.512 64.628 62.100 0.026 0.000 1.147 415 T CB -1.445 67.445 68.868 0.037 0.000 0.862 415 T HN 0.537 nan 8.240 nan 0.000 0.446 416 P HA 0.103 nan 4.420 nan 0.000 0.231 416 P C 1.027 178.307 177.300 -0.033 0.000 1.158 416 P CA 0.654 63.743 63.100 -0.018 0.000 0.763 416 P CB -0.302 31.390 31.700 -0.012 0.000 0.805 417 L N -1.702 119.500 121.223 -0.035 0.000 2.446 417 L HA 0.008 4.338 4.340 -0.018 0.000 0.219 417 L C 1.909 178.728 176.870 -0.086 0.000 1.116 417 L CA 0.362 55.173 54.840 -0.047 0.000 0.844 417 L CB -0.747 41.293 42.059 -0.033 0.000 0.970 417 L HN -0.062 nan 8.230 nan 0.000 0.457 418 N N 0.705 119.333 118.700 -0.120 0.000 2.060 418 N HA -0.226 4.503 4.740 -0.018 0.000 0.195 418 N C 2.067 177.416 175.510 -0.268 0.000 1.028 418 N CA 2.057 54.950 53.050 -0.262 0.000 0.861 418 N CB -0.463 37.803 38.487 -0.367 0.000 1.029 418 N HN 0.388 nan 8.380 nan 0.000 0.428 419 S N -0.673 114.919 115.700 -0.179 0.000 2.474 419 S HA 0.148 4.608 4.470 -0.018 0.000 0.235 419 S C 1.810 176.350 174.600 -0.100 0.000 0.997 419 S CA 0.811 58.929 58.200 -0.136 0.000 0.949 419 S CB -0.021 63.126 63.200 -0.088 0.000 0.766 419 S HN 0.387 nan 8.310 nan 0.000 0.517 420 A N 2.051 124.818 122.820 -0.088 0.000 1.942 420 A HA 0.461 4.770 4.320 -0.018 0.000 0.209 420 A C 2.085 179.632 177.584 -0.061 0.000 1.214 420 A CA 0.717 52.717 52.037 -0.062 0.000 0.686 420 A CB -0.346 18.626 19.000 -0.047 0.000 0.871 420 A HN 0.809 nan 8.150 nan 0.000 0.460 421 I N -4.851 115.675 120.570 -0.073 0.000 4.154 421 I HA 0.552 4.712 4.170 -0.018 0.000 0.334 421 I C 0.794 176.872 176.117 -0.066 0.000 1.371 421 I CA 0.153 61.420 61.300 -0.056 0.000 1.110 421 I CB 0.264 38.241 38.000 -0.038 0.000 1.085 421 I HN 0.429 nan 8.210 nan 0.000 0.398 422 G N 1.187 109.914 108.800 -0.122 0.000 2.758 422 G HA2 -0.295 3.655 3.960 -0.018 0.000 0.686 422 G HA3 -0.295 3.655 3.960 -0.018 0.000 0.686 422 G C -0.275 174.547 174.900 -0.131 0.000 1.389 422 G CA 0.077 45.084 45.100 -0.156 0.000 0.845 422 G HN 0.215 nan 8.290 nan 0.000 0.572 423 Y N 0.434 120.732 120.300 -0.003 0.000 2.224 423 Y HA -0.060 4.479 4.550 -0.018 0.000 0.289 423 Y C 2.796 178.693 175.900 -0.004 0.000 1.146 423 Y CA 2.205 60.303 58.100 -0.004 0.000 1.182 423 Y CB -0.252 38.206 38.460 -0.004 0.000 0.983 423 Y HN 0.814 nan 8.280 nan 0.000 0.524 424 E N 0.384 120.678 120.200 0.157 0.000 2.051 424 E HA -0.170 4.170 4.350 -0.018 0.000 0.192 424 E C 1.917 178.549 176.600 0.054 0.000 0.991 424 E CA 1.619 58.073 56.400 0.090 0.000 0.799 424 E CB -0.083 29.655 29.700 0.065 0.000 0.748 424 E HN 0.252 nan 8.360 nan 0.000 0.449 425 E N 0.006 120.226 120.200 0.033 0.000 2.152 425 E HA -0.039 4.301 4.350 -0.018 0.000 0.192 425 E C 1.947 178.557 176.600 0.016 0.000 0.983 425 E CA 0.928 57.338 56.400 0.016 0.000 0.818 425 E CB -0.420 29.282 29.700 0.002 0.000 0.758 425 E HN 0.359 nan 8.360 nan 0.000 0.467 426 A N 1.682 124.513 122.820 0.019 0.000 1.883 426 A HA -0.160 4.149 4.320 -0.018 0.000 0.217 426 A C 2.439 180.043 177.584 0.034 0.000 1.186 426 A CA 2.331 54.380 52.037 0.020 0.000 0.624 426 A CB -0.695 18.317 19.000 0.021 0.000 0.822 426 A HN 0.273 nan 8.150 nan 0.000 0.444 427 A N -0.315 122.537 122.820 0.053 0.000 1.902 427 A HA 0.159 4.468 4.320 -0.018 0.000 0.217 427 A C 2.510 180.109 177.584 0.025 0.000 1.181 427 A CA 2.165 54.227 52.037 0.042 0.000 0.623 427 A CB -1.024 18.006 19.000 0.049 0.000 0.818 427 A HN 1.115 nan 8.150 nan 0.000 0.443 428 A N -0.627 122.208 122.820 0.024 0.000 1.933 428 A HA 0.020 4.329 4.320 -0.018 0.000 0.218 428 A C 2.222 179.812 177.584 0.011 0.000 1.175 428 A CA 1.710 53.756 52.037 0.015 0.000 0.628 428 A CB -0.869 18.140 19.000 0.014 0.000 0.814 428 A HN 0.368 nan 8.150 nan 0.000 0.444 429 V N -0.121 119.799 119.914 0.010 0.000 2.295 429 V HA -0.267 3.842 4.120 -0.018 0.000 0.246 429 V C 3.075 179.172 176.094 0.005 0.000 1.049 429 V CA 1.970 64.273 62.300 0.006 0.000 1.024 429 V CB -1.235 30.590 31.823 0.003 0.000 0.648 429 V HN 0.621 nan 8.190 nan 0.000 0.447 430 A N -0.349 122.476 122.820 0.009 0.000 1.908 430 A HA -0.270 4.039 4.320 -0.018 0.000 0.218 430 A C 2.299 179.886 177.584 0.005 0.000 1.181 430 A CA 2.167 54.208 52.037 0.007 0.000 0.627 430 A CB -0.455 18.551 19.000 0.010 0.000 0.818 430 A HN 0.555 nan 8.150 nan 0.000 0.445 431 K N -0.975 119.429 120.400 0.006 0.000 2.025 431 K HA -0.182 4.127 4.320 -0.018 0.000 0.207 431 K C 2.432 179.034 176.600 0.004 0.000 1.049 431 K CA 1.549 57.839 56.287 0.004 0.000 0.933 431 K CB -0.181 32.322 32.500 0.005 0.000 0.714 431 K HN 0.669 nan 8.250 nan 0.000 0.438 432 Q N 0.524 120.326 119.800 0.004 0.000 2.084 432 Q HA -0.158 4.172 4.340 -0.018 0.000 0.202 432 Q C 2.017 178.019 176.000 0.002 0.000 0.978 432 Q CA 1.448 57.253 55.803 0.003 0.000 0.844 432 Q CB -0.074 28.666 28.738 0.003 0.000 0.898 432 Q HN 0.333 nan 8.270 nan 0.000 0.426 433 A N 0.814 123.634 122.820 0.001 0.000 1.877 433 A HA -0.182 4.128 4.320 -0.018 0.000 0.216 433 A C 2.047 179.631 177.584 0.000 0.000 1.186 433 A CA 1.270 53.307 52.037 -0.000 0.000 0.620 433 A CB -0.796 18.203 19.000 -0.002 0.000 0.822 433 A HN 0.451 nan 8.150 nan 0.000 0.443 434 L N -0.656 120.567 121.223 0.000 0.000 2.017 434 L HA -0.235 4.094 4.340 -0.018 0.000 0.208 434 L C 3.259 180.131 176.870 0.003 0.000 1.073 434 L CA 1.987 56.828 54.840 0.001 0.000 0.745 434 L CB -0.742 41.318 42.059 0.000 0.000 0.894 434 L HN 0.555 nan 8.230 nan 0.000 0.432 435 K N 0.436 120.838 120.400 0.003 0.000 2.057 435 K HA -0.192 4.117 4.320 -0.018 0.000 0.207 435 K C 1.745 178.348 176.600 0.005 0.000 1.049 435 K CA 1.887 58.176 56.287 0.004 0.000 0.931 435 K CB -0.737 31.765 32.500 0.004 0.000 0.714 435 K HN 0.544 nan 8.250 nan 0.000 0.440 436 E N -1.570 118.633 120.200 0.005 0.000 2.479 436 E HA 0.165 4.505 4.350 -0.018 0.000 0.193 436 E C 0.570 177.175 176.600 0.007 0.000 1.049 436 E CA 0.305 56.708 56.400 0.006 0.000 0.870 436 E CB 0.258 29.961 29.700 0.005 0.000 0.944 436 E HN 0.532 nan 8.360 nan 0.000 0.492 437 R N 1.594 122.099 120.500 0.007 0.000 3.267 437 R HA -0.227 4.102 4.340 -0.018 0.000 0.254 437 R C -0.433 175.872 176.300 0.008 0.000 0.993 437 R CA 1.519 57.625 56.100 0.009 0.000 0.670 437 R CB -3.217 27.093 30.300 0.017 0.000 1.125 437 R HN 0.153 nan 8.270 nan 0.000 0.434 438 K N 0.160 120.562 120.400 0.003 0.000 2.350 438 K HA 0.647 4.956 4.320 -0.018 0.000 0.241 438 K C 0.811 177.408 176.600 -0.005 0.000 0.994 438 K CA -0.222 56.065 56.287 0.001 0.000 0.839 438 K CB 1.753 34.254 32.500 0.001 0.000 1.244 438 K HN 0.514 nan 8.250 nan 0.000 0.443 439 T N -1.174 113.376 114.554 -0.007 0.000 2.856 439 T HA 0.066 4.406 4.350 -0.018 0.000 0.306 439 T C 1.652 176.347 174.700 -0.008 0.000 1.062 439 T CA -0.615 61.478 62.100 -0.011 0.000 1.083 439 T CB 0.288 69.149 68.868 -0.011 0.000 0.984 439 T HN 0.321 nan 8.240 nan 0.000 0.542 440 I N 0.832 121.396 120.570 -0.010 0.000 2.151 440 I HA -0.167 3.992 4.170 -0.018 0.000 0.243 440 I C 2.733 178.846 176.117 -0.007 0.000 1.080 440 I CA 1.647 62.942 61.300 -0.007 0.000 1.339 440 I CB -1.421 36.574 38.000 -0.008 0.000 1.039 440 I HN 0.857 nan 8.210 nan 0.000 0.409 441 R N 0.662 121.158 120.500 -0.008 0.000 2.094 441 R HA -0.278 4.051 4.340 -0.018 0.000 0.239 441 R C 2.348 178.645 176.300 -0.006 0.000 1.137 441 R CA 2.275 58.371 56.100 -0.007 0.000 0.943 441 R CB -0.259 30.037 30.300 -0.008 0.000 0.850 441 R HN 0.273 nan 8.270 nan 0.000 0.433 442 Q N -0.149 119.648 119.800 -0.005 0.000 2.167 442 Q HA -0.073 4.256 4.340 -0.018 0.000 0.202 442 Q C 1.734 177.733 176.000 -0.002 0.000 0.970 442 Q CA 2.302 58.103 55.803 -0.003 0.000 0.855 442 Q CB -0.183 28.555 28.738 -0.002 0.000 0.911 442 Q HN 0.378 nan 8.270 nan 0.000 0.438 443 T N -0.504 114.049 114.554 -0.003 0.000 2.777 443 T HA -0.098 4.241 4.350 -0.018 0.000 0.266 443 T C 1.776 176.475 174.700 -0.002 0.000 1.040 443 T CA 1.330 63.429 62.100 -0.002 0.000 1.141 443 T CB -0.363 68.504 68.868 -0.001 0.000 0.868 443 T HN 0.094 nan 8.240 nan 0.000 0.444 444 V N 1.498 121.410 119.914 -0.004 0.000 2.287 444 V HA -0.173 3.936 4.120 -0.018 0.000 0.248 444 V C 2.385 178.476 176.094 -0.005 0.000 1.053 444 V CA 1.544 63.841 62.300 -0.005 0.000 1.027 444 V CB -0.653 31.165 31.823 -0.008 0.000 0.646 444 V HN 0.484 nan 8.190 nan 0.000 0.447 445 I N 0.106 120.674 120.570 -0.004 0.000 2.179 445 I HA -0.240 3.919 4.170 -0.018 0.000 0.242 445 I C 2.226 178.342 176.117 -0.003 0.000 1.088 445 I CA 1.703 63.001 61.300 -0.004 0.000 1.357 445 I CB -0.522 37.476 38.000 -0.003 0.000 1.051 445 I HN 0.301 nan 8.210 nan 0.000 0.409 446 D N 0.561 120.960 120.400 -0.002 0.000 2.218 446 D HA -0.127 4.503 4.640 -0.018 0.000 0.204 446 D C 2.126 178.425 176.300 -0.001 0.000 0.976 446 D CA 0.986 54.985 54.000 -0.001 0.000 0.853 446 D CB -0.215 40.585 40.800 -0.000 0.000 0.939 446 D HN 0.222 nan 8.370 nan 0.000 0.481 447 R N -0.398 120.102 120.500 -0.001 0.000 2.313 447 R HA 0.125 4.454 4.340 -0.018 0.000 0.199 447 R C 0.894 177.193 176.300 -0.002 0.000 0.958 447 R CA 0.488 56.587 56.100 -0.001 0.000 1.047 447 R CB 0.191 30.491 30.300 -0.001 0.000 0.955 447 R HN 0.142 nan 8.270 nan 0.000 0.481 448 G N 1.056 109.855 108.800 -0.002 0.000 2.198 448 G HA2 -0.252 3.697 3.960 -0.018 0.000 0.257 448 G HA3 -0.252 3.697 3.960 -0.018 0.000 0.257 448 G C 0.430 175.327 174.900 -0.005 0.000 1.042 448 G CA -0.020 45.078 45.100 -0.003 0.000 0.791 448 G HN 0.318 nan 8.290 nan 0.000 0.502 449 L N -0.223 120.997 121.223 -0.006 0.000 2.591 449 L HA 0.276 4.605 4.340 -0.018 0.000 0.228 449 L C 1.111 177.976 176.870 -0.009 0.000 1.133 449 L CA -0.260 54.575 54.840 -0.008 0.000 0.880 449 L CB -0.010 42.043 42.059 -0.010 0.000 1.033 449 L HN 0.204 nan 8.230 nan 0.000 0.450 450 I N 0.920 121.485 120.570 -0.008 0.000 2.452 450 I HA 0.331 4.490 4.170 -0.018 0.000 0.287 450 I C 0.843 176.956 176.117 -0.008 0.000 1.079 450 I CA 0.490 61.786 61.300 -0.008 0.000 1.387 450 I CB 0.110 38.106 38.000 -0.007 0.000 1.404 450 I HN 0.092 nan 8.210 nan 0.000 0.522 451 G N 3.658 112.453 108.800 -0.009 0.000 2.529 451 G HA2 0.302 4.251 3.960 -0.018 0.000 0.238 451 G HA3 0.302 4.251 3.960 -0.018 0.000 0.238 451 G C 0.267 175.162 174.900 -0.009 0.000 1.207 451 G CA 0.261 45.356 45.100 -0.008 0.000 0.928 451 G HN 0.371 nan 8.290 nan 0.000 0.495 452 D N -0.644 119.751 120.400 -0.009 0.000 2.219 452 D HA 0.238 4.868 4.640 -0.018 0.000 0.205 452 D C 2.124 178.418 176.300 -0.011 0.000 0.970 452 D CA 2.690 56.685 54.000 -0.009 0.000 0.851 452 D CB -0.448 40.347 40.800 -0.008 0.000 0.943 452 D HN 0.929 nan 8.370 nan 0.000 0.488 453 K N -1.053 119.339 120.400 -0.013 0.000 2.426 453 K HA 0.617 4.927 4.320 -0.018 0.000 0.193 453 K C 0.588 177.177 176.600 -0.019 0.000 1.028 453 K CA 0.565 56.842 56.287 -0.017 0.000 1.047 453 K CB 0.220 32.708 32.500 -0.020 0.000 0.821 453 K HN 0.601 nan 8.250 nan 0.000 0.513 454 L N 0.725 121.938 121.223 -0.016 0.000 2.753 454 L HA 0.296 4.625 4.340 -0.018 0.000 0.259 454 L C -0.323 176.539 176.870 -0.012 0.000 0.958 454 L CA -0.457 54.374 54.840 -0.016 0.000 0.955 454 L CB 1.633 43.681 42.059 -0.018 0.000 1.317 454 L HN 0.200 nan 8.230 nan 0.000 0.436 455 S N 3.624 119.317 115.700 -0.011 0.000 2.632 455 S HA 0.443 4.902 4.470 -0.018 0.000 0.267 455 S C 1.314 175.908 174.600 -0.009 0.000 1.276 455 S CA -0.686 57.509 58.200 -0.009 0.000 0.998 455 S CB 1.010 64.206 63.200 -0.008 0.000 0.953 455 S HN 0.691 nan 8.310 nan 0.000 0.547 456 L N 0.960 122.178 121.223 -0.007 0.000 2.046 456 L HA -0.075 4.255 4.340 -0.018 0.000 0.208 456 L C 3.433 180.299 176.870 -0.007 0.000 1.077 456 L CA 2.116 56.952 54.840 -0.007 0.000 0.747 456 L CB -1.457 40.599 42.059 -0.005 0.000 0.896 456 L HN 1.021 nan 8.230 nan 0.000 0.432 457 E N 0.375 120.571 120.200 -0.006 0.000 2.097 457 E HA -0.334 4.005 4.350 -0.018 0.000 0.196 457 E C 1.928 178.524 176.600 -0.007 0.000 1.000 457 E CA 1.729 58.125 56.400 -0.006 0.000 0.804 457 E CB -0.685 29.012 29.700 -0.006 0.000 0.740 457 E HN 0.539 nan 8.360 nan 0.000 0.454 458 E N -0.283 119.912 120.200 -0.009 0.000 2.072 458 E HA -0.068 4.271 4.350 -0.018 0.000 0.191 458 E C 1.980 178.573 176.600 -0.011 0.000 0.985 458 E CA 1.041 57.435 56.400 -0.011 0.000 0.801 458 E CB -0.370 29.323 29.700 -0.012 0.000 0.750 458 E HN 0.427 nan 8.360 nan 0.000 0.452 459 L N 0.997 122.213 121.223 -0.011 0.000 2.042 459 L HA -0.182 4.147 4.340 -0.018 0.000 0.210 459 L C 1.408 178.272 176.870 -0.010 0.000 1.076 459 L CA 2.196 57.029 54.840 -0.011 0.000 0.749 459 L CB -0.652 41.400 42.059 -0.010 0.000 0.893 459 L HN 0.105 nan 8.230 nan 0.000 0.432 460 D N -1.131 119.264 120.400 -0.009 0.000 2.224 460 D HA -0.150 4.479 4.640 -0.018 0.000 0.205 460 D C 2.264 178.560 176.300 -0.007 0.000 0.965 460 D CA 0.785 54.780 54.000 -0.008 0.000 0.852 460 D CB -0.089 40.707 40.800 -0.006 0.000 0.947 460 D HN 0.364 nan 8.370 nan 0.000 0.494 461 R N 0.793 121.288 120.500 -0.008 0.000 2.066 461 R HA -0.010 4.320 4.340 -0.018 0.000 0.232 461 R C 2.144 178.439 176.300 -0.008 0.000 1.131 461 R CA 0.938 57.034 56.100 -0.007 0.000 0.955 461 R CB 0.128 30.424 30.300 -0.008 0.000 0.851 461 R HN 0.041 nan 8.270 nan 0.000 0.432 462 R N -0.042 120.451 120.500 -0.010 0.000 2.115 462 R HA -0.030 4.300 4.340 -0.018 0.000 0.230 462 R C 1.415 177.709 176.300 -0.010 0.000 1.111 462 R CA 0.926 57.019 56.100 -0.012 0.000 0.976 462 R CB -0.003 30.288 30.300 -0.015 0.000 0.870 462 R HN 0.270 nan 8.270 nan 0.000 0.445 463 L N 0.925 122.142 121.223 -0.010 0.000 2.928 463 L HA 0.150 4.479 4.340 -0.018 0.000 0.246 463 L C -0.008 176.857 176.870 -0.009 0.000 1.239 463 L CA -0.400 54.434 54.840 -0.009 0.000 1.035 463 L CB 0.207 42.260 42.059 -0.010 0.000 1.360 463 L HN -0.030 nan 8.230 nan 0.000 0.529 464 D N 1.358 121.753 120.400 -0.008 0.000 2.398 464 D HA 0.020 4.650 4.640 -0.018 0.000 0.250 464 D C 1.383 177.679 176.300 -0.007 0.000 1.287 464 D CA 0.004 54.000 54.000 -0.007 0.000 0.992 464 D CB 1.239 42.036 40.800 -0.005 0.000 1.071 464 D HN 0.138 nan 8.370 nan 0.000 0.514 465 V N 2.716 122.625 119.914 -0.009 0.000 2.515 465 V HA -0.169 3.940 4.120 -0.018 0.000 0.250 465 V C 2.196 178.286 176.094 -0.007 0.000 1.058 465 V CA 0.759 63.053 62.300 -0.010 0.000 1.064 465 V CB -0.776 31.038 31.823 -0.015 0.000 0.675 465 V HN 0.424 nan 8.190 nan 0.000 0.461 466 L N 1.734 122.954 121.223 -0.006 0.000 2.056 466 L HA 0.142 4.471 4.340 -0.018 0.000 0.207 466 L C 2.627 179.498 176.870 0.001 0.000 1.078 466 L CA 2.236 57.075 54.840 -0.002 0.000 0.749 466 L CB -1.111 40.948 42.059 -0.000 0.000 0.901 466 L HN 0.290 nan 8.230 nan 0.000 0.433 467 A N -0.649 122.171 122.820 -0.000 0.000 1.933 467 A HA -0.221 4.088 4.320 -0.018 0.000 0.218 467 A C 2.250 179.834 177.584 0.000 0.000 1.175 467 A CA 2.009 54.046 52.037 0.000 0.000 0.628 467 A CB -0.588 18.411 19.000 -0.001 0.000 0.814 467 A HN 0.551 nan 8.150 nan 0.000 0.444 468 M N -0.494 119.105 119.600 -0.001 0.000 2.213 468 M HA -0.143 4.326 4.480 -0.018 0.000 0.263 468 M C 2.331 178.631 176.300 0.001 0.000 1.062 468 M CA 1.299 56.599 55.300 -0.000 0.000 1.105 468 M CB -0.390 32.209 32.600 -0.002 0.000 1.385 468 M HN 0.462 nan 8.290 nan 0.000 0.417 469 A N 0.275 123.096 122.820 0.001 0.000 2.172 469 A HA -0.090 4.220 4.320 -0.018 0.000 0.216 469 A C 0.951 178.538 177.584 0.005 0.000 1.154 469 A CA 0.684 52.723 52.037 0.003 0.000 0.701 469 A CB -0.471 18.532 19.000 0.006 0.000 0.789 469 A HN 0.544 nan 8.150 nan 0.000 0.465 470 K N -0.736 119.667 120.400 0.004 0.000 3.148 470 K HA -0.128 4.181 4.320 -0.018 0.000 0.267 470 K C -0.492 176.112 176.600 0.006 0.000 0.996 470 K CA 0.433 56.722 56.287 0.004 0.000 0.737 470 K CB -2.209 30.293 32.500 0.003 0.000 1.308 470 K HN 0.267 nan 8.250 nan 0.000 0.470 471 V N 1.174 121.093 119.914 0.009 0.000 2.509 471 V HA 0.016 4.126 4.120 -0.018 0.000 0.297 471 V C 1.529 177.628 176.094 0.009 0.000 1.014 471 V CA 1.228 63.534 62.300 0.011 0.000 1.127 471 V CB 0.070 31.902 31.823 0.016 0.000 0.925 471 V HN 0.524 nan 8.190 nan 0.000 0.480 472 E N 0.000 120.205 120.200 0.008 0.000 2.725 472 E HA 0.000 4.339 4.350 -0.018 0.000 0.291 472 E CA 0.000 56.404 56.400 0.006 0.000 0.976 472 E CB 0.000 29.703 29.700 0.005 0.000 0.812 472 E HN 0.000 nan 8.360 nan 0.000 0.440