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 2wjv_1_B DATA FIRST_RESID 116 DATA SEQUENCE KDLPIHACSY CGIHDPACVV YCNTSKKWFC NGRGNTSGSH IVNHLVRAKC DATA SEQUENCE KEVTLHKDGP LGETVLECYN CGCRNVFLLG FIPAKADSVV VLLCRQPCAS DATA SEQUENCE QSSLKXXXWD SSQWQPLIQD RCFLSWLVKI PSEQEQLRAR QITAQQINKL DATA SEQUENCE EELWKENPSA TLEDLXXXXX XXEPQHVLLR YEDAYQYQNI FGPLVKLEAD DATA SEQUENCE YDKKLKESQT QDNITVRWXX XXXXKRIAYF TLPXXXXXXX LMQGDEICLR DATA SEQUENCE YKGDLAPLWK GIGHVIKVPX XXXDEIAIEL RSSVGAPVEV THNFQVDFVW DATA SEQUENCE KSTSFDRMQS ALKTFAVDET SVSGYIYHKL LGHEVEDVII KCQLPKRFTA DATA SEQUENCE QGLPDLNHSQ VYAVKTVLQR PLSLIQGPPG TGKTVTSATI VYHLARQGNG DATA SEQUENCE PVLVCAPSNI AVDQLTEKIH QTGLKVVRLC AKSREAIDSP VSFLALHNQI DATA SEQUENCE RNMDSMPELQ KLQQLKDETG ELSSADEKRY RALKRTAERE LLMNADVICC DATA SEQUENCE TCVGAGDPRL AKMQFRSILI DESTQATEPE CMVPVVLGAK QLILVGDHCQ DATA SEQUENCE LGPVVMCKKA AKAGLSQSLF ERLVVLGIRP IRLQVQYRMH PALSAFPSNI DATA SEQUENCE FYEGSLQNGV TAADRVKKGF DFQWPQPDKP MFFYVTQGQE EIXXXGTSYL DATA SEQUENCE NRTEAANVEK ITTKLLKAGA KPDQIGIITP YEGQRSYLVQ YMQFSGSLHT DATA SEQUENCE KLYQEVEIAS VDAFQGREKD FIILSCVRAN EHQGIGFLND PRRLNVALTR DATA SEQUENCE ARYGVIIVGN PKALSKQPLW NHLLNYYKEQ KVLVEGPLNN LRESLMQF 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 116 K HA 0.000 nan 4.320 nan 0.000 0.191 116 K C 0.000 176.587 176.600 -0.022 0.000 0.988 116 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 116 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 117 D N 0.754 121.133 120.400 -0.035 0.000 2.466 117 D HA 0.394 5.063 4.640 0.049 0.000 0.262 117 D C -0.127 176.130 176.300 -0.072 0.000 1.177 117 D CA -0.388 53.592 54.000 -0.034 0.000 1.035 117 D CB 0.693 41.474 40.800 -0.032 0.000 1.105 117 D HN 0.205 nan 8.370 nan 0.000 0.551 118 L N 1.480 122.667 121.223 -0.059 0.000 2.426 118 L HA 0.284 4.653 4.340 0.049 0.000 0.271 118 L C -1.802 174.941 176.870 -0.212 0.000 1.169 118 L CA -1.413 53.355 54.840 -0.120 0.000 0.836 118 L CB 0.332 42.376 42.059 -0.024 0.000 1.112 118 L HN 0.305 nan 8.230 nan 0.000 0.465 119 P HA 0.135 nan 4.420 nan 0.000 0.273 119 P C 0.911 177.992 177.300 -0.365 0.000 1.250 119 P CA -0.374 62.474 63.100 -0.420 0.000 0.793 119 P CB 0.720 31.970 31.700 -0.750 0.000 1.011 120 I N 0.364 120.790 120.570 -0.240 0.000 2.248 120 I HA -0.257 3.942 4.170 0.049 0.000 0.248 120 I C 1.902 177.857 176.117 -0.269 0.000 1.107 120 I CA 1.432 62.651 61.300 -0.135 0.000 1.373 120 I CB -0.537 37.460 38.000 -0.004 0.000 1.055 120 I HN 0.505 nan 8.210 nan 0.000 0.418 121 H N -0.007 118.722 119.070 -0.569 0.000 2.555 121 H HA 0.435 5.020 4.556 0.049 0.000 0.283 121 H C 0.584 175.538 175.328 -0.624 0.000 1.037 121 H CA 0.016 55.340 56.048 -1.205 0.000 1.169 121 H CB -0.655 28.147 29.762 -1.601 0.000 1.375 121 H HN 0.220 nan 8.280 nan 0.000 0.582 122 A N 1.408 123.942 122.820 -0.476 0.000 2.425 122 A HA 0.162 4.511 4.320 0.049 0.000 0.249 122 A C 0.474 177.981 177.584 -0.130 0.000 1.084 122 A CA -0.259 51.635 52.037 -0.238 0.000 0.781 122 A CB -0.160 18.746 19.000 -0.156 0.000 1.019 122 A HN 0.703 nan 8.150 nan 0.000 0.490 123 C N 2.914 122.176 119.300 -0.064 0.000 2.592 123 C HA 0.163 4.652 4.460 0.049 0.000 0.408 123 C C 1.795 176.677 174.990 -0.179 0.000 1.436 123 C CA 0.421 59.390 59.018 -0.082 0.000 1.595 123 C CB -1.293 26.497 27.740 0.083 0.000 2.487 123 C HN 0.861 nan 8.230 nan 0.000 0.610 124 S N 3.383 118.789 115.700 -0.490 0.000 2.474 124 S HA -0.059 4.440 4.470 0.049 0.000 0.235 124 S C 1.157 175.790 174.600 0.054 0.000 0.997 124 S CA 1.305 59.300 58.200 -0.342 0.000 0.949 124 S CB -0.158 62.619 63.200 -0.705 0.000 0.766 124 S HN 0.943 nan 8.310 nan 0.000 0.517 125 Y N -0.149 120.172 120.300 0.036 0.000 2.205 125 Y HA -0.059 4.520 4.550 0.049 0.000 0.292 125 Y C 2.805 178.638 175.900 -0.111 0.000 1.119 125 Y CA 0.791 58.873 58.100 -0.030 0.000 1.117 125 Y CB -0.132 38.189 38.460 -0.231 0.000 1.037 125 Y HN 0.505 nan 8.280 nan 0.000 0.510 126 C N -1.836 117.520 119.300 0.095 0.000 3.230 126 C HA 0.690 5.179 4.460 0.049 0.000 0.300 126 C C 1.810 176.790 174.990 -0.016 0.000 1.292 126 C CA 0.099 59.140 59.018 0.038 0.000 1.707 126 C CB 0.236 28.115 27.740 0.233 0.000 2.181 126 C HN 0.800 nan 8.230 nan 0.000 0.655 127 G N 1.709 110.514 108.800 0.008 0.000 2.179 127 G HA2 -0.209 3.780 3.960 0.049 0.000 0.260 127 G HA3 -0.209 3.780 3.960 0.049 0.000 0.260 127 G C -0.017 174.906 174.900 0.038 0.000 0.977 127 G CA 0.281 45.396 45.100 0.025 0.000 0.641 127 G HN 0.687 nan 8.290 nan 0.000 0.533 128 I N 2.320 122.896 120.570 0.012 0.000 2.775 128 I HA 0.065 4.265 4.170 0.049 0.000 0.290 128 I C 1.550 177.620 176.117 -0.078 0.000 1.203 128 I CA 1.308 62.557 61.300 -0.084 0.000 1.433 128 I CB 0.259 38.241 38.000 -0.030 0.000 1.354 128 I HN 0.542 nan 8.210 nan 0.000 0.579 129 H N 2.859 121.880 119.070 -0.081 0.000 2.750 129 H HA 0.200 4.786 4.556 0.049 0.000 0.252 129 H C -0.224 175.087 175.328 -0.028 0.000 1.176 129 H CA -0.629 55.329 56.048 -0.150 0.000 0.987 129 H CB 0.112 29.652 29.762 -0.369 0.000 1.810 129 H HN 0.483 nan 8.280 nan 0.000 0.630 130 D N 3.535 123.914 120.400 -0.035 0.000 2.389 130 D HA 0.035 4.704 4.640 0.049 0.000 0.263 130 D C -1.393 174.884 176.300 -0.039 0.000 1.255 130 D CA -2.006 51.991 54.000 -0.005 0.000 0.914 130 D CB 1.699 42.474 40.800 -0.041 0.000 1.116 130 D HN 0.127 nan 8.370 nan 0.000 0.502 131 P HA -0.198 nan 4.420 nan 0.000 0.218 131 P C 0.857 178.112 177.300 -0.074 0.000 1.152 131 P CA 1.791 64.709 63.100 -0.305 0.000 0.857 131 P CB 0.138 31.719 31.700 -0.199 0.000 0.787 132 A N -1.969 120.843 122.820 -0.013 0.000 2.172 132 A HA -0.135 4.214 4.320 0.049 0.000 0.216 132 A C 1.868 179.473 177.584 0.036 0.000 1.154 132 A CA 1.372 53.426 52.037 0.029 0.000 0.701 132 A CB -1.286 17.731 19.000 0.028 0.000 0.789 132 A HN 0.280 nan 8.150 nan 0.000 0.465 133 C N -1.071 118.242 119.300 0.022 0.000 3.183 133 C HA 0.405 4.894 4.460 0.049 0.000 0.285 133 C C 0.707 175.732 174.990 0.059 0.000 1.313 133 C CA -0.011 59.026 59.018 0.032 0.000 1.711 133 C CB -1.102 26.648 27.740 0.016 0.000 2.135 133 C HN 0.463 nan 8.230 nan 0.000 0.651 134 V N -0.933 119.039 119.914 0.096 0.000 2.667 134 V HA 0.905 5.054 4.120 0.049 0.000 0.308 134 V C -0.772 175.546 176.094 0.373 0.000 1.048 134 V CA -0.417 62.017 62.300 0.223 0.000 0.928 134 V CB 1.673 33.606 31.823 0.183 0.000 1.004 134 V HN -0.101 nan 8.190 nan 0.000 0.444 135 V N 3.969 124.108 119.914 0.376 0.000 2.577 135 V HA 0.358 4.508 4.120 0.049 0.000 0.303 135 V C -1.198 174.913 176.094 0.028 0.000 1.042 135 V CA -0.539 61.842 62.300 0.134 0.000 0.872 135 V CB 1.762 33.453 31.823 -0.219 0.000 0.998 135 V HN 0.925 nan 8.190 nan 0.000 0.423 136 Y N 4.882 124.858 120.300 -0.539 0.000 2.365 136 Y HA 0.432 5.011 4.550 0.049 0.000 0.340 136 Y C 0.408 176.056 175.900 -0.420 0.000 1.016 136 Y CA -0.487 57.011 58.100 -1.004 0.000 1.196 136 Y CB 0.960 38.477 38.460 -1.573 0.000 1.167 136 Y HN 0.779 nan 8.280 nan 0.000 0.509 137 C N 7.629 126.554 119.300 -0.625 0.000 2.566 137 C HA 0.205 4.695 4.460 0.049 0.000 0.393 137 C C 1.262 175.845 174.990 -0.680 0.000 1.309 137 C CA -0.283 58.498 59.018 -0.395 0.000 1.801 137 C CB -1.393 26.305 27.740 -0.069 0.000 2.493 137 C HN 1.088 nan 8.230 nan 0.000 0.575 138 N N 2.450 120.930 118.700 -0.368 0.000 2.216 138 N HA -0.098 4.672 4.740 0.049 0.000 0.183 138 N C 1.586 176.985 175.510 -0.186 0.000 1.017 138 N CA 1.507 54.396 53.050 -0.268 0.000 0.861 138 N CB 0.039 38.487 38.487 -0.066 0.000 0.986 138 N HN 0.754 nan 8.380 nan 0.000 0.428 139 T N 0.073 114.555 114.554 -0.120 0.000 2.701 139 T HA -0.053 4.326 4.350 0.049 0.000 0.263 139 T C 2.018 176.674 174.700 -0.073 0.000 1.040 139 T CA 1.082 63.145 62.100 -0.062 0.000 1.147 139 T CB -0.231 68.625 68.868 -0.020 0.000 0.865 139 T HN 0.120 nan 8.240 nan 0.000 0.426 140 S N 0.768 116.430 115.700 -0.064 0.000 2.481 140 S HA 0.055 4.555 4.470 0.049 0.000 0.231 140 S C 0.685 175.189 174.600 -0.160 0.000 0.996 140 S CA 0.292 58.476 58.200 -0.027 0.000 0.942 140 S CB -0.202 63.108 63.200 0.182 0.000 0.768 140 S HN 0.470 nan 8.310 nan 0.000 0.520 141 K N 0.579 120.781 120.400 -0.329 0.000 3.150 141 K HA -0.168 4.181 4.320 0.049 0.000 0.267 141 K C -0.728 175.729 176.600 -0.238 0.000 1.028 141 K CA 0.715 56.815 56.287 -0.312 0.000 0.753 141 K CB -1.184 31.299 32.500 -0.028 0.000 1.288 141 K HN 0.401 nan 8.250 nan 0.000 0.473 142 K N -0.616 119.507 120.400 -0.461 0.000 2.536 142 K HA 0.485 4.834 4.320 0.049 0.000 0.269 142 K C -1.108 175.217 176.600 -0.459 0.000 0.965 142 K CA -0.869 55.208 56.287 -0.350 0.000 0.860 142 K CB 1.214 33.419 32.500 -0.492 0.000 1.423 142 K HN 0.040 nan 8.250 nan 0.000 0.438 143 W N 1.054 122.094 121.300 -0.433 0.000 2.570 143 W HA 0.577 5.267 4.660 0.049 0.000 0.337 143 W C -0.708 175.297 176.519 -0.856 0.000 1.067 143 W CA -0.290 56.863 57.345 -0.319 0.000 1.229 143 W CB 0.870 30.277 29.460 -0.087 0.000 1.355 143 W HN 0.283 nan 8.180 nan 0.000 0.555 144 F N 1.903 121.924 119.950 0.119 0.000 2.581 144 F HA 0.385 4.941 4.527 0.049 0.000 0.311 144 F C 0.427 176.288 175.800 0.101 0.000 1.113 144 F CA -1.387 56.618 58.000 0.007 0.000 0.935 144 F CB 0.651 39.572 39.000 -0.132 0.000 1.232 144 F HN 0.465 nan 8.300 nan 0.000 0.445 145 C N 0.683 120.162 119.300 0.297 0.000 2.553 145 C HA 0.366 4.856 4.460 0.049 0.000 0.345 145 C C 0.840 175.924 174.990 0.158 0.000 1.369 145 C CA -0.522 58.613 59.018 0.195 0.000 2.447 145 C CB 0.899 28.732 27.740 0.155 0.000 2.358 145 C HN 1.000 nan 8.230 nan 0.000 0.676 146 N N -0.097 118.644 118.700 0.069 0.000 2.458 146 N HA 0.263 5.032 4.740 0.049 0.000 0.274 146 N C 0.143 175.653 175.510 0.001 0.000 1.242 146 N CA -0.022 53.057 53.050 0.049 0.000 0.904 146 N CB 0.008 38.517 38.487 0.037 0.000 1.206 146 N HN 0.980 nan 8.380 nan 0.000 0.510 147 G N 0.102 108.852 108.800 -0.084 0.000 2.400 147 G HA2 0.262 4.251 3.960 0.049 0.000 0.333 147 G HA3 0.262 4.251 3.960 0.049 0.000 0.333 147 G C 0.617 175.306 174.900 -0.352 0.000 1.143 147 G CA -0.451 44.549 45.100 -0.167 0.000 0.914 147 G HN 0.269 nan 8.290 nan 0.000 0.480 148 R N 0.806 121.187 120.500 -0.198 0.000 2.119 148 R HA 0.157 4.526 4.340 0.049 0.000 0.222 148 R C 2.083 178.289 176.300 -0.156 0.000 1.088 148 R CA 0.975 56.989 56.100 -0.143 0.000 0.984 148 R CB -0.259 30.023 30.300 -0.031 0.000 0.884 148 R HN 0.918 nan 8.270 nan 0.000 0.447 149 G N 1.534 110.256 108.800 -0.130 0.000 2.591 149 G HA2 -0.370 3.619 3.960 0.049 0.000 0.298 149 G HA3 -0.370 3.619 3.960 0.049 0.000 0.298 149 G C 0.286 175.224 174.900 0.063 0.000 1.195 149 G CA 0.442 45.557 45.100 0.026 0.000 0.989 149 G HN 0.380 nan 8.290 nan 0.000 0.551 150 N N 2.101 120.867 118.700 0.110 0.000 2.322 150 N HA 0.140 4.909 4.740 0.049 0.000 0.194 150 N C 1.141 176.687 175.510 0.060 0.000 1.126 150 N CA 1.324 54.414 53.050 0.067 0.000 0.845 150 N CB 0.339 38.859 38.487 0.055 0.000 0.976 150 N HN 0.989 nan 8.380 nan 0.000 0.475 151 T N -2.293 112.314 114.554 0.088 0.000 2.910 151 T HA 0.272 4.651 4.350 0.049 0.000 0.279 151 T C 1.225 175.957 174.700 0.054 0.000 0.989 151 T CA -0.630 61.514 62.100 0.072 0.000 0.968 151 T CB 1.435 70.371 68.868 0.113 0.000 1.135 151 T HN -0.001 nan 8.240 nan 0.000 0.562 152 S N -1.407 114.321 115.700 0.047 0.000 2.605 152 S HA 0.502 5.001 4.470 0.049 0.000 0.217 152 S C 0.761 175.389 174.600 0.047 0.000 0.958 152 S CA -0.197 58.026 58.200 0.038 0.000 0.919 152 S CB -0.595 62.622 63.200 0.028 0.000 0.780 152 S HN 1.336 nan 8.310 nan 0.000 0.507 153 G N 0.812 109.652 108.800 0.067 0.000 2.646 153 G HA2 0.493 4.482 3.960 0.049 0.000 0.291 153 G HA3 0.493 4.482 3.960 0.049 0.000 0.291 153 G C -0.682 174.280 174.900 0.103 0.000 1.445 153 G CA -0.307 44.840 45.100 0.078 0.000 0.814 153 G HN 0.480 nan 8.290 nan 0.000 0.495 154 S N -0.877 114.885 115.700 0.102 0.000 2.580 154 S HA 0.117 4.617 4.470 0.049 0.000 0.266 154 S C 1.010 175.753 174.600 0.239 0.000 1.354 154 S CA 0.426 58.684 58.200 0.097 0.000 1.008 154 S CB 0.503 63.778 63.200 0.125 0.000 0.898 154 S HN 0.693 nan 8.310 nan 0.000 0.555 155 H N 0.761 119.972 119.070 0.235 0.000 2.389 155 H HA -0.052 4.533 4.556 0.049 0.000 0.299 155 H C 1.716 177.203 175.328 0.265 0.000 1.081 155 H CA 1.489 57.756 56.048 0.365 0.000 1.345 155 H CB -0.268 29.773 29.762 0.464 0.000 1.393 155 H HN 0.596 nan 8.280 nan 0.000 0.520 156 I N 0.088 120.834 120.570 0.292 0.000 2.226 156 I HA -0.197 4.002 4.170 0.049 0.000 0.245 156 I C 2.312 178.528 176.117 0.165 0.000 1.100 156 I CA 0.802 62.176 61.300 0.122 0.000 1.374 156 I CB -0.959 37.056 38.000 0.025 0.000 1.057 156 I HN 0.024 nan 8.210 nan 0.000 0.413 157 V N 1.324 121.389 119.914 0.252 0.000 2.343 157 V HA -0.240 3.909 4.120 0.049 0.000 0.247 157 V C 2.471 178.677 176.094 0.187 0.000 1.051 157 V CA 1.871 64.304 62.300 0.220 0.000 1.036 157 V CB -0.985 30.950 31.823 0.186 0.000 0.654 157 V HN 0.482 nan 8.190 nan 0.000 0.451 158 N N -0.073 118.758 118.700 0.218 0.000 2.060 158 N HA -0.267 4.503 4.740 0.049 0.000 0.195 158 N C 1.909 177.525 175.510 0.177 0.000 1.028 158 N CA 2.369 55.545 53.050 0.209 0.000 0.861 158 N CB -0.337 38.331 38.487 0.302 0.000 1.029 158 N HN 0.710 nan 8.380 nan 0.000 0.428 159 H N 0.843 119.925 119.070 0.020 0.000 2.326 159 H HA 0.107 4.692 4.556 0.049 0.000 0.301 159 H C 2.265 177.541 175.328 -0.087 0.000 1.081 159 H CA 1.234 57.173 56.048 -0.181 0.000 1.334 159 H CB -0.390 28.767 29.762 -1.008 0.000 1.385 159 H HN 0.082 nan 8.280 nan 0.000 0.504 160 L N -0.479 120.682 121.223 -0.104 0.000 2.079 160 L HA -0.171 4.198 4.340 0.049 0.000 0.210 160 L C 2.517 179.435 176.870 0.079 0.000 1.081 160 L CA 1.046 55.887 54.840 0.002 0.000 0.752 160 L CB -0.449 41.725 42.059 0.191 0.000 0.896 160 L HN 0.211 nan 8.230 nan 0.000 0.433 161 V N -0.286 119.692 119.914 0.106 0.000 2.307 161 V HA -0.251 3.898 4.120 0.049 0.000 0.245 161 V C 2.627 178.696 176.094 -0.042 0.000 1.045 161 V CA 1.768 64.093 62.300 0.041 0.000 1.024 161 V CB -0.547 31.311 31.823 0.059 0.000 0.651 161 V HN 0.397 nan 8.190 nan 0.000 0.449 162 R N 0.063 120.531 120.500 -0.053 0.000 2.062 162 R HA 0.025 4.395 4.340 0.049 0.000 0.229 162 R C 2.300 178.542 176.300 -0.096 0.000 1.128 162 R CA 1.367 57.431 56.100 -0.060 0.000 0.960 162 R CB -0.535 29.752 30.300 -0.023 0.000 0.855 162 R HN 0.492 nan 8.270 nan 0.000 0.432 163 A N 1.060 123.751 122.820 -0.214 0.000 2.167 163 A HA -0.034 4.316 4.320 0.049 0.000 0.214 163 A C 0.230 177.722 177.584 -0.152 0.000 1.151 163 A CA 0.344 52.247 52.037 -0.225 0.000 0.735 163 A CB -0.089 18.581 19.000 -0.550 0.000 0.802 163 A HN 0.287 nan 8.150 nan 0.000 0.467 164 K N -1.207 119.115 120.400 -0.130 0.000 3.244 164 K HA -0.172 4.177 4.320 0.049 0.000 0.270 164 K C -0.648 175.930 176.600 -0.037 0.000 1.016 164 K CA 0.500 56.742 56.287 -0.076 0.000 0.754 164 K CB -2.782 29.674 32.500 -0.074 0.000 1.326 164 K HN 0.568 nan 8.250 nan 0.000 0.465 165 C N -0.077 119.210 119.300 -0.022 0.000 2.358 165 C HA 0.376 4.865 4.460 0.049 0.000 0.354 165 C C 1.514 176.606 174.990 0.171 0.000 1.183 165 C CA -0.677 58.362 59.018 0.034 0.000 2.150 165 C CB 1.444 29.178 27.740 -0.010 0.000 2.361 165 C HN 0.520 nan 8.230 nan 0.000 0.535 166 K N -0.357 120.129 120.400 0.145 0.000 2.521 166 K HA 0.153 4.502 4.320 0.049 0.000 0.213 166 K C -0.309 176.336 176.600 0.075 0.000 1.223 166 K CA 0.173 56.575 56.287 0.192 0.000 1.013 166 K CB 0.607 33.248 32.500 0.234 0.000 1.017 166 K HN 0.641 nan 8.250 nan 0.000 0.591 167 E N 2.170 122.397 120.200 0.046 0.000 2.155 167 E HA 0.261 4.640 4.350 0.049 0.000 0.264 167 E C -0.956 175.642 176.600 -0.003 0.000 0.886 167 E CA -0.709 55.704 56.400 0.022 0.000 0.752 167 E CB 2.204 31.913 29.700 0.014 0.000 1.133 167 E HN -0.031 nan 8.360 nan 0.000 0.414 168 V N -0.014 119.908 119.914 0.013 0.000 3.001 168 V HA 0.767 4.916 4.120 0.049 0.000 0.314 168 V C -0.442 175.658 176.094 0.011 0.000 1.099 168 V CA -0.460 61.830 62.300 -0.015 0.000 0.989 168 V CB 2.238 34.052 31.823 -0.015 0.000 1.040 168 V HN 0.512 nan 8.190 nan 0.000 0.434 169 T N 3.662 118.219 114.554 0.005 0.000 2.893 169 T HA 0.648 5.027 4.350 0.049 0.000 0.293 169 T C -0.351 174.381 174.700 0.053 0.000 1.027 169 T CA -0.477 61.648 62.100 0.041 0.000 0.988 169 T CB 1.515 70.421 68.868 0.064 0.000 1.043 169 T HN 0.738 nan 8.240 nan 0.000 0.461 170 L N 1.279 122.562 121.223 0.101 0.000 2.469 170 L HA 0.489 4.858 4.340 0.049 0.000 0.253 170 L C 0.176 177.216 176.870 0.284 0.000 1.143 170 L CA -0.920 54.031 54.840 0.185 0.000 0.804 170 L CB 0.455 42.597 42.059 0.137 0.000 1.214 170 L HN 0.687 nan 8.230 nan 0.000 0.476 171 H N -0.287 118.922 119.070 0.231 0.000 2.473 171 H HA 0.116 4.701 4.556 0.049 0.000 0.327 171 H C 0.636 175.985 175.328 0.036 0.000 1.105 171 H CA -0.202 55.955 56.048 0.181 0.000 1.280 171 H CB 1.382 31.140 29.762 -0.006 0.000 1.450 171 H HN 0.453 nan 8.280 nan 0.000 0.492 172 K N 2.261 122.360 120.400 -0.501 0.000 2.052 172 K HA -0.212 4.137 4.320 0.049 0.000 0.215 172 K C 0.458 176.975 176.600 -0.137 0.000 1.053 172 K CA 2.363 58.469 56.287 -0.302 0.000 0.934 172 K CB 0.026 32.300 32.500 -0.377 0.000 0.717 172 K HN 0.699 nan 8.250 nan 0.000 0.450 173 D N 0.151 120.502 120.400 -0.081 0.000 2.349 173 D HA 0.045 4.714 4.640 0.049 0.000 0.224 173 D C 0.751 177.103 176.300 0.088 0.000 1.029 173 D CA 0.575 54.604 54.000 0.049 0.000 0.879 173 D CB 0.007 40.850 40.800 0.072 0.000 0.906 173 D HN 0.393 nan 8.370 nan 0.000 0.528 174 G N 1.439 110.311 108.800 0.120 0.000 2.516 174 G HA2 0.226 4.215 3.960 0.049 0.000 0.276 174 G HA3 0.226 4.215 3.960 0.049 0.000 0.276 174 G C -1.306 173.632 174.900 0.063 0.000 1.390 174 G CA -0.602 44.553 45.100 0.091 0.000 1.050 174 G HN -0.019 nan 8.290 nan 0.000 0.519 175 P HA 0.020 nan 4.420 nan 0.000 0.215 175 P C 1.855 179.193 177.300 0.063 0.000 1.160 175 P CA 0.268 63.404 63.100 0.059 0.000 0.869 175 P CB 0.112 31.852 31.700 0.066 0.000 0.782 176 L N -1.118 120.153 121.223 0.080 0.000 2.622 176 L HA 0.235 4.604 4.340 0.049 0.000 0.233 176 L C 1.013 177.922 176.870 0.066 0.000 1.156 176 L CA 1.044 55.934 54.840 0.084 0.000 0.866 176 L CB -1.241 40.884 42.059 0.110 0.000 0.980 176 L HN 0.194 nan 8.230 nan 0.000 0.448 177 G N -0.037 108.793 108.800 0.051 0.000 2.750 177 G HA2 -0.358 3.631 3.960 0.049 0.000 0.228 177 G HA3 -0.358 3.631 3.960 0.049 0.000 0.228 177 G C -0.079 174.837 174.900 0.026 0.000 1.367 177 G CA -0.005 45.110 45.100 0.024 0.000 0.871 177 G HN 0.320 nan 8.290 nan 0.000 0.560 178 E N 0.926 121.122 120.200 -0.007 0.000 1.791 178 E HA 0.419 4.798 4.350 0.049 0.000 0.263 178 E C 0.142 176.756 176.600 0.023 0.000 1.213 178 E CA 0.394 56.792 56.400 -0.003 0.000 0.991 178 E CB -0.477 29.194 29.700 -0.048 0.000 1.068 178 E HN 0.561 nan 8.360 nan 0.000 0.417 179 T N 1.765 116.349 114.554 0.050 0.000 2.792 179 T HA 0.270 4.649 4.350 0.049 0.000 0.280 179 T C 0.023 174.758 174.700 0.059 0.000 0.990 179 T CA -0.831 61.303 62.100 0.056 0.000 0.960 179 T CB 1.540 70.454 68.868 0.076 0.000 0.939 179 T HN 0.060 nan 8.240 nan 0.000 0.439 180 V N 4.454 124.396 119.914 0.047 0.000 2.585 180 V HA 0.091 4.240 4.120 0.049 0.000 0.296 180 V C 0.582 176.706 176.094 0.051 0.000 1.035 180 V CA -0.352 61.975 62.300 0.045 0.000 1.084 180 V CB 0.120 31.964 31.823 0.034 0.000 0.953 180 V HN 0.734 nan 8.190 nan 0.000 0.483 181 L N 6.663 127.918 121.223 0.054 0.000 2.361 181 L HA 0.463 4.832 4.340 0.049 0.000 0.278 181 L C 0.324 177.209 176.870 0.024 0.000 1.113 181 L CA 0.215 55.084 54.840 0.049 0.000 0.849 181 L CB 0.228 42.330 42.059 0.072 0.000 1.155 181 L HN 0.881 nan 8.230 nan 0.000 0.452 182 E N 2.275 122.484 120.200 0.016 0.000 2.390 182 E HA 0.184 4.564 4.350 0.049 0.000 0.280 182 E C -1.265 175.342 176.600 0.011 0.000 0.992 182 E CA -1.043 55.362 56.400 0.009 0.000 0.790 182 E CB 1.364 31.072 29.700 0.013 0.000 1.248 182 E HN 0.444 nan 8.360 nan 0.000 0.447 183 C N 3.795 123.099 119.300 0.006 0.000 2.648 183 C HA 0.039 4.528 4.460 0.049 0.000 0.406 183 C C 1.474 176.493 174.990 0.047 0.000 1.406 183 C CA -0.172 58.860 59.018 0.023 0.000 1.610 183 C CB -1.782 25.967 27.740 0.015 0.000 2.451 183 C HN 0.855 nan 8.230 nan 0.000 0.608 184 Y N 4.770 125.040 120.300 -0.050 0.000 2.132 184 Y HA -0.258 4.321 4.550 0.049 0.000 0.280 184 Y C 2.327 178.199 175.900 -0.046 0.000 1.193 184 Y CA 2.720 60.794 58.100 -0.045 0.000 1.157 184 Y CB -0.314 38.104 38.460 -0.070 0.000 0.966 184 Y HN 0.885 nan 8.280 nan 0.000 0.511 185 N N -0.982 117.733 118.700 0.025 0.000 2.220 185 N HA -0.138 4.631 4.740 0.049 0.000 0.182 185 N C 1.557 177.026 175.510 -0.069 0.000 1.023 185 N CA 1.702 54.731 53.050 -0.035 0.000 0.856 185 N CB -0.185 38.308 38.487 0.011 0.000 0.997 185 N HN 0.496 nan 8.380 nan 0.000 0.429 186 C N -1.837 117.437 119.300 -0.043 0.000 3.491 186 C HA 0.640 5.129 4.460 0.049 0.000 0.298 186 C C 1.416 176.384 174.990 -0.037 0.000 1.424 186 C CA 0.248 59.242 59.018 -0.040 0.000 1.772 186 C CB -0.202 27.523 27.740 -0.024 0.000 2.447 186 C HN 0.515 nan 8.230 nan 0.000 0.670 187 G N 0.650 109.426 108.800 -0.040 0.000 2.179 187 G HA2 -0.325 3.664 3.960 0.049 0.000 0.260 187 G HA3 -0.325 3.664 3.960 0.049 0.000 0.260 187 G C 0.365 175.257 174.900 -0.012 0.000 0.977 187 G CA 0.378 45.459 45.100 -0.031 0.000 0.641 187 G HN 1.374 nan 8.290 nan 0.000 0.533 188 C N 1.344 120.640 119.300 -0.007 0.000 2.634 188 C HA 0.548 5.037 4.460 0.049 0.000 0.418 188 C C 1.849 176.844 174.990 0.008 0.000 1.373 188 C CA 0.403 59.423 59.018 0.003 0.000 1.756 188 C CB -0.311 27.433 27.740 0.007 0.000 2.589 188 C HN 0.518 nan 8.230 nan 0.000 0.602 189 R N 2.814 123.322 120.500 0.014 0.000 2.393 189 R HA 0.117 4.486 4.340 0.049 0.000 0.244 189 R C 0.236 176.550 176.300 0.023 0.000 0.920 189 R CA -0.241 55.868 56.100 0.016 0.000 1.076 189 R CB -0.211 30.100 30.300 0.018 0.000 1.119 189 R HN 0.671 nan 8.270 nan 0.000 0.524 190 N N 1.766 120.487 118.700 0.035 0.000 2.421 190 N HA -0.039 4.730 4.740 0.049 0.000 0.260 190 N C 1.361 176.888 175.510 0.028 0.000 1.173 190 N CA -0.037 53.054 53.050 0.068 0.000 0.960 190 N CB 1.087 39.632 38.487 0.096 0.000 1.273 190 N HN -0.002 nan 8.380 nan 0.000 0.497 191 V N 2.100 121.974 119.914 -0.066 0.000 2.546 191 V HA -0.226 3.923 4.120 0.049 0.000 0.254 191 V C 1.550 177.452 176.094 -0.319 0.000 1.076 191 V CA 1.439 63.590 62.300 -0.247 0.000 1.087 191 V CB -1.235 30.364 31.823 -0.373 0.000 0.674 191 V HN 0.414 nan 8.190 nan 0.000 0.470 192 F N 0.206 120.127 119.950 -0.049 0.000 2.502 192 F HA 0.210 4.766 4.527 0.049 0.000 0.298 192 F C 1.983 177.804 175.800 0.035 0.000 1.111 192 F CA 1.074 59.057 58.000 -0.030 0.000 1.445 192 F CB -0.296 38.691 39.000 -0.023 0.000 1.081 192 F HN 0.141 nan 8.300 nan 0.000 0.558 193 L N -0.675 120.657 121.223 0.182 0.000 2.554 193 L HA 0.171 4.541 4.340 0.049 0.000 0.225 193 L C 0.444 177.468 176.870 0.258 0.000 1.104 193 L CA 0.016 54.962 54.840 0.177 0.000 0.866 193 L CB -0.081 42.039 42.059 0.100 0.000 1.047 193 L HN -0.004 nan 8.230 nan 0.000 0.468 194 L N 0.003 121.304 121.223 0.131 0.000 2.375 194 L HA 0.650 5.019 4.340 0.049 0.000 0.271 194 L C 0.367 177.181 176.870 -0.093 0.000 1.107 194 L CA -0.302 54.568 54.840 0.048 0.000 0.806 194 L CB 1.325 43.309 42.059 -0.125 0.000 1.146 194 L HN -0.009 nan 8.230 nan 0.000 0.447 195 G N 1.026 109.685 108.800 -0.236 0.000 2.576 195 G HA2 0.503 4.492 3.960 0.049 0.000 0.290 195 G HA3 0.503 4.492 3.960 0.049 0.000 0.290 195 G C -1.745 172.756 174.900 -0.666 0.000 1.442 195 G CA -0.626 43.947 45.100 -0.878 0.000 0.792 195 G HN 0.214 nan 8.290 nan 0.000 0.491 196 F N -0.049 119.665 119.950 -0.393 0.000 2.379 196 F HA 0.672 5.228 4.527 0.049 0.000 0.332 196 F C 0.679 176.476 175.800 -0.005 0.000 1.096 196 F CA -0.453 57.499 58.000 -0.080 0.000 1.105 196 F CB 1.854 40.911 39.000 0.096 0.000 1.189 196 F HN 0.454 nan 8.300 nan 0.000 0.515 197 I N 1.367 122.138 120.570 0.335 0.000 2.608 197 I HA 0.697 4.896 4.170 0.049 0.000 0.295 197 I C -3.007 173.354 176.117 0.407 0.000 1.049 197 I CA -2.644 58.863 61.300 0.346 0.000 1.063 197 I CB 1.842 40.045 38.000 0.337 0.000 1.248 197 I HN 0.146 nan 8.210 nan 0.000 0.424 198 P HA 0.485 nan 4.420 nan 0.000 0.287 198 P C -0.783 176.709 177.300 0.320 0.000 1.279 198 P CA -0.535 62.750 63.100 0.309 0.000 0.867 198 P CB 1.588 33.365 31.700 0.128 0.000 1.127 199 A N 2.343 125.154 122.820 -0.015 0.000 2.425 199 A HA 0.155 4.504 4.320 0.049 0.000 0.242 199 A C 0.262 177.691 177.584 -0.259 0.000 1.077 199 A CA -0.244 51.461 52.037 -0.553 0.000 0.781 199 A CB -0.393 18.038 19.000 -0.948 0.000 1.020 199 A HN 0.440 nan 8.150 nan 0.000 0.494 200 K N 1.087 121.318 120.400 -0.283 0.000 2.336 200 K HA 0.369 4.718 4.320 0.049 0.000 0.290 200 K C 0.852 177.351 176.600 -0.169 0.000 1.067 200 K CA 0.886 57.082 56.287 -0.151 0.000 0.962 200 K CB 0.137 32.571 32.500 -0.109 0.000 1.008 200 K HN 1.381 nan 8.250 nan 0.000 0.467 201 A N 2.307 125.055 122.820 -0.120 0.000 3.891 201 A HA -0.180 4.170 4.320 0.049 0.000 0.247 201 A C 0.286 177.799 177.584 -0.118 0.000 0.892 201 A CA 1.122 53.096 52.037 -0.104 0.000 1.522 201 A CB -1.223 17.721 19.000 -0.094 0.000 0.963 201 A HN 0.693 nan 8.150 nan 0.000 0.773 202 D N -0.247 120.054 120.400 -0.164 0.000 2.272 202 D HA 0.605 5.275 4.640 0.049 0.000 0.247 202 D C -0.202 176.012 176.300 -0.143 0.000 0.990 202 D CA 0.149 54.056 54.000 -0.153 0.000 0.931 202 D CB 1.791 42.478 40.800 -0.187 0.000 1.195 202 D HN 0.088 nan 8.370 nan 0.000 0.477 203 S N 1.022 116.655 115.700 -0.111 0.000 3.965 203 S HA 0.298 4.797 4.470 0.049 0.000 0.195 203 S C -0.175 174.375 174.600 -0.083 0.000 1.449 203 S CA -0.523 57.617 58.200 -0.099 0.000 0.965 203 S CB -0.250 62.894 63.200 -0.094 0.000 1.459 203 S HN 0.188 nan 8.310 nan 0.000 0.476 204 V N 1.168 121.038 119.914 -0.073 0.000 3.001 204 V HA 0.653 4.802 4.120 0.049 0.000 0.314 204 V C -0.299 175.877 176.094 0.136 0.000 1.099 204 V CA -0.754 61.552 62.300 0.009 0.000 0.989 204 V CB 2.267 34.093 31.823 0.004 0.000 1.040 204 V HN 0.171 nan 8.190 nan 0.000 0.434 205 V N 2.337 122.375 119.914 0.207 0.000 2.733 205 V HA 0.618 4.767 4.120 0.049 0.000 0.306 205 V C -0.936 175.356 176.094 0.330 0.000 1.084 205 V CA -0.453 62.011 62.300 0.274 0.000 0.905 205 V CB 2.253 34.095 31.823 0.032 0.000 1.010 205 V HN 0.671 nan 8.190 nan 0.000 0.424 206 V N 6.595 126.695 119.914 0.311 0.000 2.769 206 V HA 0.668 4.817 4.120 0.049 0.000 0.312 206 V C -1.097 175.073 176.094 0.126 0.000 1.061 206 V CA -0.756 61.568 62.300 0.040 0.000 0.931 206 V CB 2.066 33.588 31.823 -0.502 0.000 1.010 206 V HN 0.721 nan 8.190 nan 0.000 0.433 207 L N 6.827 128.052 121.223 0.002 0.000 2.264 207 L HA 0.657 5.027 4.340 0.049 0.000 0.289 207 L C -0.716 176.117 176.870 -0.061 0.000 1.044 207 L CA 0.260 54.977 54.840 -0.204 0.000 0.807 207 L CB 0.708 42.617 42.059 -0.250 0.000 1.192 207 L HN 0.585 nan 8.230 nan 0.000 0.425 208 L N 3.590 124.800 121.223 -0.022 0.000 2.424 208 L HA 0.522 4.892 4.340 0.049 0.000 0.258 208 L C -0.539 176.423 176.870 0.154 0.000 0.995 208 L CA -1.019 53.861 54.840 0.067 0.000 0.821 208 L CB 2.067 44.170 42.059 0.073 0.000 1.383 208 L HN 0.535 nan 8.230 nan 0.000 0.410 209 C N -0.126 119.229 119.300 0.091 0.000 2.657 209 C HA 0.226 4.716 4.460 0.049 0.000 0.404 209 C C 1.773 176.782 174.990 0.030 0.000 1.291 209 C CA -0.638 58.433 59.018 0.089 0.000 2.218 209 C CB 0.459 28.212 27.740 0.022 0.000 2.687 209 C HN 0.936 nan 8.230 nan 0.000 0.634 210 R N 0.729 121.172 120.500 -0.095 0.000 2.081 210 R HA -0.061 4.309 4.340 0.049 0.000 0.235 210 R C 0.527 176.614 176.300 -0.355 0.000 1.131 210 R CA 1.774 57.532 56.100 -0.570 0.000 0.960 210 R CB -0.115 29.686 30.300 -0.831 0.000 0.856 210 R HN 0.902 nan 8.270 nan 0.000 0.436 211 Q N -1.503 118.178 119.800 -0.197 0.000 2.359 211 Q HA 0.297 4.666 4.340 0.049 0.000 0.274 211 Q C -2.058 173.896 176.000 -0.077 0.000 1.074 211 Q CA -1.735 53.988 55.803 -0.133 0.000 0.810 211 Q CB 2.803 31.468 28.738 -0.123 0.000 1.342 211 Q HN 0.058 nan 8.270 nan 0.000 0.427 212 P HA -0.005 nan 4.420 nan 0.000 0.235 212 P C 0.502 177.768 177.300 -0.056 0.000 1.177 212 P CA 0.462 63.527 63.100 -0.058 0.000 0.785 212 P CB 0.339 32.015 31.700 -0.039 0.000 0.885 213 C N 0.872 120.144 119.300 -0.047 0.000 2.436 213 C HA -0.002 4.487 4.460 0.049 0.000 0.277 213 C C 3.136 178.103 174.990 -0.039 0.000 1.241 213 C CA 1.153 60.151 59.018 -0.033 0.000 1.721 213 C CB -1.682 26.048 27.740 -0.017 0.000 2.043 213 C HN 0.276 nan 8.230 nan 0.000 0.472 214 A N 0.774 123.559 122.820 -0.059 0.000 1.902 214 A HA -0.037 4.312 4.320 0.049 0.000 0.217 214 A C 1.560 179.096 177.584 -0.080 0.000 1.181 214 A CA 1.456 53.452 52.037 -0.069 0.000 0.623 214 A CB -1.132 17.738 19.000 -0.217 0.000 0.818 214 A HN 0.699 nan 8.150 nan 0.000 0.443 215 S N -0.427 115.205 115.700 -0.113 0.000 2.536 215 S HA -0.139 4.360 4.470 0.049 0.000 0.294 215 S C 1.043 175.621 174.600 -0.037 0.000 1.289 215 S CA 0.666 58.814 58.200 -0.086 0.000 1.035 215 S CB 0.250 63.403 63.200 -0.078 0.000 0.783 215 S HN 0.502 nan 8.310 nan 0.000 0.497 216 Q N 2.364 122.148 119.800 -0.027 0.000 2.224 216 Q HA -0.079 4.290 4.340 0.049 0.000 0.203 216 Q C 2.533 178.536 176.000 0.005 0.000 0.970 216 Q CA 1.723 57.526 55.803 -0.000 0.000 0.865 216 Q CB -0.927 27.812 28.738 0.001 0.000 0.922 216 Q HN 1.007 nan 8.270 nan 0.000 0.445 217 S N 0.341 116.037 115.700 -0.005 0.000 2.515 217 S HA -0.028 4.472 4.470 0.049 0.000 0.231 217 S C 1.037 175.640 174.600 0.006 0.000 0.987 217 S CA 0.415 58.615 58.200 -0.000 0.000 0.936 217 S CB -0.124 63.072 63.200 -0.008 0.000 0.766 217 S HN 0.225 nan 8.310 nan 0.000 0.528 218 S N 1.163 116.866 115.700 0.005 0.000 2.328 218 S HA 0.666 5.165 4.470 0.049 0.000 0.204 218 S C -0.813 173.806 174.600 0.033 0.000 1.475 218 S CA -0.784 57.425 58.200 0.014 0.000 1.148 218 S CB 0.387 63.588 63.200 0.000 0.000 1.077 218 S HN 0.499 nan 8.310 nan 0.000 0.479 219 L N 2.397 123.651 121.223 0.052 0.000 2.457 219 L HA 0.680 5.049 4.340 0.049 0.000 0.266 219 L C -1.078 175.852 176.870 0.100 0.000 0.979 219 L CA -0.033 54.858 54.840 0.086 0.000 0.857 219 L CB 1.012 43.118 42.059 0.078 0.000 1.213 219 L HN 0.535 nan 8.230 nan 0.000 0.418 225 D N 1.533 122.098 120.400 0.276 0.000 2.500 225 D HA 0.119 4.788 4.640 0.049 0.000 0.219 225 D C 1.206 177.635 176.300 0.216 0.000 1.137 225 D CA 0.359 54.471 54.000 0.187 0.000 0.946 225 D CB 1.319 42.194 40.800 0.124 0.000 1.022 225 D HN 0.325 nan 8.370 nan 0.000 0.518 226 S N 2.015 117.834 115.700 0.198 0.000 2.419 226 S HA -0.192 4.307 4.470 0.049 0.000 0.233 226 S C 1.983 176.686 174.600 0.172 0.000 1.016 226 S CA 1.810 60.119 58.200 0.181 0.000 0.974 226 S CB -0.010 63.258 63.200 0.114 0.000 0.786 226 S HN 0.502 nan 8.310 nan 0.000 0.492 227 S N 0.306 116.089 115.700 0.139 0.000 2.442 227 S HA -0.027 4.472 4.470 0.049 0.000 0.236 227 S C 1.104 175.804 174.600 0.166 0.000 1.007 227 S CA 0.523 58.799 58.200 0.126 0.000 0.965 227 S CB -0.470 62.784 63.200 0.091 0.000 0.773 227 S HN 0.730 nan 8.310 nan 0.000 0.504 228 Q N 0.480 120.397 119.800 0.195 0.000 2.735 228 Q HA 0.233 4.602 4.340 0.049 0.000 0.380 228 Q C -1.297 174.871 176.000 0.280 0.000 1.060 228 Q CA -0.539 55.386 55.803 0.202 0.000 1.025 228 Q CB -0.005 28.825 28.738 0.153 0.000 1.350 228 Q HN 0.654 nan 8.270 nan 0.000 0.424 229 W N 2.143 123.507 121.300 0.108 0.000 2.304 229 W HA 0.065 4.755 4.660 0.049 0.000 0.313 229 W C -0.087 176.511 176.519 0.132 0.000 1.323 229 W CA 0.130 57.543 57.345 0.114 0.000 1.223 229 W CB 0.792 30.293 29.460 0.069 0.000 1.237 229 W HN 0.127 nan 8.180 nan 0.000 0.535 230 Q N 8.682 128.306 119.800 -0.294 0.000 2.394 230 Q HA 0.284 4.653 4.340 0.049 0.000 0.259 230 Q C -2.181 173.343 176.000 -0.794 0.000 1.021 230 Q CA -2.097 53.540 55.803 -0.276 0.000 0.805 230 Q CB 1.496 30.309 28.738 0.125 0.000 1.226 230 Q HN 0.268 nan 8.270 nan 0.000 0.476 231 P HA -0.044 nan 4.420 nan 0.000 0.269 231 P C 0.802 177.749 177.300 -0.589 0.000 1.215 231 P CA -0.366 62.123 63.100 -1.018 0.000 0.780 231 P CB 1.029 32.426 31.700 -0.504 0.000 0.898 232 L N 2.468 123.354 121.223 -0.563 0.000 2.131 232 L HA 0.025 4.394 4.340 0.049 0.000 0.210 232 L C 1.049 177.565 176.870 -0.590 0.000 1.092 232 L CA 1.497 56.020 54.840 -0.529 0.000 0.759 232 L CB -0.555 41.181 42.059 -0.540 0.000 0.903 232 L HN 0.303 nan 8.230 nan 0.000 0.435 233 I N 0.442 120.697 120.570 -0.526 0.000 2.337 233 I HA 0.227 4.426 4.170 0.049 0.000 0.285 233 I C -0.410 175.561 176.117 -0.243 0.000 1.041 233 I CA -0.325 60.707 61.300 -0.447 0.000 1.199 233 I CB 0.927 38.676 38.000 -0.418 0.000 1.370 233 I HN 0.108 nan 8.210 nan 0.000 0.470 234 Q N 5.742 125.422 119.800 -0.200 0.000 2.333 234 Q HA 0.238 4.607 4.340 0.049 0.000 0.267 234 Q C -0.484 175.479 176.000 -0.062 0.000 1.012 234 Q CA -0.306 55.427 55.803 -0.117 0.000 0.824 234 Q CB 1.179 29.840 28.738 -0.129 0.000 1.290 234 Q HN 0.453 nan 8.270 nan 0.000 0.449 235 D N 4.588 124.974 120.400 -0.024 0.000 2.704 235 D HA -0.256 4.414 4.640 0.049 0.000 0.232 235 D C -0.523 175.780 176.300 0.004 0.000 1.183 235 D CA 1.207 55.207 54.000 -0.000 0.000 0.647 235 D CB -0.254 40.551 40.800 0.008 0.000 1.013 235 D HN 0.904 nan 8.370 nan 0.000 0.415 236 R N -4.037 116.465 120.500 0.003 0.000 3.953 236 R HA -0.248 4.122 4.340 0.049 0.000 0.340 236 R C -0.011 176.313 176.300 0.040 0.000 1.195 236 R CA 1.430 57.545 56.100 0.026 0.000 0.929 236 R CB -2.779 27.546 30.300 0.041 0.000 1.402 236 R HN 0.435 nan 8.270 nan 0.000 0.540 237 C N -0.710 118.600 119.300 0.017 0.000 2.913 237 C HA 0.651 5.140 4.460 0.049 0.000 0.322 237 C C 0.444 175.452 174.990 0.029 0.000 1.292 237 C CA -1.061 58.001 59.018 0.072 0.000 1.649 237 C CB 0.920 28.694 27.740 0.057 0.000 2.139 237 C HN 0.166 nan 8.230 nan 0.000 0.475 238 F N 1.488 121.389 119.950 -0.081 0.000 2.529 238 F HA 0.268 4.824 4.527 0.049 0.000 0.365 238 F C 0.923 176.619 175.800 -0.174 0.000 1.102 238 F CA -0.159 57.764 58.000 -0.127 0.000 1.271 238 F CB 0.288 39.235 39.000 -0.089 0.000 1.120 238 F HN 0.312 nan 8.300 nan 0.000 0.579 239 L N 3.585 124.698 121.223 -0.182 0.000 2.747 239 L HA -0.201 4.168 4.340 0.049 0.000 0.286 239 L C 1.606 178.290 176.870 -0.311 0.000 1.216 239 L CA 0.260 54.842 54.840 -0.430 0.000 0.930 239 L CB 0.263 41.814 42.059 -0.846 0.000 1.216 239 L HN 0.930 nan 8.230 nan 0.000 0.486 240 S N 3.835 119.401 115.700 -0.223 0.000 2.419 240 S HA -0.171 4.329 4.470 0.049 0.000 0.235 240 S C 1.357 175.989 174.600 0.055 0.000 1.019 240 S CA 0.986 59.170 58.200 -0.027 0.000 0.982 240 S CB -0.248 62.990 63.200 0.063 0.000 0.789 240 S HN 0.816 nan 8.310 nan 0.000 0.490 241 W N 0.087 121.401 121.300 0.023 0.000 2.800 241 W HA 0.409 5.098 4.660 0.049 0.000 0.249 241 W C 1.433 177.960 176.519 0.013 0.000 1.294 241 W CA -0.550 56.790 57.345 -0.009 0.000 1.402 241 W CB -0.914 28.504 29.460 -0.070 0.000 1.126 241 W HN 0.325 nan 8.180 nan 0.000 0.652 242 L N 0.638 121.902 121.223 0.069 0.000 2.286 242 L HA 0.215 4.585 4.340 0.049 0.000 0.203 242 L C 0.434 177.370 176.870 0.109 0.000 1.068 242 L CA 1.158 56.072 54.840 0.124 0.000 0.811 242 L CB -0.203 41.941 42.059 0.143 0.000 0.989 242 L HN -0.299 nan 8.230 nan 0.000 0.467 243 V N 0.995 120.955 119.914 0.077 0.000 2.447 243 V HA 0.286 4.435 4.120 0.049 0.000 0.292 243 V C -0.209 175.918 176.094 0.055 0.000 1.021 243 V CA -1.332 61.004 62.300 0.060 0.000 0.850 243 V CB 1.321 33.155 31.823 0.018 0.000 1.005 243 V HN 0.060 nan 8.190 nan 0.000 0.426 244 K N 4.266 124.699 120.400 0.056 0.000 2.527 244 K HA 0.273 4.622 4.320 0.049 0.000 0.278 244 K C -0.370 176.251 176.600 0.036 0.000 0.981 244 K CA 0.198 56.515 56.287 0.050 0.000 1.009 244 K CB 0.884 33.409 32.500 0.041 0.000 0.895 244 K HN 0.542 nan 8.250 nan 0.000 0.493 245 I N 5.181 125.771 120.570 0.034 0.000 2.325 245 I HA 0.121 4.320 4.170 0.049 0.000 0.291 245 I C -1.953 174.170 176.117 0.010 0.000 1.019 245 I CA -2.438 58.874 61.300 0.020 0.000 1.302 245 I CB 0.837 38.850 38.000 0.021 0.000 1.401 245 I HN 0.271 nan 8.210 nan 0.000 0.485 246 P HA -0.008 nan 4.420 nan 0.000 0.262 246 P C -0.045 177.252 177.300 -0.007 0.000 1.182 246 P CA -0.104 62.989 63.100 -0.010 0.000 0.761 246 P CB 0.331 32.019 31.700 -0.020 0.000 0.795 247 S N 1.419 117.117 115.700 -0.005 0.000 2.572 247 S HA -0.041 4.459 4.470 0.049 0.000 0.267 247 S C 1.261 175.862 174.600 0.002 0.000 1.361 247 S CA -0.277 57.923 58.200 0.001 0.000 1.009 247 S CB 0.520 63.721 63.200 0.002 0.000 0.888 247 S HN 0.574 nan 8.310 nan 0.000 0.553 248 E N 0.208 120.412 120.200 0.006 0.000 2.077 248 E HA -0.186 4.194 4.350 0.049 0.000 0.193 248 E C 1.948 178.560 176.600 0.021 0.000 0.989 248 E CA 1.073 57.479 56.400 0.009 0.000 0.800 248 E CB -0.120 29.582 29.700 0.004 0.000 0.746 248 E HN 0.648 nan 8.360 nan 0.000 0.452 249 Q N 0.469 120.282 119.800 0.022 0.000 2.135 249 Q HA -0.189 4.180 4.340 0.049 0.000 0.204 249 Q C 1.902 177.924 176.000 0.037 0.000 0.981 249 Q CA 1.251 57.081 55.803 0.046 0.000 0.856 249 Q CB -0.185 28.578 28.738 0.043 0.000 0.902 249 Q HN 0.446 nan 8.270 nan 0.000 0.425 250 E N 0.422 120.624 120.200 0.003 0.000 2.077 250 E HA -0.193 4.186 4.350 0.049 0.000 0.193 250 E C 2.128 178.725 176.600 -0.006 0.000 0.989 250 E CA 0.916 57.300 56.400 -0.026 0.000 0.800 250 E CB -0.002 29.673 29.700 -0.043 0.000 0.746 250 E HN 0.446 nan 8.360 nan 0.000 0.452 251 Q N 0.319 120.129 119.800 0.018 0.000 2.083 251 Q HA -0.083 4.286 4.340 0.049 0.000 0.198 251 Q C 2.361 178.411 176.000 0.083 0.000 0.969 251 Q CA 0.789 56.617 55.803 0.041 0.000 0.838 251 Q CB -0.051 28.701 28.738 0.024 0.000 0.900 251 Q HN 0.310 nan 8.270 nan 0.000 0.436 252 L N 0.294 121.581 121.223 0.107 0.000 2.265 252 L HA -0.156 4.213 4.340 0.049 0.000 0.215 252 L C 2.449 179.485 176.870 0.277 0.000 1.117 252 L CA 0.757 55.722 54.840 0.209 0.000 0.782 252 L CB -0.248 41.952 42.059 0.235 0.000 0.914 252 L HN 0.141 nan 8.230 nan 0.000 0.441 253 R N -0.023 120.535 120.500 0.097 0.000 2.173 253 R HA 0.177 4.547 4.340 0.049 0.000 0.208 253 R C 1.049 177.347 176.300 -0.004 0.000 1.035 253 R CA 0.531 56.547 56.100 -0.140 0.000 1.004 253 R CB 0.014 30.131 30.300 -0.304 0.000 0.917 253 R HN 0.261 nan 8.270 nan 0.000 0.462 254 A N 1.166 124.031 122.820 0.076 0.000 2.262 254 A HA 0.161 4.511 4.320 0.049 0.000 0.273 254 A C 0.201 177.888 177.584 0.172 0.000 1.202 254 A CA -0.303 51.808 52.037 0.123 0.000 0.811 254 A CB 0.185 19.239 19.000 0.091 0.000 1.159 254 A HN 0.179 nan 8.150 nan 0.000 0.505 255 R N 0.025 120.540 120.500 0.025 0.000 2.442 255 R HA 0.093 4.462 4.340 0.049 0.000 0.291 255 R C -0.684 175.633 176.300 0.028 0.000 1.069 255 R CA -0.116 55.928 56.100 -0.093 0.000 1.022 255 R CB 0.290 30.269 30.300 -0.535 0.000 0.976 255 R HN 0.632 nan 8.270 nan 0.000 0.443 256 Q N 4.709 124.552 119.800 0.073 0.000 3.006 256 Q HA 0.133 4.502 4.340 0.049 0.000 0.260 256 Q C 0.036 176.058 176.000 0.036 0.000 1.356 256 Q CA -0.094 55.758 55.803 0.082 0.000 1.070 256 Q CB 0.199 29.000 28.738 0.104 0.000 1.507 256 Q HN 0.582 nan 8.270 nan 0.000 0.568 257 I N 1.655 122.227 120.570 0.004 0.000 2.638 257 I HA 0.068 4.267 4.170 0.049 0.000 0.286 257 I C 0.372 176.458 176.117 -0.051 0.000 1.088 257 I CA 0.119 61.382 61.300 -0.062 0.000 1.397 257 I CB 1.023 38.932 38.000 -0.152 0.000 1.414 257 I HN 0.323 nan 8.210 nan 0.000 0.566 258 T N 3.556 118.064 114.554 -0.077 0.000 2.888 258 T HA 0.531 4.910 4.350 0.049 0.000 0.284 258 T C 0.984 175.619 174.700 -0.109 0.000 1.017 258 T CA -0.212 61.851 62.100 -0.061 0.000 1.022 258 T CB 1.803 70.647 68.868 -0.039 0.000 1.013 258 T HN 0.730 nan 8.240 nan 0.000 0.465 259 A N 1.633 124.404 122.820 -0.082 0.000 1.909 259 A HA -0.260 4.090 4.320 0.049 0.000 0.221 259 A C 2.331 179.845 177.584 -0.117 0.000 1.223 259 A CA 2.289 54.267 52.037 -0.099 0.000 0.658 259 A CB -1.355 17.616 19.000 -0.049 0.000 0.831 259 A HN 0.935 nan 8.150 nan 0.000 0.462 260 Q N -1.000 118.749 119.800 -0.086 0.000 2.133 260 Q HA -0.298 4.071 4.340 0.049 0.000 0.208 260 Q C 2.286 178.220 176.000 -0.110 0.000 0.991 260 Q CA 2.422 58.176 55.803 -0.082 0.000 0.867 260 Q CB -0.185 28.518 28.738 -0.058 0.000 0.911 260 Q HN 0.895 nan 8.270 nan 0.000 0.417 261 Q N -0.589 119.132 119.800 -0.132 0.000 2.163 261 Q HA -0.009 4.360 4.340 0.049 0.000 0.198 261 Q C 2.186 178.039 176.000 -0.244 0.000 0.954 261 Q CA 0.593 56.302 55.803 -0.157 0.000 0.851 261 Q CB 0.099 28.758 28.738 -0.132 0.000 0.928 261 Q HN 0.388 nan 8.270 nan 0.000 0.459 262 I N 1.374 121.746 120.570 -0.330 0.000 2.163 262 I HA -0.302 3.897 4.170 0.049 0.000 0.243 262 I C 2.323 178.242 176.117 -0.329 0.000 1.085 262 I CA 0.808 61.807 61.300 -0.502 0.000 1.347 262 I CB -0.369 37.225 38.000 -0.677 0.000 1.044 262 I HN 0.315 nan 8.210 nan 0.000 0.408 263 N N 1.307 119.874 118.700 -0.221 0.000 2.061 263 N HA -0.221 4.548 4.740 0.049 0.000 0.193 263 N C 1.802 177.220 175.510 -0.153 0.000 1.030 263 N CA 1.725 54.687 53.050 -0.148 0.000 0.856 263 N CB -0.011 38.413 38.487 -0.105 0.000 1.023 263 N HN 0.372 nan 8.380 nan 0.000 0.424 264 K N 0.240 120.544 120.400 -0.161 0.000 2.057 264 K HA -0.098 4.251 4.320 0.049 0.000 0.206 264 K C 2.009 178.478 176.600 -0.218 0.000 1.050 264 K CA 0.560 56.759 56.287 -0.147 0.000 0.935 264 K CB -0.240 32.191 32.500 -0.114 0.000 0.715 264 K HN 0.045 nan 8.250 nan 0.000 0.439 265 L N 1.917 122.946 121.223 -0.322 0.000 2.042 265 L HA -0.200 4.169 4.340 0.049 0.000 0.210 265 L C 2.115 178.477 176.870 -0.847 0.000 1.076 265 L CA 1.884 56.385 54.840 -0.564 0.000 0.749 265 L CB -0.374 41.322 42.059 -0.606 0.000 0.893 265 L HN 0.094 nan 8.230 nan 0.000 0.432 266 E N -0.385 119.483 120.200 -0.552 0.000 2.204 266 E HA -0.224 4.155 4.350 0.049 0.000 0.195 266 E C 2.096 178.656 176.600 -0.066 0.000 0.990 266 E CA 1.338 57.576 56.400 -0.270 0.000 0.821 266 E CB 0.021 29.694 29.700 -0.045 0.000 0.750 266 E HN 0.619 nan 8.360 nan 0.000 0.477 267 E N -0.874 119.265 120.200 -0.102 0.000 2.086 267 E HA -0.063 4.316 4.350 0.049 0.000 0.190 267 E C 1.672 178.280 176.600 0.013 0.000 0.975 267 E CA 0.435 56.822 56.400 -0.020 0.000 0.813 267 E CB -0.055 29.624 29.700 -0.035 0.000 0.768 267 E HN 0.166 nan 8.360 nan 0.000 0.457 268 L N 0.167 121.361 121.223 -0.048 0.000 2.353 268 L HA -0.144 4.225 4.340 0.049 0.000 0.220 268 L C 1.125 178.119 176.870 0.207 0.000 1.133 268 L CA 1.194 56.052 54.840 0.029 0.000 0.798 268 L CB -0.141 41.904 42.059 -0.024 0.000 0.922 268 L HN 0.298 nan 8.230 nan 0.000 0.445 269 W N -0.582 120.764 121.300 0.076 0.000 2.737 269 W HA 0.073 4.762 4.660 0.048 0.000 0.262 269 W C 2.204 178.764 176.519 0.069 0.000 1.282 269 W CA -0.088 57.308 57.345 0.084 0.000 1.386 269 W CB -0.600 28.935 29.460 0.125 0.000 1.099 269 W HN 0.115 nan 8.180 nan 0.000 0.621 270 K N 0.341 120.902 120.400 0.267 0.000 2.362 270 K HA -0.178 4.171 4.320 0.049 0.000 0.202 270 K C 0.853 177.528 176.600 0.126 0.000 1.045 270 K CA 1.211 57.597 56.287 0.165 0.000 0.936 270 K CB -0.019 32.545 32.500 0.107 0.000 0.747 270 K HN 0.145 nan 8.250 nan 0.000 0.467 271 E N -0.523 119.758 120.200 0.135 0.000 2.904 271 E HA 0.076 4.455 4.350 0.049 0.000 0.162 271 E C -0.987 175.678 176.600 0.108 0.000 0.909 271 E CA -0.005 56.456 56.400 0.101 0.000 1.368 271 E CB 0.597 30.340 29.700 0.071 0.000 1.007 271 E HN 0.162 nan 8.360 nan 0.000 0.451 272 N N 0.886 119.681 118.700 0.158 0.000 2.664 272 N HA 0.136 4.906 4.740 0.049 0.000 0.287 272 N C -2.441 173.178 175.510 0.181 0.000 1.869 272 N CA -0.903 52.236 53.050 0.150 0.000 0.832 272 N CB 1.445 40.022 38.487 0.151 0.000 1.293 272 N HN -0.016 nan 8.380 nan 0.000 0.498 273 P HA -0.161 nan 4.420 nan 0.000 0.218 273 P C 1.529 178.656 177.300 -0.289 0.000 1.146 273 P CA 1.293 64.288 63.100 -0.175 0.000 0.820 273 P CB 0.353 31.955 31.700 -0.163 0.000 0.778 274 S N -1.661 113.997 115.700 -0.070 0.000 2.607 274 S HA 0.146 4.645 4.470 0.049 0.000 0.224 274 S C 0.926 175.573 174.600 0.077 0.000 0.969 274 S CA 0.021 58.201 58.200 -0.033 0.000 0.927 274 S CB -0.897 62.304 63.200 0.002 0.000 0.772 274 S HN 0.090 nan 8.310 nan 0.000 0.533 275 A N 1.254 124.204 122.820 0.217 0.000 2.366 275 A HA 0.553 4.902 4.320 0.049 0.000 0.249 275 A C 0.688 178.512 177.584 0.401 0.000 1.084 275 A CA -0.070 52.146 52.037 0.299 0.000 0.794 275 A CB 0.196 19.392 19.000 0.327 0.000 1.034 275 A HN 0.574 nan 8.150 nan 0.000 0.491 276 T N -0.298 114.412 114.554 0.261 0.000 2.905 276 T HA 0.451 4.830 4.350 0.049 0.000 0.283 276 T C 0.995 175.785 174.700 0.150 0.000 1.031 276 T CA -0.445 61.796 62.100 0.235 0.000 1.002 276 T CB 0.654 69.618 68.868 0.159 0.000 1.200 276 T HN 0.471 nan 8.240 nan 0.000 0.560 277 L N 0.814 122.096 121.223 0.098 0.000 2.056 277 L HA 0.036 4.405 4.340 0.049 0.000 0.207 277 L C 2.429 179.328 176.870 0.048 0.000 1.078 277 L CA 1.798 56.657 54.840 0.031 0.000 0.749 277 L CB -1.097 40.961 42.059 -0.002 0.000 0.901 277 L HN 0.790 nan 8.230 nan 0.000 0.433 278 E N -0.498 119.748 120.200 0.076 0.000 2.339 278 E HA -0.241 4.138 4.350 0.049 0.000 0.201 278 E C 0.325 176.971 176.600 0.077 0.000 1.015 278 E CA 1.207 57.661 56.400 0.090 0.000 0.841 278 E CB -0.306 29.467 29.700 0.123 0.000 0.754 278 E HN 0.613 nan 8.360 nan 0.000 0.508 279 D N 0.210 120.656 120.400 0.075 0.000 2.538 279 D HA 0.190 4.860 4.640 0.049 0.000 0.234 279 D C -0.154 176.173 176.300 0.045 0.000 1.191 279 D CA 0.350 54.390 54.000 0.066 0.000 0.828 279 D CB 0.129 40.978 40.800 0.082 0.000 0.981 279 D HN 0.036 nan 8.370 nan 0.000 0.490 289 P HA 0.231 nan 4.420 nan 0.000 0.272 289 P C -0.786 176.500 177.300 -0.024 0.000 1.223 289 P CA -0.559 62.526 63.100 -0.025 0.000 0.784 289 P CB 0.703 32.376 31.700 -0.045 0.000 0.923 290 Q N 1.388 121.174 119.800 -0.023 0.000 2.300 290 Q HA -0.037 4.332 4.340 0.049 0.000 0.280 290 Q C -0.372 175.609 176.000 -0.033 0.000 1.033 290 Q CA 0.424 56.220 55.803 -0.012 0.000 0.903 290 Q CB -0.054 28.677 28.738 -0.010 0.000 1.195 290 Q HN 0.544 nan 8.270 nan 0.000 0.386 291 H N 2.376 121.394 119.070 -0.088 0.000 2.764 291 H HA 0.263 4.849 4.556 0.049 0.000 0.341 291 H C -0.460 174.776 175.328 -0.153 0.000 1.072 291 H CA -0.394 55.591 56.048 -0.106 0.000 1.444 291 H CB 0.630 30.347 29.762 -0.076 0.000 1.458 291 H HN 0.529 nan 8.280 nan 0.000 0.572 292 V N 6.717 126.506 119.914 -0.208 0.000 2.681 292 V HA -0.149 4.000 4.120 0.049 0.000 0.306 292 V C 0.625 176.753 176.094 0.057 0.000 1.077 292 V CA 0.732 62.919 62.300 -0.188 0.000 1.224 292 V CB -0.552 31.122 31.823 -0.247 0.000 0.879 292 V HN 0.545 nan 8.190 nan 0.000 0.494 293 L N 4.814 125.979 121.223 -0.096 0.000 2.400 293 L HA 0.429 4.798 4.340 0.049 0.000 0.264 293 L C 1.044 177.803 176.870 -0.184 0.000 1.061 293 L CA -0.699 53.980 54.840 -0.268 0.000 0.799 293 L CB 1.093 42.770 42.059 -0.636 0.000 1.240 293 L HN 0.495 nan 8.230 nan 0.000 0.461 294 L N -0.141 120.998 121.223 -0.139 0.000 2.145 294 L HA 0.144 4.514 4.340 0.049 0.000 0.201 294 L C 1.000 177.881 176.870 0.018 0.000 1.075 294 L CA 0.726 55.574 54.840 0.014 0.000 0.773 294 L CB -0.058 42.010 42.059 0.015 0.000 0.936 294 L HN 0.501 nan 8.230 nan 0.000 0.451 295 R N -1.008 119.423 120.500 -0.115 0.000 2.540 295 R HA 0.446 4.816 4.340 0.049 0.000 0.287 295 R C -1.613 174.560 176.300 -0.213 0.000 0.980 295 R CA -0.394 55.695 56.100 -0.018 0.000 0.966 295 R CB 1.197 31.517 30.300 0.033 0.000 1.106 295 R HN -0.119 nan 8.270 nan 0.000 0.480 296 Y N 0.389 120.785 120.300 0.159 0.000 2.462 296 Y HA 0.162 4.741 4.550 0.049 0.000 0.346 296 Y C 1.032 177.080 175.900 0.248 0.000 0.976 296 Y CA -0.828 57.381 58.100 0.183 0.000 1.044 296 Y CB 1.881 40.473 38.460 0.220 0.000 1.230 296 Y HN 0.550 nan 8.280 nan 0.000 0.455 297 E N 1.417 121.814 120.200 0.328 0.000 2.085 297 E HA -0.143 4.236 4.350 0.049 0.000 0.194 297 E C -0.269 176.535 176.600 0.340 0.000 0.994 297 E CA 1.868 58.432 56.400 0.274 0.000 0.801 297 E CB -0.061 29.748 29.700 0.182 0.000 0.743 297 E HN 0.907 nan 8.360 nan 0.000 0.453 298 D N -3.576 117.009 120.400 0.310 0.000 2.779 298 D HA 0.340 5.009 4.640 0.049 0.000 0.331 298 D C -0.063 176.284 176.300 0.079 0.000 1.331 298 D CA -0.035 54.111 54.000 0.244 0.000 0.866 298 D CB 0.188 41.202 40.800 0.357 0.000 1.409 298 D HN -0.110 nan 8.370 nan 0.000 0.486 299 A N -1.304 121.447 122.820 -0.116 0.000 2.167 299 A HA 0.065 4.414 4.320 0.049 0.000 0.214 299 A C 1.224 178.742 177.584 -0.110 0.000 1.151 299 A CA 0.677 52.465 52.037 -0.415 0.000 0.735 299 A CB -1.039 17.260 19.000 -1.168 0.000 0.802 299 A HN 0.525 nan 8.150 nan 0.000 0.467 300 Y N -0.520 119.809 120.300 0.048 0.000 2.263 300 Y HA -0.167 4.412 4.550 0.049 0.000 0.292 300 Y C 2.631 178.617 175.900 0.144 0.000 1.130 300 Y CA 1.771 59.930 58.100 0.098 0.000 1.179 300 Y CB -0.211 38.303 38.460 0.091 0.000 0.998 300 Y HN 0.433 nan 8.280 nan 0.000 0.532 301 Q N -0.860 119.144 119.800 0.340 0.000 2.123 301 Q HA -0.241 4.128 4.340 0.049 0.000 0.199 301 Q C 1.982 178.191 176.000 0.349 0.000 0.966 301 Q CA 1.364 57.356 55.803 0.316 0.000 0.845 301 Q CB -0.345 28.593 28.738 0.335 0.000 0.907 301 Q HN 0.619 nan 8.270 nan 0.000 0.439 302 Y N 1.222 121.613 120.300 0.152 0.000 2.165 302 Y HA -0.303 4.276 4.550 0.048 0.000 0.286 302 Y C 2.420 178.418 175.900 0.162 0.000 1.155 302 Y CA 2.342 60.420 58.100 -0.036 0.000 1.164 302 Y CB -0.057 38.273 38.460 -0.217 0.000 0.978 302 Y HN 0.213 nan 8.280 nan 0.000 0.513 303 Q N -0.144 119.829 119.800 0.289 0.000 2.079 303 Q HA -0.209 4.160 4.340 0.049 0.000 0.200 303 Q C 1.806 177.904 176.000 0.163 0.000 0.974 303 Q CA 1.531 57.468 55.803 0.223 0.000 0.840 303 Q CB -0.231 28.609 28.738 0.169 0.000 0.898 303 Q HN 0.427 nan 8.270 nan 0.000 0.430 304 N N 0.358 119.156 118.700 0.163 0.000 2.364 304 N HA -0.092 4.677 4.740 0.049 0.000 0.183 304 N C 1.571 177.126 175.510 0.075 0.000 1.022 304 N CA 0.937 54.062 53.050 0.125 0.000 0.883 304 N CB 0.033 38.603 38.487 0.138 0.000 0.965 304 N HN 0.386 nan 8.380 nan 0.000 0.438 305 I N -1.253 119.346 120.570 0.048 0.000 2.512 305 I HA -0.080 4.119 4.170 0.049 0.000 0.247 305 I C 1.420 177.428 176.117 -0.182 0.000 1.094 305 I CA 0.463 61.716 61.300 -0.078 0.000 1.427 305 I CB -0.140 37.817 38.000 -0.073 0.000 1.149 305 I HN -0.089 nan 8.210 nan 0.000 0.438 306 F N 1.109 120.981 119.950 -0.131 0.000 2.206 306 F HA -0.037 4.520 4.527 0.049 0.000 0.298 306 F C 2.533 178.309 175.800 -0.040 0.000 1.090 306 F CA 1.246 59.163 58.000 -0.138 0.000 1.323 306 F CB -0.906 37.925 39.000 -0.282 0.000 1.028 306 F HN 0.027 nan 8.300 nan 0.000 0.492 307 G N 1.058 109.957 108.800 0.165 0.000 2.553 307 G HA2 -0.266 3.723 3.960 0.049 0.000 0.218 307 G HA3 -0.266 3.723 3.960 0.049 0.000 0.218 307 G C -0.705 174.253 174.900 0.098 0.000 1.195 307 G CA 1.015 46.194 45.100 0.131 0.000 0.779 307 G HN 0.222 nan 8.290 nan 0.000 0.577 308 P HA -0.056 nan 4.420 nan 0.000 0.215 308 P C 2.104 179.421 177.300 0.029 0.000 1.153 308 P CA 0.786 63.909 63.100 0.037 0.000 0.853 308 P CB -0.138 31.571 31.700 0.014 0.000 0.788 309 L N -1.358 119.879 121.223 0.023 0.000 2.056 309 L HA -0.136 4.233 4.340 0.049 0.000 0.207 309 L C 2.374 179.290 176.870 0.077 0.000 1.078 309 L CA 1.301 56.153 54.840 0.020 0.000 0.749 309 L CB -1.190 40.862 42.059 -0.012 0.000 0.901 309 L HN -0.136 nan 8.230 nan 0.000 0.433 310 V N 0.092 120.085 119.914 0.133 0.000 2.392 310 V HA -0.315 3.834 4.120 0.049 0.000 0.249 310 V C 2.602 178.773 176.094 0.130 0.000 1.059 310 V CA 1.731 64.141 62.300 0.184 0.000 1.051 310 V CB -0.592 31.357 31.823 0.210 0.000 0.658 310 V HN 0.434 nan 8.190 nan 0.000 0.455 311 K N -0.290 120.159 120.400 0.083 0.000 2.147 311 K HA -0.121 4.228 4.320 0.049 0.000 0.205 311 K C 2.089 178.680 176.600 -0.015 0.000 1.049 311 K CA 1.286 57.593 56.287 0.034 0.000 0.936 311 K CB -0.131 32.393 32.500 0.040 0.000 0.722 311 K HN 0.420 nan 8.250 nan 0.000 0.446 312 L N 0.686 121.908 121.223 -0.001 0.000 2.027 312 L HA -0.143 4.226 4.340 0.049 0.000 0.206 312 L C 2.499 179.360 176.870 -0.015 0.000 1.074 312 L CA 1.014 55.846 54.840 -0.013 0.000 0.745 312 L CB -0.359 41.689 42.059 -0.019 0.000 0.898 312 L HN 0.146 nan 8.230 nan 0.000 0.433 313 E N 0.217 120.415 120.200 -0.002 0.000 2.110 313 E HA -0.208 4.172 4.350 0.049 0.000 0.193 313 E C 2.196 178.664 176.600 -0.220 0.000 0.988 313 E CA 1.388 57.804 56.400 0.027 0.000 0.804 313 E CB -0.046 29.774 29.700 0.200 0.000 0.745 313 E HN 0.464 nan 8.360 nan 0.000 0.458 314 A N 1.487 123.984 122.820 -0.539 0.000 1.873 314 A HA -0.171 4.178 4.320 0.049 0.000 0.215 314 A C 1.826 179.137 177.584 -0.456 0.000 1.186 314 A CA 1.684 53.110 52.037 -1.019 0.000 0.616 314 A CB -0.354 18.254 19.000 -0.654 0.000 0.823 314 A HN 0.067 nan 8.150 nan 0.000 0.442 315 D N -1.829 118.406 120.400 -0.276 0.000 2.178 315 D HA -0.122 4.547 4.640 0.049 0.000 0.202 315 D C 1.624 177.768 176.300 -0.260 0.000 0.974 315 D CA 1.335 55.172 54.000 -0.271 0.000 0.841 315 D CB -0.369 40.346 40.800 -0.141 0.000 0.953 315 D HN 0.634 nan 8.370 nan 0.000 0.478 316 Y N 1.257 121.409 120.300 -0.247 0.000 2.153 316 Y HA -0.181 4.398 4.550 0.049 0.000 0.289 316 Y C 2.025 177.813 175.900 -0.187 0.000 1.127 316 Y CA 1.758 59.752 58.100 -0.176 0.000 1.131 316 Y CB -0.161 38.239 38.460 -0.100 0.000 0.995 316 Y HN -0.169 nan 8.280 nan 0.000 0.505 317 D N 0.175 120.558 120.400 -0.029 0.000 2.116 317 D HA -0.259 4.410 4.640 0.049 0.000 0.193 317 D C 2.185 178.287 176.300 -0.329 0.000 0.998 317 D CA 1.922 55.924 54.000 0.004 0.000 0.836 317 D CB -0.280 40.728 40.800 0.347 0.000 0.951 317 D HN 0.345 nan 8.370 nan 0.000 0.449 318 K N 0.209 120.089 120.400 -0.866 0.000 2.063 318 K HA -0.219 4.130 4.320 0.049 0.000 0.208 318 K C 2.139 178.309 176.600 -0.718 0.000 1.048 318 K CA 1.330 56.693 56.287 -1.541 0.000 0.928 318 K CB -0.081 31.195 32.500 -2.040 0.000 0.713 318 K HN 0.012 nan 8.250 nan 0.000 0.442 319 K N 0.287 120.357 120.400 -0.551 0.000 2.097 319 K HA -0.137 4.212 4.320 0.049 0.000 0.205 319 K C 2.147 178.536 176.600 -0.351 0.000 1.050 319 K CA 0.894 56.945 56.287 -0.394 0.000 0.938 319 K CB -0.075 32.204 32.500 -0.367 0.000 0.718 319 K HN 0.077 nan 8.250 nan 0.000 0.442 320 L N 1.679 122.642 121.223 -0.433 0.000 1.988 320 L HA -0.138 4.232 4.340 0.049 0.000 0.207 320 L C 1.996 178.745 176.870 -0.202 0.000 1.071 320 L CA 1.890 56.523 54.840 -0.345 0.000 0.744 320 L CB -0.609 41.218 42.059 -0.387 0.000 0.893 320 L HN -0.030 nan 8.230 nan 0.000 0.433 321 K N 0.050 120.361 120.400 -0.148 0.000 2.089 321 K HA -0.216 4.133 4.320 0.049 0.000 0.210 321 K C 1.976 178.590 176.600 0.023 0.000 1.048 321 K CA 2.046 58.316 56.287 -0.030 0.000 0.926 321 K CB -0.179 32.413 32.500 0.154 0.000 0.714 321 K HN 0.501 nan 8.250 nan 0.000 0.448 322 E N -0.955 119.218 120.200 -0.045 0.000 2.481 322 E HA -0.046 4.334 4.350 0.049 0.000 0.195 322 E C 1.300 177.893 176.600 -0.012 0.000 1.047 322 E CA 0.803 57.199 56.400 -0.006 0.000 0.867 322 E CB 0.258 29.921 29.700 -0.062 0.000 0.858 322 E HN 0.373 nan 8.360 nan 0.000 0.513 323 S N -0.341 115.329 115.700 -0.051 0.000 2.503 323 S HA -0.004 4.495 4.470 0.049 0.000 0.215 323 S C 1.686 176.288 174.600 0.003 0.000 1.003 323 S CA -0.101 58.076 58.200 -0.039 0.000 0.910 323 S CB 0.176 63.323 63.200 -0.088 0.000 0.790 323 S HN 0.132 nan 8.310 nan 0.000 0.514 324 Q N 1.497 121.304 119.800 0.011 0.000 2.369 324 Q HA 0.041 4.410 4.340 0.049 0.000 0.206 324 Q C 0.763 176.945 176.000 0.303 0.000 0.963 324 Q CA 0.766 56.597 55.803 0.046 0.000 0.894 324 Q CB -0.381 28.166 28.738 -0.318 0.000 0.965 324 Q HN 0.576 nan 8.270 nan 0.000 0.475 325 T N 1.279 116.000 114.554 0.278 0.000 2.905 325 T HA -0.075 4.304 4.350 0.049 0.000 0.299 325 T C -0.297 174.482 174.700 0.132 0.000 1.024 325 T CA 0.357 62.584 62.100 0.212 0.000 1.151 325 T CB 0.366 69.301 68.868 0.112 0.000 0.987 325 T HN 0.064 nan 8.240 nan 0.000 0.535 326 Q N 3.471 123.325 119.800 0.090 0.000 2.394 326 Q HA 0.298 4.667 4.340 0.049 0.000 0.273 326 Q C -0.196 175.813 176.000 0.014 0.000 1.089 326 Q CA -0.719 55.123 55.803 0.065 0.000 0.812 326 Q CB 2.293 31.090 28.738 0.097 0.000 1.353 326 Q HN 0.742 nan 8.270 nan 0.000 0.438 327 D N 0.541 120.953 120.400 0.018 0.000 2.468 327 D HA 0.013 4.682 4.640 0.049 0.000 0.243 327 D C -0.138 176.164 176.300 0.004 0.000 0.994 327 D CA 0.752 54.754 54.000 0.003 0.000 0.932 327 D CB 0.395 41.197 40.800 0.003 0.000 1.078 327 D HN 0.369 nan 8.370 nan 0.000 0.473 328 N N 0.649 119.363 118.700 0.022 0.000 3.044 328 N HA 0.212 4.981 4.740 0.049 0.000 0.254 328 N C -1.135 174.419 175.510 0.074 0.000 1.253 328 N CA -0.255 52.819 53.050 0.040 0.000 0.944 328 N CB 0.877 39.386 38.487 0.036 0.000 1.217 328 N HN -0.020 nan 8.380 nan 0.000 0.498 329 I N 1.074 121.690 120.570 0.076 0.000 2.412 329 I HA 0.238 4.437 4.170 0.049 0.000 0.296 329 I C 0.719 176.911 176.117 0.125 0.000 0.987 329 I CA -0.556 60.786 61.300 0.070 0.000 1.180 329 I CB 1.398 39.369 38.000 -0.049 0.000 1.340 329 I HN 0.154 nan 8.210 nan 0.000 0.455 330 T N 5.756 120.375 114.554 0.108 0.000 2.729 330 T HA 0.432 4.811 4.350 0.049 0.000 0.296 330 T C 0.248 174.909 174.700 -0.066 0.000 0.928 330 T CA -0.234 61.898 62.100 0.053 0.000 1.045 330 T CB 0.784 69.683 68.868 0.052 0.000 0.902 330 T HN 0.250 nan 8.240 nan 0.000 0.500 331 V N 5.428 125.186 119.914 -0.261 0.000 2.612 331 V HA 0.594 4.743 4.120 0.049 0.000 0.301 331 V C 0.338 176.086 176.094 -0.576 0.000 1.046 331 V CA -0.915 61.041 62.300 -0.573 0.000 0.946 331 V CB 1.744 32.744 31.823 -1.372 0.000 1.003 331 V HN 0.746 nan 8.190 nan 0.000 0.459 332 R N 1.655 121.828 120.500 -0.544 0.000 2.888 332 R HA 0.598 4.967 4.340 0.049 0.000 0.266 332 R C -1.679 174.344 176.300 -0.461 0.000 1.020 332 R CA -0.641 55.223 56.100 -0.393 0.000 0.963 332 R CB 2.255 32.477 30.300 -0.130 0.000 1.197 332 R HN 0.658 nan 8.270 nan 0.000 0.481 341 R N 1.328 121.879 120.500 0.084 0.000 2.668 341 R HA 0.613 4.982 4.340 0.049 0.000 0.279 341 R C -0.144 176.232 176.300 0.127 0.000 0.976 341 R CA -0.919 55.248 56.100 0.112 0.000 0.978 341 R CB 1.175 31.541 30.300 0.110 0.000 1.133 341 R HN 0.447 nan 8.270 nan 0.000 0.484 342 I N 0.813 121.458 120.570 0.126 0.000 2.525 342 I HA 0.521 4.721 4.170 0.049 0.000 0.301 342 I C -0.254 175.801 176.117 -0.103 0.000 0.992 342 I CA -0.917 60.353 61.300 -0.049 0.000 1.162 342 I CB 2.037 39.948 38.000 -0.149 0.000 1.332 342 I HN 0.603 nan 8.210 nan 0.000 0.458 343 A N 5.333 127.914 122.820 -0.398 0.000 2.359 343 A HA 0.767 5.117 4.320 0.049 0.000 0.303 343 A C -1.624 175.606 177.584 -0.589 0.000 1.066 343 A CA -0.349 51.364 52.037 -0.541 0.000 0.730 343 A CB 0.763 19.477 19.000 -0.476 0.000 1.211 343 A HN 0.592 nan 8.150 nan 0.000 0.439 344 Y N 1.294 121.423 120.300 -0.285 0.000 2.393 344 Y HA 0.720 5.306 4.550 0.060 0.000 0.341 344 Y C -0.225 175.603 175.900 -0.121 0.000 0.988 344 Y CA -0.599 57.361 58.100 -0.232 0.000 1.078 344 Y CB 1.824 40.165 38.460 -0.199 0.000 1.203 344 Y HN 0.768 nan 8.280 nan 0.000 0.453 345 F N -1.683 118.226 119.950 -0.069 0.000 2.741 345 F HA 0.758 5.309 4.527 0.041 0.000 0.311 345 F C -1.338 174.448 175.800 -0.024 0.000 1.149 345 F CA -1.076 56.871 58.000 -0.088 0.000 0.930 345 F CB 1.517 40.425 39.000 -0.155 0.000 1.312 345 F HN 0.219 nan 8.300 nan 0.000 0.450 346 T N 2.800 117.464 114.554 0.183 0.000 2.841 346 T HA 0.679 5.058 4.350 0.049 0.000 0.285 346 T C -0.690 174.128 174.700 0.196 0.000 0.991 346 T CA -0.556 61.615 62.100 0.119 0.000 0.966 346 T CB 1.263 70.170 68.868 0.065 0.000 0.962 346 T HN 0.626 nan 8.240 nan 0.000 0.438 347 L N 3.884 125.227 121.223 0.200 0.000 2.375 347 L HA 0.573 4.942 4.340 0.049 0.000 0.268 347 L C -1.578 175.370 176.870 0.130 0.000 1.058 347 L CA -2.029 52.929 54.840 0.197 0.000 0.803 347 L CB -0.022 42.191 42.059 0.257 0.000 1.212 347 L HN 0.429 nan 8.230 nan 0.000 0.451 357 M N 2.283 121.916 119.600 0.055 0.000 2.255 357 M HA 0.400 4.909 4.480 0.049 0.000 0.336 357 M C 0.341 176.667 176.300 0.044 0.000 1.135 357 M CA -0.174 55.147 55.300 0.035 0.000 1.145 357 M CB 0.647 33.260 32.600 0.022 0.000 1.473 357 M HN 0.600 nan 8.290 nan 0.000 0.462 358 Q N 0.509 120.324 119.800 0.024 0.000 2.349 358 Q HA 0.218 4.587 4.340 0.049 0.000 0.287 358 Q C 1.035 177.051 176.000 0.028 0.000 1.044 358 Q CA 1.177 56.993 55.803 0.023 0.000 0.918 358 Q CB 0.209 28.950 28.738 0.006 0.000 1.242 358 Q HN 1.072 nan 8.270 nan 0.000 0.405 359 G N 2.485 111.312 108.800 0.046 0.000 2.184 359 G HA2 -0.243 3.747 3.960 0.049 0.000 0.264 359 G HA3 -0.243 3.747 3.960 0.049 0.000 0.264 359 G C -0.343 174.637 174.900 0.134 0.000 0.975 359 G CA 0.172 45.306 45.100 0.057 0.000 0.642 359 G HN 0.656 nan 8.290 nan 0.000 0.536 360 D N 1.355 121.829 120.400 0.123 0.000 2.425 360 D HA 0.362 5.032 4.640 0.049 0.000 0.247 360 D C 0.741 177.137 176.300 0.160 0.000 1.147 360 D CA 0.290 54.376 54.000 0.142 0.000 0.879 360 D CB 0.502 41.399 40.800 0.161 0.000 1.179 360 D HN 0.450 nan 8.370 nan 0.000 0.456 361 E N 2.090 122.373 120.200 0.138 0.000 2.257 361 E HA 0.226 4.605 4.350 0.049 0.000 0.278 361 E C -0.086 176.532 176.600 0.030 0.000 1.049 361 E CA -0.026 56.389 56.400 0.026 0.000 0.876 361 E CB 0.925 30.623 29.700 -0.003 0.000 1.035 361 E HN 0.370 nan 8.360 nan 0.000 0.419 362 I N 2.691 123.241 120.570 -0.033 0.000 2.530 362 I HA 0.205 4.404 4.170 0.049 0.000 0.297 362 I C -0.381 175.682 176.117 -0.090 0.000 1.011 362 I CA -0.880 60.381 61.300 -0.065 0.000 1.107 362 I CB 1.798 39.763 38.000 -0.058 0.000 1.285 362 I HN 0.536 nan 8.210 nan 0.000 0.436 363 C N 7.803 127.038 119.300 -0.108 0.000 2.264 363 C HA 0.605 5.094 4.460 0.049 0.000 0.324 363 C C -0.670 174.268 174.990 -0.085 0.000 1.267 363 C CA -0.479 58.484 59.018 -0.091 0.000 1.618 363 C CB -0.015 27.680 27.740 -0.075 0.000 2.278 363 C HN 0.585 nan 8.230 nan 0.000 0.499 364 L N 6.686 127.903 121.223 -0.009 0.000 2.296 364 L HA 0.659 5.028 4.340 0.049 0.000 0.286 364 L C 0.075 177.088 176.870 0.238 0.000 1.023 364 L CA 0.256 55.173 54.840 0.127 0.000 0.812 364 L CB 1.007 43.231 42.059 0.274 0.000 1.223 364 L HN 0.717 nan 8.230 nan 0.000 0.421 365 R N 3.233 123.883 120.500 0.250 0.000 2.561 365 R HA 0.325 4.694 4.340 0.049 0.000 0.297 365 R C -1.629 174.848 176.300 0.295 0.000 0.969 365 R CA -0.822 55.425 56.100 0.244 0.000 0.879 365 R CB 2.085 32.416 30.300 0.052 0.000 1.178 365 R HN 0.479 nan 8.270 nan 0.000 0.445 366 Y N 2.757 123.169 120.300 0.187 0.000 2.327 366 Y HA 0.203 4.783 4.550 0.049 0.000 0.336 366 Y C -0.034 175.785 175.900 -0.135 0.000 1.035 366 Y CA 0.033 57.989 58.100 -0.241 0.000 1.165 366 Y CB 0.917 39.178 38.460 -0.333 0.000 1.181 366 Y HN 0.435 nan 8.280 nan 0.000 0.494 367 K N 4.958 124.886 120.400 -0.787 0.000 2.676 367 K HA 0.279 4.628 4.320 0.049 0.000 0.205 367 K C 0.233 176.452 176.600 -0.636 0.000 1.084 367 K CA -0.107 55.873 56.287 -0.512 0.000 1.057 367 K CB 0.906 33.250 32.500 -0.260 0.000 0.791 367 K HN 0.836 nan 8.250 nan 0.000 0.484 368 G N 0.449 108.500 108.800 -1.248 0.000 2.511 368 G HA2 0.176 4.165 3.960 0.049 0.000 0.316 368 G HA3 0.176 4.165 3.960 0.049 0.000 0.316 368 G C -0.591 174.192 174.900 -0.196 0.000 1.210 368 G CA -0.319 44.395 45.100 -0.645 0.000 0.969 368 G HN -0.000 nan 8.290 nan 0.000 0.492 369 D N 0.549 120.941 120.400 -0.014 0.000 2.930 369 D HA 0.317 4.986 4.640 0.049 0.000 0.304 369 D C 0.615 176.984 176.300 0.115 0.000 1.298 369 D CA 0.073 54.108 54.000 0.060 0.000 0.949 369 D CB 0.510 41.321 40.800 0.018 0.000 1.013 369 D HN 0.150 nan 8.370 nan 0.000 0.510 370 L N -0.381 120.970 121.223 0.213 0.000 3.519 370 L HA 0.560 4.929 4.340 0.049 0.000 0.323 370 L C 0.031 176.942 176.870 0.069 0.000 1.289 370 L CA -0.283 54.640 54.840 0.138 0.000 1.039 370 L CB 0.694 42.842 42.059 0.149 0.000 1.438 370 L HN 0.097 nan 8.230 nan 0.000 0.619 371 A N -0.249 122.640 122.820 0.116 0.000 2.586 371 A HA 0.662 5.011 4.320 0.049 0.000 0.296 371 A C -2.966 174.684 177.584 0.111 0.000 1.040 371 A CA -0.757 51.279 52.037 -0.002 0.000 0.701 371 A CB 0.496 19.312 19.000 -0.306 0.000 1.277 371 A HN -0.109 nan 8.150 nan 0.000 0.413 372 P HA 0.365 nan 4.420 nan 0.000 0.268 372 P C -0.357 177.063 177.300 0.199 0.000 1.205 372 P CA -0.137 63.031 63.100 0.114 0.000 0.771 372 P CB 0.298 32.046 31.700 0.080 0.000 0.858 373 L N 2.495 123.826 121.223 0.179 0.000 2.667 373 L HA -0.024 4.345 4.340 0.049 0.000 0.278 373 L C 0.359 177.376 176.870 0.244 0.000 1.217 373 L CA 0.415 55.372 54.840 0.196 0.000 0.935 373 L CB -0.250 41.862 42.059 0.088 0.000 1.193 373 L HN 0.507 nan 8.230 nan 0.000 0.493 374 W N 6.249 127.611 121.300 0.104 0.000 2.719 374 W HA 0.562 5.242 4.660 0.033 0.000 0.352 374 W C -0.639 175.931 176.519 0.086 0.000 1.085 374 W CA -0.952 56.446 57.345 0.087 0.000 1.187 374 W CB 1.288 30.809 29.460 0.102 0.000 1.417 374 W HN 0.264 nan 8.180 nan 0.000 0.557 375 K N 3.224 123.056 120.400 -0.947 0.000 2.581 375 K HA 0.609 4.959 4.320 0.049 0.000 0.249 375 K C -1.070 174.661 176.600 -1.449 0.000 0.966 375 K CA -0.625 55.126 56.287 -0.893 0.000 0.811 375 K CB 1.241 33.492 32.500 -0.415 0.000 1.223 375 K HN 0.722 nan 8.250 nan 0.000 0.438 376 G N 3.992 112.004 108.800 -1.314 0.000 2.719 376 G HA2 0.486 4.475 3.960 0.049 0.000 0.298 376 G HA3 0.486 4.475 3.960 0.049 0.000 0.298 376 G C -1.290 173.469 174.900 -0.234 0.000 1.411 376 G CA -0.627 44.025 45.100 -0.747 0.000 0.991 376 G HN 0.372 nan 8.290 nan 0.000 0.509 377 I N 1.247 121.735 120.570 -0.137 0.000 2.353 377 I HA 0.639 4.839 4.170 0.049 0.000 0.293 377 I C 0.777 176.831 176.117 -0.105 0.000 0.992 377 I CA -0.485 60.742 61.300 -0.120 0.000 1.268 377 I CB 0.947 38.857 38.000 -0.151 0.000 1.387 377 I HN 0.594 nan 8.210 nan 0.000 0.478 378 G N 4.725 113.448 108.800 -0.130 0.000 2.619 378 G HA2 0.611 4.600 3.960 0.049 0.000 0.296 378 G HA3 0.611 4.600 3.960 0.049 0.000 0.296 378 G C -1.440 173.320 174.900 -0.234 0.000 1.334 378 G CA -0.507 44.516 45.100 -0.128 0.000 0.934 378 G HN 0.602 nan 8.290 nan 0.000 0.476 379 H N -0.765 118.320 119.070 0.025 0.000 2.467 379 H HA 0.434 5.006 4.556 0.026 0.000 0.331 379 H C 0.256 175.585 175.328 0.002 0.000 1.120 379 H CA -0.579 55.478 56.048 0.014 0.000 1.270 379 H CB 1.974 31.737 29.762 0.001 0.000 1.466 379 H HN 0.288 nan 8.280 nan 0.000 0.504 380 V N 4.571 124.560 119.914 0.125 0.000 2.585 380 V HA -0.059 4.091 4.120 0.049 0.000 0.296 380 V C 1.416 177.531 176.094 0.034 0.000 1.035 380 V CA 0.751 63.082 62.300 0.052 0.000 1.084 380 V CB -0.140 31.720 31.823 0.062 0.000 0.953 380 V HN 0.799 nan 8.190 nan 0.000 0.483 381 I N 1.325 121.888 120.570 -0.012 0.000 4.323 381 I HA 0.461 4.660 4.170 0.049 0.000 0.328 381 I C 0.670 176.778 176.117 -0.015 0.000 1.310 381 I CA 0.093 61.387 61.300 -0.010 0.000 1.186 381 I CB 0.366 38.358 38.000 -0.013 0.000 1.130 381 I HN 0.515 nan 8.210 nan 0.000 0.411 382 K N 2.489 122.867 120.400 -0.036 0.000 2.613 382 K HA 0.541 4.890 4.320 0.049 0.000 0.248 382 K C -1.008 175.567 176.600 -0.041 0.000 0.959 382 K CA -0.548 55.724 56.287 -0.025 0.000 0.855 382 K CB 2.382 34.879 32.500 -0.006 0.000 1.143 382 K HN 0.037 nan 8.250 nan 0.000 0.437 383 V N 3.777 123.678 119.914 -0.021 0.000 3.214 383 V HA 0.357 4.506 4.120 0.049 0.000 0.306 383 V C -1.832 174.248 176.094 -0.023 0.000 1.078 383 V CA -1.343 60.947 62.300 -0.018 0.000 1.077 383 V CB 0.554 32.374 31.823 -0.005 0.000 1.121 383 V HN 0.788 nan 8.190 nan 0.000 0.468 390 E N 1.498 121.676 120.200 -0.036 0.000 2.529 390 E HA 0.131 4.510 4.350 0.049 0.000 0.259 390 E C -0.029 176.482 176.600 -0.148 0.000 0.966 390 E CA 0.566 56.919 56.400 -0.079 0.000 0.937 390 E CB 0.634 30.314 29.700 -0.034 0.000 0.923 390 E HN 0.250 nan 8.360 nan 0.000 0.468 391 I N 1.678 122.038 120.570 -0.349 0.000 2.648 391 I HA 0.563 4.762 4.170 0.049 0.000 0.304 391 I C -0.234 175.555 176.117 -0.546 0.000 1.009 391 I CA -0.836 60.169 61.300 -0.491 0.000 1.114 391 I CB 1.915 39.441 38.000 -0.789 0.000 1.293 391 I HN 0.421 nan 8.210 nan 0.000 0.449 392 A N 6.690 129.275 122.820 -0.392 0.000 2.408 392 A HA 0.788 5.137 4.320 0.049 0.000 0.295 392 A C -0.849 176.544 177.584 -0.319 0.000 1.040 392 A CA -0.479 51.290 52.037 -0.447 0.000 0.707 392 A CB 1.315 20.126 19.000 -0.315 0.000 1.235 392 A HN 0.729 nan 8.150 nan 0.000 0.418 393 I N -0.404 119.980 120.570 -0.310 0.000 2.466 393 I HA 0.599 4.798 4.170 0.049 0.000 0.289 393 I C -0.241 175.817 176.117 -0.098 0.000 1.026 393 I CA -0.472 60.756 61.300 -0.121 0.000 1.078 393 I CB 1.826 39.824 38.000 -0.002 0.000 1.249 393 I HN 0.740 nan 8.210 nan 0.000 0.429 394 E N 5.850 126.037 120.200 -0.022 0.000 2.354 394 E HA 0.374 4.753 4.350 0.049 0.000 0.269 394 E C -1.352 175.299 176.600 0.085 0.000 1.036 394 E CA -0.591 55.829 56.400 0.033 0.000 0.876 394 E CB 1.427 31.162 29.700 0.058 0.000 1.009 394 E HN 0.659 nan 8.360 nan 0.000 0.416 395 L N 4.450 125.740 121.223 0.111 0.000 2.307 395 L HA 0.321 4.690 4.340 0.049 0.000 0.282 395 L C 1.682 178.627 176.870 0.125 0.000 1.051 395 L CA -0.304 54.619 54.840 0.138 0.000 0.804 395 L CB 1.277 43.470 42.059 0.224 0.000 1.197 395 L HN 0.630 nan 8.230 nan 0.000 0.431 396 R N 0.899 121.456 120.500 0.095 0.000 2.148 396 R HA -0.035 4.334 4.340 0.049 0.000 0.227 396 R C 0.345 176.695 176.300 0.082 0.000 1.103 396 R CA 0.626 56.781 56.100 0.092 0.000 0.983 396 R CB 0.291 30.605 30.300 0.023 0.000 0.874 396 R HN 0.564 nan 8.270 nan 0.000 0.451 397 S N -1.316 114.443 115.700 0.098 0.000 2.521 397 S HA 0.284 4.783 4.470 0.049 0.000 0.295 397 S C 0.141 174.810 174.600 0.116 0.000 1.098 397 S CA -0.804 57.452 58.200 0.093 0.000 0.999 397 S CB 2.096 65.348 63.200 0.087 0.000 1.034 397 S HN 0.156 nan 8.310 nan 0.000 0.483 398 S N 2.563 118.310 115.700 0.078 0.000 2.317 398 S HA 0.116 4.615 4.470 0.049 0.000 0.212 398 S C 0.581 175.211 174.600 0.050 0.000 1.030 398 S CA 0.667 58.901 58.200 0.058 0.000 0.970 398 S CB -0.154 63.066 63.200 0.033 0.000 0.928 398 S HN 0.660 nan 8.310 nan 0.000 0.451 399 V N 0.940 120.881 119.914 0.046 0.000 2.963 399 V HA 0.433 4.583 4.120 0.049 0.000 0.306 399 V C 1.623 177.772 176.094 0.090 0.000 1.077 399 V CA 0.800 63.121 62.300 0.035 0.000 1.124 399 V CB 0.328 32.168 31.823 0.028 0.000 0.987 399 V HN 0.783 nan 8.190 nan 0.000 0.487 400 G N 2.242 111.075 108.800 0.056 0.000 2.234 400 G HA2 -0.127 3.862 3.960 0.049 0.000 0.235 400 G HA3 -0.127 3.862 3.960 0.049 0.000 0.235 400 G C 0.506 175.394 174.900 -0.019 0.000 0.997 400 G CA 0.150 45.335 45.100 0.142 0.000 0.623 400 G HN 1.674 nan 8.290 nan 0.000 0.514 401 A N 2.049 124.769 122.820 -0.166 0.000 2.484 401 A HA 0.561 4.910 4.320 0.049 0.000 0.268 401 A C -1.272 175.782 177.584 -0.883 0.000 1.114 401 A CA -0.101 51.545 52.037 -0.652 0.000 0.780 401 A CB 0.055 18.800 19.000 -0.426 0.000 1.061 401 A HN 0.315 nan 8.150 nan 0.000 0.505 402 P HA 0.167 nan 4.420 nan 0.000 0.256 402 P C 0.305 177.002 177.300 -1.005 0.000 1.689 402 P CA -0.011 62.603 63.100 -0.810 0.000 1.124 402 P CB 0.647 31.932 31.700 -0.692 0.000 1.766 403 V N 2.836 122.043 119.914 -1.179 0.000 3.623 403 V HA -0.116 4.033 4.120 0.049 0.000 0.271 403 V C 2.163 177.831 176.094 -0.710 0.000 1.248 403 V CA 1.286 62.587 62.300 -1.665 0.000 1.156 403 V CB -1.076 30.048 31.823 -1.165 0.000 0.870 403 V HN 0.442 nan 8.190 nan 0.000 0.453 404 E N 0.016 119.978 120.200 -0.398 0.000 2.299 404 E HA 0.013 4.393 4.350 0.049 0.000 0.193 404 E C 0.528 177.130 176.600 0.002 0.000 0.998 404 E CA 0.368 56.678 56.400 -0.150 0.000 0.851 404 E CB 0.040 29.655 29.700 -0.143 0.000 0.795 404 E HN 0.431 nan 8.360 nan 0.000 0.492 405 V N 0.327 120.282 119.914 0.069 0.000 2.713 405 V HA 0.253 4.402 4.120 0.049 0.000 0.307 405 V C 0.582 176.995 176.094 0.531 0.000 1.052 405 V CA -0.459 61.979 62.300 0.230 0.000 0.967 405 V CB 1.677 33.494 31.823 -0.010 0.000 1.019 405 V HN 0.123 nan 8.190 nan 0.000 0.459 406 T N -0.423 114.364 114.554 0.388 0.000 3.098 406 T HA 0.203 4.582 4.350 0.049 0.000 0.246 406 T C 0.430 175.212 174.700 0.137 0.000 0.983 406 T CA 0.408 62.570 62.100 0.104 0.000 1.094 406 T CB 0.087 68.766 68.868 -0.315 0.000 1.035 406 T HN 0.705 nan 8.240 nan 0.000 0.456 407 H N 1.359 120.689 119.070 0.433 0.000 2.525 407 H HA 0.421 5.008 4.556 0.052 0.000 0.340 407 H C 0.087 175.560 175.328 0.241 0.000 1.168 407 H CA -0.424 55.807 56.048 0.306 0.000 1.247 407 H CB 0.713 30.575 29.762 0.167 0.000 1.568 407 H HN 0.262 nan 8.280 nan 0.000 0.536 408 N N -0.289 118.556 118.700 0.241 0.000 2.815 408 N HA -0.192 4.578 4.740 0.049 0.000 0.249 408 N C -1.087 174.322 175.510 -0.170 0.000 1.114 408 N CA -0.018 53.012 53.050 -0.033 0.000 0.717 408 N CB -1.112 37.247 38.487 -0.214 0.000 1.074 408 N HN 0.242 nan 8.380 nan 0.000 0.555 409 F N 1.188 121.139 119.950 0.001 0.000 2.370 409 F HA 0.369 4.929 4.527 0.054 0.000 0.324 409 F C 1.003 176.753 175.800 -0.083 0.000 1.116 409 F CA 0.011 58.011 58.000 0.001 0.000 1.123 409 F CB 0.885 39.882 39.000 -0.005 0.000 1.238 409 F HN -0.016 nan 8.300 nan 0.000 0.536 410 Q N 1.236 121.094 119.800 0.097 0.000 2.340 410 Q HA 0.591 4.960 4.340 0.049 0.000 0.268 410 Q C -1.828 174.114 176.000 -0.097 0.000 1.031 410 Q CA -0.736 55.057 55.803 -0.017 0.000 0.804 410 Q CB 2.058 30.783 28.738 -0.022 0.000 1.286 410 Q HN 0.514 nan 8.270 nan 0.000 0.448 411 V N 3.635 123.432 119.914 -0.194 0.000 2.347 411 V HA 0.355 4.504 4.120 0.049 0.000 0.280 411 V C -1.000 174.939 176.094 -0.259 0.000 1.021 411 V CA -0.626 61.469 62.300 -0.341 0.000 0.847 411 V CB 1.557 33.063 31.823 -0.529 0.000 0.990 411 V HN 0.793 nan 8.190 nan 0.000 0.444 412 D N 3.691 123.948 120.400 -0.238 0.000 2.375 412 D HA 0.572 5.242 4.640 0.049 0.000 0.247 412 D C -0.838 175.363 176.300 -0.165 0.000 1.061 412 D CA -0.218 53.714 54.000 -0.114 0.000 0.834 412 D CB 1.604 42.388 40.800 -0.026 0.000 1.247 412 D HN 0.362 nan 8.370 nan 0.000 0.489 413 F N 1.623 121.610 119.950 0.060 0.000 2.413 413 F HA 0.258 4.816 4.527 0.051 0.000 0.359 413 F C 0.345 176.210 175.800 0.108 0.000 1.122 413 F CA -0.870 57.183 58.000 0.088 0.000 1.160 413 F CB 0.614 39.675 39.000 0.101 0.000 1.146 413 F HN 0.013 nan 8.300 nan 0.000 0.514 414 V N 3.801 123.852 119.914 0.229 0.000 2.508 414 V HA -0.061 4.088 4.120 0.049 0.000 0.281 414 V C -0.305 175.951 176.094 0.269 0.000 1.041 414 V CA -0.651 61.767 62.300 0.197 0.000 1.016 414 V CB 0.361 32.243 31.823 0.098 0.000 0.984 414 V HN 0.759 nan 8.190 nan 0.000 0.478 415 W N 6.163 127.521 121.300 0.097 0.000 2.438 415 W HA 0.569 5.259 4.660 0.050 0.000 0.324 415 W C -0.155 176.422 176.519 0.098 0.000 1.119 415 W CA -0.777 56.630 57.345 0.103 0.000 1.221 415 W CB 0.945 30.454 29.460 0.081 0.000 1.253 415 W HN 0.418 nan 8.180 nan 0.000 0.555 416 K N 2.786 122.785 120.400 -0.669 0.000 2.427 416 K HA 0.198 4.547 4.320 0.049 0.000 0.252 416 K C 0.548 176.490 176.600 -1.096 0.000 0.931 416 K CA -0.424 55.484 56.287 -0.631 0.000 0.793 416 K CB 2.189 34.514 32.500 -0.291 0.000 1.211 416 K HN 0.483 nan 8.250 nan 0.000 0.426 417 S N 0.111 115.342 115.700 -0.782 0.000 2.558 417 S HA -0.078 4.422 4.470 0.049 0.000 0.217 417 S C 1.392 175.905 174.600 -0.144 0.000 0.975 417 S CA 0.648 58.555 58.200 -0.488 0.000 0.912 417 S CB -0.183 62.950 63.200 -0.112 0.000 0.776 417 S HN 0.604 nan 8.310 nan 0.000 0.526 418 T N 3.616 118.053 114.554 -0.195 0.000 2.602 418 T HA -0.264 4.116 4.350 0.049 0.000 0.264 418 T C 2.267 176.882 174.700 -0.141 0.000 1.085 418 T CA 2.682 64.703 62.100 -0.132 0.000 1.164 418 T CB -1.109 67.674 68.868 -0.141 0.000 0.860 418 T HN 0.842 nan 8.240 nan 0.000 0.442 419 S N 1.142 116.683 115.700 -0.266 0.000 2.368 419 S HA -0.064 4.435 4.470 0.049 0.000 0.224 419 S C 1.894 176.305 174.600 -0.315 0.000 1.029 419 S CA 1.113 59.105 58.200 -0.346 0.000 0.988 419 S CB -1.017 61.874 63.200 -0.515 0.000 0.838 419 S HN 0.519 nan 8.310 nan 0.000 0.462 420 F N 2.565 122.499 119.950 -0.028 0.000 2.146 420 F HA -0.006 4.551 4.527 0.049 0.000 0.298 420 F C 2.549 178.365 175.800 0.027 0.000 1.096 420 F CA 1.119 59.139 58.000 0.034 0.000 1.275 420 F CB -0.625 38.440 39.000 0.107 0.000 1.008 420 F HN 0.133 nan 8.300 nan 0.000 0.480 421 D N 0.286 120.787 120.400 0.169 0.000 2.116 421 D HA -0.162 4.508 4.640 0.049 0.000 0.193 421 D C 2.312 178.645 176.300 0.056 0.000 0.998 421 D CA 1.282 55.342 54.000 0.100 0.000 0.836 421 D CB -0.385 40.446 40.800 0.052 0.000 0.951 421 D HN 0.236 nan 8.370 nan 0.000 0.449 422 R N -0.264 120.242 120.500 0.009 0.000 2.075 422 R HA 0.005 4.374 4.340 0.049 0.000 0.232 422 R C 2.558 178.857 176.300 -0.002 0.000 1.126 422 R CA 0.868 56.961 56.100 -0.012 0.000 0.963 422 R CB -0.212 30.057 30.300 -0.051 0.000 0.858 422 R HN 0.242 nan 8.270 nan 0.000 0.435 423 M N 0.423 120.024 119.600 0.002 0.000 2.080 423 M HA -0.227 4.282 4.480 0.049 0.000 0.260 423 M C 2.294 178.627 176.300 0.056 0.000 1.068 423 M CA 1.618 56.928 55.300 0.017 0.000 1.109 423 M CB -0.240 32.381 32.600 0.036 0.000 1.342 423 M HN 0.093 nan 8.290 nan 0.000 0.405 424 Q N -0.492 119.362 119.800 0.089 0.000 2.084 424 Q HA -0.130 4.239 4.340 0.049 0.000 0.202 424 Q C 2.255 178.301 176.000 0.076 0.000 0.978 424 Q CA 1.535 57.396 55.803 0.097 0.000 0.844 424 Q CB -0.632 28.172 28.738 0.110 0.000 0.898 424 Q HN 0.445 nan 8.270 nan 0.000 0.426 425 S N 0.611 116.345 115.700 0.058 0.000 2.365 425 S HA -0.211 4.288 4.470 0.049 0.000 0.225 425 S C 1.949 176.574 174.600 0.041 0.000 1.039 425 S CA 1.366 59.592 58.200 0.043 0.000 1.033 425 S CB -0.178 63.038 63.200 0.028 0.000 0.887 425 S HN 0.519 nan 8.310 nan 0.000 0.447 426 A N 1.101 123.938 122.820 0.029 0.000 1.877 426 A HA -0.023 4.326 4.320 0.049 0.000 0.216 426 A C 2.121 179.747 177.584 0.070 0.000 1.186 426 A CA 1.405 53.453 52.037 0.019 0.000 0.620 426 A CB -0.796 18.187 19.000 -0.029 0.000 0.822 426 A HN 0.530 nan 8.150 nan 0.000 0.443 427 L N -0.590 120.691 121.223 0.096 0.000 2.079 427 L HA -0.231 4.138 4.340 0.049 0.000 0.210 427 L C 2.620 179.580 176.870 0.150 0.000 1.081 427 L CA 2.028 56.976 54.840 0.180 0.000 0.752 427 L CB -0.433 41.733 42.059 0.178 0.000 0.896 427 L HN 0.525 nan 8.230 nan 0.000 0.433 428 K N -0.242 120.213 120.400 0.091 0.000 2.007 428 K HA -0.142 4.208 4.320 0.049 0.000 0.206 428 K C 2.088 178.701 176.600 0.023 0.000 1.047 428 K CA 1.727 58.041 56.287 0.044 0.000 0.937 428 K CB -0.112 32.416 32.500 0.046 0.000 0.718 428 K HN 0.056 nan 8.250 nan 0.000 0.438 429 T N 0.980 115.565 114.554 0.051 0.000 2.759 429 T HA -0.165 4.214 4.350 0.049 0.000 0.269 429 T C 1.325 176.081 174.700 0.093 0.000 1.042 429 T CA 1.377 63.508 62.100 0.052 0.000 1.140 429 T CB -0.363 68.537 68.868 0.053 0.000 0.864 429 T HN 0.259 nan 8.240 nan 0.000 0.455 430 F N 2.007 121.916 119.950 -0.067 0.000 2.171 430 F HA 0.033 4.589 4.527 0.049 0.000 0.300 430 F C 2.337 178.077 175.800 -0.100 0.000 1.090 430 F CA 0.697 58.648 58.000 -0.082 0.000 1.293 430 F CB -0.831 38.094 39.000 -0.125 0.000 1.013 430 F HN 0.152 nan 8.300 nan 0.000 0.486 431 A N -1.119 121.552 122.820 -0.248 0.000 1.930 431 A HA 0.039 4.388 4.320 0.049 0.000 0.215 431 A C 2.238 179.438 177.584 -0.640 0.000 1.176 431 A CA 1.602 53.252 52.037 -0.646 0.000 0.632 431 A CB -0.853 17.695 19.000 -0.752 0.000 0.819 431 A HN 0.218 nan 8.150 nan 0.000 0.445 432 V N -0.212 119.525 119.914 -0.294 0.000 3.085 432 V HA 0.053 4.203 4.120 0.049 0.000 0.245 432 V C 0.118 176.198 176.094 -0.024 0.000 1.114 432 V CA 0.920 63.149 62.300 -0.119 0.000 1.108 432 V CB 0.187 31.984 31.823 -0.044 0.000 0.798 432 V HN 0.519 nan 8.190 nan 0.000 0.471 433 D N 0.740 121.123 120.400 -0.029 0.000 2.427 433 D HA 0.109 4.778 4.640 0.049 0.000 0.226 433 D C 1.405 177.694 176.300 -0.019 0.000 1.076 433 D CA -0.327 53.676 54.000 0.005 0.000 0.849 433 D CB 1.151 41.961 40.800 0.017 0.000 1.052 433 D HN 0.363 nan 8.370 nan 0.000 0.515 434 E N 1.897 122.078 120.200 -0.032 0.000 2.409 434 E HA -0.161 4.218 4.350 0.049 0.000 0.198 434 E C 0.995 177.563 176.600 -0.054 0.000 1.024 434 E CA 0.928 57.269 56.400 -0.098 0.000 0.861 434 E CB -0.423 29.203 29.700 -0.123 0.000 0.788 434 E HN 0.458 nan 8.360 nan 0.000 0.521 435 T N -1.415 113.134 114.554 -0.008 0.000 3.044 435 T HA 0.031 4.411 4.350 0.049 0.000 0.250 435 T C 1.967 176.684 174.700 0.028 0.000 1.081 435 T CA 0.638 62.742 62.100 0.008 0.000 1.040 435 T CB -0.055 68.819 68.868 0.010 0.000 0.962 435 T HN 0.202 nan 8.240 nan 0.000 0.506 436 S N 1.595 117.321 115.700 0.043 0.000 2.399 436 S HA 0.055 4.554 4.470 0.049 0.000 0.231 436 S C 0.785 175.434 174.600 0.082 0.000 1.022 436 S CA 0.580 58.820 58.200 0.067 0.000 0.983 436 S CB -0.943 62.312 63.200 0.092 0.000 0.803 436 S HN 0.858 nan 8.310 nan 0.000 0.480 437 V N -0.823 119.155 119.914 0.107 0.000 3.114 437 V HA 0.764 4.913 4.120 0.049 0.000 0.308 437 V C -0.040 176.122 176.094 0.112 0.000 1.168 437 V CA -0.826 61.542 62.300 0.114 0.000 1.015 437 V CB 1.349 33.267 31.823 0.159 0.000 1.050 437 V HN 0.406 nan 8.190 nan 0.000 0.433 438 S N 1.393 117.163 115.700 0.117 0.000 2.573 438 S HA 0.370 4.869 4.470 0.049 0.000 0.277 438 S C 1.514 176.218 174.600 0.174 0.000 1.346 438 S CA 0.268 58.544 58.200 0.126 0.000 1.034 438 S CB 0.883 64.164 63.200 0.135 0.000 0.879 438 S HN 1.996 nan 8.310 nan 0.000 0.528 439 G N 1.200 110.094 108.800 0.158 0.000 2.513 439 G HA2 -0.301 3.688 3.960 0.049 0.000 0.219 439 G HA3 -0.301 3.688 3.960 0.049 0.000 0.219 439 G C 1.077 176.193 174.900 0.360 0.000 1.160 439 G CA 1.331 46.566 45.100 0.225 0.000 0.767 439 G HN 0.923 nan 8.290 nan 0.000 0.571 440 Y N 1.152 121.568 120.300 0.192 0.000 2.097 440 Y HA -0.131 4.448 4.550 0.048 0.000 0.282 440 Y C 2.701 178.701 175.900 0.166 0.000 1.152 440 Y CA 1.832 60.037 58.100 0.174 0.000 1.136 440 Y CB -0.176 38.342 38.460 0.098 0.000 0.975 440 Y HN 0.189 nan 8.280 nan 0.000 0.498 441 I N -0.849 119.950 120.570 0.382 0.000 2.286 441 I HA -0.317 3.882 4.170 0.049 0.000 0.248 441 I C 2.173 178.364 176.117 0.124 0.000 1.115 441 I CA 1.576 63.017 61.300 0.235 0.000 1.392 441 I CB -0.611 37.499 38.000 0.184 0.000 1.065 441 I HN 0.346 nan 8.210 nan 0.000 0.418 442 Y N 1.610 121.930 120.300 0.033 0.000 2.097 442 Y HA -0.344 4.235 4.550 0.048 0.000 0.282 442 Y C 2.634 178.415 175.900 -0.198 0.000 1.152 442 Y CA 2.103 60.177 58.100 -0.043 0.000 1.136 442 Y CB -0.500 37.857 38.460 -0.170 0.000 0.975 442 Y HN 0.169 nan 8.280 nan 0.000 0.498 443 H N -0.838 118.273 119.070 0.068 0.000 2.389 443 H HA -0.078 4.508 4.556 0.049 0.000 0.299 443 H C 2.132 177.287 175.328 -0.289 0.000 1.081 443 H CA 1.624 57.602 56.048 -0.117 0.000 1.345 443 H CB -0.044 29.804 29.762 0.142 0.000 1.393 443 H HN 0.141 nan 8.280 nan 0.000 0.520 444 K N 0.888 121.190 120.400 -0.163 0.000 2.026 444 K HA -0.064 4.285 4.320 0.049 0.000 0.208 444 K C 1.893 178.407 176.600 -0.143 0.000 1.048 444 K CA 0.905 57.078 56.287 -0.190 0.000 0.929 444 K CB -0.315 32.049 32.500 -0.227 0.000 0.713 444 K HN 0.202 nan 8.250 nan 0.000 0.439 445 L N 0.273 121.404 121.223 -0.154 0.000 2.083 445 L HA -0.148 4.221 4.340 0.049 0.000 0.209 445 L C 1.872 178.648 176.870 -0.156 0.000 1.083 445 L CA 0.985 55.727 54.840 -0.162 0.000 0.752 445 L CB -0.293 41.627 42.059 -0.232 0.000 0.899 445 L HN 0.208 nan 8.230 nan 0.000 0.433 446 L N -0.526 120.518 121.223 -0.298 0.000 2.599 446 L HA 0.113 4.482 4.340 0.049 0.000 0.230 446 L C 1.335 178.147 176.870 -0.096 0.000 1.141 446 L CA 0.529 55.226 54.840 -0.239 0.000 0.877 446 L CB -0.424 41.235 42.059 -0.667 0.000 1.009 446 L HN 0.502 nan 8.230 nan 0.000 0.447 447 G N -0.285 108.459 108.800 -0.093 0.000 2.132 447 G HA2 -0.250 3.740 3.960 0.049 0.000 0.228 447 G HA3 -0.250 3.740 3.960 0.049 0.000 0.228 447 G C 0.069 175.048 174.900 0.132 0.000 1.000 447 G CA -0.219 44.905 45.100 0.040 0.000 0.693 447 G HN 0.530 nan 8.290 nan 0.000 0.515 448 H N -0.021 119.079 119.070 0.049 0.000 2.607 448 H HA 0.420 5.006 4.556 0.049 0.000 0.367 448 H C 0.519 175.846 175.328 -0.002 0.000 1.181 448 H CA -0.324 55.752 56.048 0.048 0.000 1.402 448 H CB 0.975 30.808 29.762 0.118 0.000 1.474 448 H HN 0.310 nan 8.280 nan 0.000 0.596 449 E N 1.790 122.061 120.200 0.118 0.000 2.324 449 E HA 0.151 4.530 4.350 0.049 0.000 0.271 449 E C -1.264 175.334 176.600 -0.003 0.000 1.028 449 E CA -0.345 56.076 56.400 0.035 0.000 0.890 449 E CB 0.476 30.185 29.700 0.014 0.000 1.004 449 E HN 0.235 nan 8.360 nan 0.000 0.431 450 V N 4.227 124.117 119.914 -0.040 0.000 2.686 450 V HA 0.201 4.350 4.120 0.049 0.000 0.306 450 V C -0.179 175.910 176.094 -0.009 0.000 1.065 450 V CA -1.009 61.235 62.300 -0.093 0.000 0.894 450 V CB 1.645 33.272 31.823 -0.327 0.000 1.004 450 V HN 0.758 nan 8.190 nan 0.000 0.424 451 E N 2.680 122.907 120.200 0.044 0.000 2.373 451 E HA 0.108 4.487 4.350 0.049 0.000 0.267 451 E C -0.453 176.262 176.600 0.193 0.000 1.032 451 E CA -0.553 55.901 56.400 0.091 0.000 0.889 451 E CB 0.670 30.412 29.700 0.069 0.000 0.984 451 E HN 0.697 nan 8.360 nan 0.000 0.425 452 D N 2.312 122.804 120.400 0.154 0.000 2.488 452 D HA 0.068 4.737 4.640 0.049 0.000 0.238 452 D C -0.747 175.622 176.300 0.114 0.000 1.138 452 D CA 0.332 54.428 54.000 0.161 0.000 0.873 452 D CB 1.168 42.021 40.800 0.087 0.000 1.183 452 D HN 0.081 nan 8.370 nan 0.000 0.458 453 V N 3.801 123.741 119.914 0.044 0.000 2.588 453 V HA 0.251 4.400 4.120 0.049 0.000 0.304 453 V C 0.199 176.238 176.094 -0.093 0.000 1.042 453 V CA -0.925 61.346 62.300 -0.049 0.000 0.877 453 V CB 2.271 33.999 31.823 -0.158 0.000 0.996 453 V HN 0.359 nan 8.190 nan 0.000 0.425 454 I N 5.098 125.633 120.570 -0.058 0.000 2.342 454 I HA 0.305 4.505 4.170 0.049 0.000 0.291 454 I C 0.231 176.304 176.117 -0.073 0.000 1.010 454 I CA -0.330 60.934 61.300 -0.060 0.000 1.308 454 I CB 1.465 39.446 38.000 -0.032 0.000 1.400 454 I HN 0.370 nan 8.210 nan 0.000 0.488 455 I N 6.853 127.372 120.570 -0.084 0.000 2.588 455 I HA 0.026 4.225 4.170 0.049 0.000 0.283 455 I C 1.182 177.271 176.117 -0.048 0.000 1.119 455 I CA -0.033 61.223 61.300 -0.074 0.000 1.419 455 I CB 0.357 38.312 38.000 -0.075 0.000 1.394 455 I HN 0.414 nan 8.210 nan 0.000 0.562 456 K N 5.075 125.450 120.400 -0.040 0.000 3.226 456 K HA 0.125 4.474 4.320 0.049 0.000 0.268 456 K C 0.222 176.804 176.600 -0.029 0.000 1.217 456 K CA -0.226 56.043 56.287 -0.030 0.000 1.242 456 K CB -0.229 32.256 32.500 -0.025 0.000 1.389 456 K HN 0.702 nan 8.250 nan 0.000 0.406 457 C N -0.809 118.472 119.300 -0.031 0.000 2.347 457 C HA 0.327 4.816 4.460 0.049 0.000 0.366 457 C C 0.205 175.175 174.990 -0.034 0.000 1.241 457 C CA -0.805 58.195 59.018 -0.031 0.000 2.360 457 C CB 0.921 28.644 27.740 -0.028 0.000 2.290 457 C HN 0.572 nan 8.230 nan 0.000 0.587 458 Q N 1.334 121.109 119.800 -0.042 0.000 2.290 458 Q HA 0.521 4.890 4.340 0.049 0.000 0.259 458 Q C -0.937 175.014 176.000 -0.082 0.000 0.941 458 Q CA -0.405 55.366 55.803 -0.053 0.000 0.912 458 Q CB 1.039 29.745 28.738 -0.054 0.000 1.244 458 Q HN 0.838 nan 8.270 nan 0.000 0.441 459 L N 6.020 127.190 121.223 -0.089 0.000 2.426 459 L HA 0.321 4.690 4.340 0.049 0.000 0.271 459 L C -1.678 175.025 176.870 -0.277 0.000 1.169 459 L CA -1.581 53.164 54.840 -0.158 0.000 0.836 459 L CB 0.066 42.084 42.059 -0.069 0.000 1.112 459 L HN 0.564 nan 8.230 nan 0.000 0.465 460 P HA 0.166 nan 4.420 nan 0.000 0.274 460 P C -0.346 176.648 177.300 -0.511 0.000 1.256 460 P CA -0.505 62.322 63.100 -0.455 0.000 0.795 460 P CB 1.036 32.400 31.700 -0.561 0.000 1.038 461 K N 0.117 120.337 120.400 -0.300 0.000 2.021 461 K HA 0.050 4.400 4.320 0.049 0.000 0.205 461 K C 1.003 177.463 176.600 -0.234 0.000 1.047 461 K CA 0.930 57.091 56.287 -0.211 0.000 0.943 461 K CB 0.041 32.482 32.500 -0.098 0.000 0.725 461 K HN 0.326 nan 8.250 nan 0.000 0.439 462 R N 0.630 121.018 120.500 -0.186 0.000 2.343 462 R HA 0.215 4.584 4.340 0.049 0.000 0.320 462 R C 0.278 176.522 176.300 -0.094 0.000 0.956 462 R CA -0.309 55.740 56.100 -0.083 0.000 0.836 462 R CB 0.817 31.129 30.300 0.021 0.000 1.151 462 R HN 0.072 nan 8.270 nan 0.000 0.450 463 F N 0.358 120.348 119.950 0.066 0.000 2.234 463 F HA -0.082 4.474 4.527 0.048 0.000 0.299 463 F C 1.430 177.397 175.800 0.278 0.000 1.087 463 F CA 0.757 58.828 58.000 0.118 0.000 1.340 463 F CB 0.049 39.077 39.000 0.047 0.000 1.031 463 F HN 0.319 nan 8.300 nan 0.000 0.500 464 T N 1.742 116.475 114.554 0.299 0.000 2.908 464 T HA 0.296 4.675 4.350 0.049 0.000 0.301 464 T C 0.361 175.093 174.700 0.054 0.000 1.019 464 T CA -0.120 62.066 62.100 0.144 0.000 1.152 464 T CB 0.414 69.327 68.868 0.074 0.000 0.966 464 T HN 0.228 nan 8.240 nan 0.000 0.540 465 A N 3.888 126.626 122.820 -0.137 0.000 2.286 465 A HA 0.465 4.814 4.320 0.049 0.000 0.286 465 A C 0.508 177.812 177.584 -0.466 0.000 1.097 465 A CA -0.918 50.779 52.037 -0.567 0.000 0.821 465 A CB 0.311 18.738 19.000 -0.956 0.000 1.076 465 A HN 0.881 nan 8.150 nan 0.000 0.490 466 Q N 0.364 119.821 119.800 -0.571 0.000 2.373 466 Q HA 0.452 4.821 4.340 0.049 0.000 0.255 466 Q C 0.773 176.595 176.000 -0.297 0.000 0.980 466 Q CA 0.057 55.682 55.803 -0.297 0.000 0.882 466 Q CB 0.518 29.154 28.738 -0.171 0.000 1.249 466 Q HN 1.990 nan 8.270 nan 0.000 0.438 467 G N 1.745 110.440 108.800 -0.176 0.000 2.225 467 G HA2 -0.251 3.738 3.960 0.049 0.000 0.254 467 G HA3 -0.251 3.738 3.960 0.049 0.000 0.254 467 G C -0.104 174.718 174.900 -0.130 0.000 0.988 467 G CA 0.206 45.220 45.100 -0.143 0.000 0.625 467 G HN 0.523 nan 8.290 nan 0.000 0.527 468 L N 1.959 123.090 121.223 -0.153 0.000 2.342 468 L HA 0.565 4.934 4.340 0.049 0.000 0.271 468 L C -1.692 175.122 176.870 -0.094 0.000 1.008 468 L CA -2.332 52.434 54.840 -0.122 0.000 0.818 468 L CB 1.895 43.868 42.059 -0.144 0.000 1.296 468 L HN -0.032 nan 8.230 nan 0.000 0.427 469 P HA 0.081 nan 4.420 nan 0.000 0.272 469 P C -1.166 176.102 177.300 -0.053 0.000 1.230 469 P CA -0.497 62.563 63.100 -0.067 0.000 0.788 469 P CB 0.517 32.168 31.700 -0.082 0.000 0.949 470 D N 1.058 121.440 120.400 -0.029 0.000 2.493 470 D HA 0.056 4.725 4.640 0.049 0.000 0.240 470 D C 0.537 176.840 176.300 0.004 0.000 1.142 470 D CA 0.254 54.256 54.000 0.002 0.000 0.872 470 D CB -0.019 40.793 40.800 0.020 0.000 1.173 470 D HN 0.106 nan 8.370 nan 0.000 0.467 471 L N 2.760 124.002 121.223 0.031 0.000 2.473 471 L HA 0.074 4.444 4.340 0.049 0.000 0.268 471 L C 1.023 177.927 176.870 0.056 0.000 1.215 471 L CA -0.063 54.797 54.840 0.033 0.000 0.823 471 L CB -0.066 42.026 42.059 0.054 0.000 1.099 471 L HN 0.448 nan 8.230 nan 0.000 0.483 472 N N -0.373 118.364 118.700 0.061 0.000 2.448 472 N HA 0.112 4.881 4.740 0.049 0.000 0.274 472 N C 1.010 176.549 175.510 0.048 0.000 1.239 472 N CA -0.066 53.041 53.050 0.096 0.000 0.982 472 N CB -0.009 38.568 38.487 0.149 0.000 1.199 472 N HN 0.667 nan 8.380 nan 0.000 0.576 473 H N -1.836 117.255 119.070 0.035 0.000 2.352 473 H HA -0.092 4.493 4.556 0.049 0.000 0.299 473 H C 1.337 176.681 175.328 0.026 0.000 1.097 473 H CA 1.957 58.014 56.048 0.015 0.000 1.311 473 H CB -0.617 29.142 29.762 -0.004 0.000 1.377 473 H HN 0.534 nan 8.280 nan 0.000 0.504 474 S N 0.600 115.812 115.700 -0.814 0.000 2.356 474 S HA -0.168 4.331 4.470 0.049 0.000 0.223 474 S C 2.227 176.752 174.600 -0.124 0.000 1.032 474 S CA 1.468 59.366 58.200 -0.504 0.000 1.005 474 S CB -0.112 62.760 63.200 -0.547 0.000 0.867 474 S HN 0.614 nan 8.310 nan 0.000 0.449 475 Q N -0.020 119.720 119.800 -0.100 0.000 2.079 475 Q HA -0.028 4.341 4.340 0.049 0.000 0.200 475 Q C 2.288 178.268 176.000 -0.033 0.000 0.974 475 Q CA 1.497 57.283 55.803 -0.028 0.000 0.840 475 Q CB -0.258 28.475 28.738 -0.008 0.000 0.898 475 Q HN 0.404 nan 8.270 nan 0.000 0.430 476 V N 0.374 120.254 119.914 -0.056 0.000 2.255 476 V HA -0.307 3.842 4.120 0.049 0.000 0.247 476 V C 1.972 177.911 176.094 -0.259 0.000 1.051 476 V CA 2.094 64.286 62.300 -0.180 0.000 1.018 476 V CB -0.687 31.030 31.823 -0.177 0.000 0.641 476 V HN 0.412 nan 8.190 nan 0.000 0.445 477 Y N 1.310 121.476 120.300 -0.223 0.000 2.193 477 Y HA -0.291 4.288 4.550 0.049 0.000 0.285 477 Y C 2.302 178.120 175.900 -0.138 0.000 1.166 477 Y CA 1.756 59.750 58.100 -0.177 0.000 1.181 477 Y CB -0.503 37.899 38.460 -0.097 0.000 0.976 477 Y HN 0.166 nan 8.280 nan 0.000 0.520 478 A N -0.531 122.250 122.820 -0.066 0.000 1.858 478 A HA -0.151 4.198 4.320 0.049 0.000 0.216 478 A C 2.350 179.849 177.584 -0.140 0.000 1.190 478 A CA 2.105 54.088 52.037 -0.091 0.000 0.617 478 A CB -1.358 17.652 19.000 0.016 0.000 0.827 478 A HN 0.327 nan 8.150 nan 0.000 0.443 479 V N 0.355 120.209 119.914 -0.101 0.000 2.255 479 V HA -0.300 3.850 4.120 0.049 0.000 0.247 479 V C 2.563 178.612 176.094 -0.075 0.000 1.051 479 V CA 2.489 64.773 62.300 -0.026 0.000 1.018 479 V CB -0.724 31.148 31.823 0.083 0.000 0.641 479 V HN 0.685 nan 8.190 nan 0.000 0.445 480 K N -0.413 119.823 120.400 -0.273 0.000 2.044 480 K HA -0.226 4.123 4.320 0.049 0.000 0.210 480 K C 2.215 178.701 176.600 -0.190 0.000 1.049 480 K CA 2.200 58.346 56.287 -0.236 0.000 0.927 480 K CB -0.354 31.843 32.500 -0.505 0.000 0.713 480 K HN 0.501 nan 8.250 nan 0.000 0.443 481 T N 0.333 114.683 114.554 -0.340 0.000 2.737 481 T HA -0.097 4.282 4.350 0.049 0.000 0.265 481 T C 1.773 176.374 174.700 -0.164 0.000 1.038 481 T CA 1.285 63.193 62.100 -0.320 0.000 1.144 481 T CB -0.068 68.480 68.868 -0.534 0.000 0.866 481 T HN 0.006 nan 8.240 nan 0.000 0.434 482 V N 1.309 121.147 119.914 -0.127 0.000 2.626 482 V HA -0.007 4.143 4.120 0.049 0.000 0.252 482 V C 2.257 178.329 176.094 -0.036 0.000 1.067 482 V CA 1.179 63.442 62.300 -0.063 0.000 1.081 482 V CB -0.469 31.336 31.823 -0.031 0.000 0.686 482 V HN 0.453 nan 8.190 nan 0.000 0.468 483 L N -0.730 120.481 121.223 -0.021 0.000 2.376 483 L HA -0.090 4.279 4.340 0.049 0.000 0.219 483 L C 2.053 178.908 176.870 -0.025 0.000 1.133 483 L CA 1.083 55.923 54.840 -0.001 0.000 0.816 483 L CB -0.249 41.828 42.059 0.031 0.000 0.933 483 L HN 0.389 nan 8.230 nan 0.000 0.449 484 Q N -0.436 119.338 119.800 -0.043 0.000 2.220 484 Q HA 0.187 4.556 4.340 0.049 0.000 0.205 484 Q C -0.049 175.906 176.000 -0.074 0.000 0.865 484 Q CA 0.011 55.783 55.803 -0.052 0.000 0.960 484 Q CB 0.749 29.459 28.738 -0.047 0.000 1.097 484 Q HN 0.329 nan 8.270 nan 0.000 0.493 485 R N 0.534 120.984 120.500 -0.084 0.000 2.686 485 R HA 0.222 4.592 4.340 0.049 0.000 0.283 485 R C -2.025 174.191 176.300 -0.139 0.000 0.978 485 R CA -1.841 54.190 56.100 -0.115 0.000 0.897 485 R CB 1.592 31.843 30.300 -0.082 0.000 1.192 485 R HN -0.161 nan 8.270 nan 0.000 0.457 486 P HA -0.063 nan 4.420 nan 0.000 0.225 486 P C -0.228 177.015 177.300 -0.095 0.000 1.156 486 P CA 0.945 63.900 63.100 -0.242 0.000 0.787 486 P CB 0.802 32.166 31.700 -0.560 0.000 0.802 487 L N -0.867 120.332 121.223 -0.040 0.000 2.562 487 L HA 0.413 4.782 4.340 0.049 0.000 0.266 487 L C -1.456 175.425 176.870 0.018 0.000 0.949 487 L CA -0.292 54.573 54.840 0.042 0.000 0.879 487 L CB 1.974 44.129 42.059 0.160 0.000 1.278 487 L HN -0.273 nan 8.230 nan 0.000 0.404 488 S N 5.118 120.814 115.700 -0.006 0.000 2.548 488 S HA 0.685 5.184 4.470 0.049 0.000 0.286 488 S C -0.981 173.599 174.600 -0.034 0.000 1.098 488 S CA -0.666 57.522 58.200 -0.020 0.000 0.930 488 S CB 2.238 65.427 63.200 -0.017 0.000 1.070 488 S HN 0.478 nan 8.310 nan 0.000 0.480 489 L N 2.636 123.815 121.223 -0.073 0.000 2.313 489 L HA 0.593 4.962 4.340 0.049 0.000 0.283 489 L C -0.991 175.924 176.870 0.075 0.000 1.013 489 L CA -0.567 54.213 54.840 -0.100 0.000 0.816 489 L CB 1.159 42.899 42.059 -0.532 0.000 1.236 489 L HN 0.533 nan 8.230 nan 0.000 0.419 490 I N 3.099 123.806 120.570 0.229 0.000 2.339 490 I HA 0.223 4.422 4.170 0.049 0.000 0.290 490 I C 0.072 176.390 176.117 0.335 0.000 0.994 490 I CA -0.351 61.079 61.300 0.217 0.000 1.191 490 I CB 1.875 39.953 38.000 0.130 0.000 1.343 490 I HN 0.636 nan 8.210 nan 0.000 0.458 491 Q N 5.124 125.115 119.800 0.318 0.000 2.294 491 Q HA 0.424 4.793 4.340 0.049 0.000 0.257 491 Q C -0.074 175.982 176.000 0.093 0.000 0.955 491 Q CA -0.465 55.502 55.803 0.272 0.000 0.936 491 Q CB 1.340 30.285 28.738 0.344 0.000 1.188 491 Q HN 0.851 nan 8.270 nan 0.000 0.420 492 G N 5.360 114.168 108.800 0.013 0.000 2.873 492 G HA2 0.416 4.405 3.960 0.049 0.000 0.340 492 G HA3 0.416 4.405 3.960 0.049 0.000 0.340 492 G C -2.739 172.088 174.900 -0.121 0.000 1.171 492 G CA -1.246 43.824 45.100 -0.049 0.000 1.113 492 G HN 0.508 nan 8.290 nan 0.000 0.471 493 P HA 0.193 nan 4.420 nan 0.000 0.272 493 P C -2.525 174.618 177.300 -0.260 0.000 1.240 493 P CA -1.420 61.422 63.100 -0.431 0.000 0.791 493 P CB 0.222 31.355 31.700 -0.943 0.000 0.978 494 P HA -0.059 nan 4.420 nan 0.000 0.259 494 P C 0.972 178.205 177.300 -0.111 0.000 1.163 494 P CA 1.880 64.909 63.100 -0.119 0.000 0.760 494 P CB -0.422 31.228 31.700 -0.083 0.000 0.762 495 G N 2.620 111.381 108.800 -0.065 0.000 2.159 495 G HA2 -0.288 3.702 3.960 0.049 0.000 0.256 495 G HA3 -0.288 3.702 3.960 0.049 0.000 0.256 495 G C 0.744 175.667 174.900 0.039 0.000 0.977 495 G CA 0.533 45.621 45.100 -0.020 0.000 0.652 495 G HN 0.631 nan 8.290 nan 0.000 0.531 496 T N -2.001 112.548 114.554 -0.007 0.000 3.144 496 T HA 0.466 4.845 4.350 0.049 0.000 0.249 496 T C 1.960 176.698 174.700 0.064 0.000 1.089 496 T CA 1.225 63.343 62.100 0.029 0.000 0.989 496 T CB 0.439 69.265 68.868 -0.069 0.000 0.992 496 T HN 2.177 nan 8.240 nan 0.000 0.540 497 G N 1.724 110.541 108.800 0.029 0.000 2.165 497 G HA2 -0.263 3.726 3.960 0.049 0.000 0.226 497 G HA3 -0.263 3.726 3.960 0.049 0.000 0.226 497 G C 0.641 175.529 174.900 -0.019 0.000 1.035 497 G CA 0.238 45.331 45.100 -0.013 0.000 0.744 497 G HN 0.523 nan 8.290 nan 0.000 0.501 498 K N -0.558 119.830 120.400 -0.019 0.000 2.034 498 K HA -0.152 4.197 4.320 0.049 0.000 0.214 498 K C 2.696 179.288 176.600 -0.014 0.000 1.051 498 K CA 2.301 58.579 56.287 -0.015 0.000 0.931 498 K CB -0.303 32.183 32.500 -0.023 0.000 0.715 498 K HN 0.428 nan 8.250 nan 0.000 0.446 499 T N 0.590 115.131 114.554 -0.022 0.000 2.737 499 T HA -0.119 4.260 4.350 0.049 0.000 0.265 499 T C 1.885 176.572 174.700 -0.022 0.000 1.038 499 T CA 1.225 63.313 62.100 -0.021 0.000 1.144 499 T CB -0.305 68.548 68.868 -0.025 0.000 0.866 499 T HN 0.043 nan 8.240 nan 0.000 0.434 500 V N 1.357 121.251 119.914 -0.034 0.000 2.407 500 V HA -0.193 3.956 4.120 0.049 0.000 0.248 500 V C 2.489 178.572 176.094 -0.018 0.000 1.055 500 V CA 2.230 64.507 62.300 -0.039 0.000 1.049 500 V CB -0.890 30.894 31.823 -0.064 0.000 0.662 500 V HN 0.561 nan 8.190 nan 0.000 0.455 501 T N -0.216 114.334 114.554 -0.007 0.000 2.737 501 T HA -0.135 4.245 4.350 0.049 0.000 0.265 501 T C 2.038 176.756 174.700 0.030 0.000 1.038 501 T CA 1.823 63.932 62.100 0.016 0.000 1.144 501 T CB -0.272 68.605 68.868 0.014 0.000 0.866 501 T HN 0.597 nan 8.240 nan 0.000 0.434 502 S N 1.705 117.417 115.700 0.019 0.000 2.368 502 S HA -0.032 4.468 4.470 0.049 0.000 0.225 502 S C 2.597 177.213 174.600 0.027 0.000 1.030 502 S CA 0.951 59.165 58.200 0.024 0.000 0.999 502 S CB -0.602 62.605 63.200 0.011 0.000 0.844 502 S HN 0.579 nan 8.310 nan 0.000 0.459 503 A N 1.532 124.359 122.820 0.012 0.000 1.902 503 A HA -0.123 4.227 4.320 0.049 0.000 0.217 503 A C 2.341 179.937 177.584 0.020 0.000 1.181 503 A CA 2.063 54.105 52.037 0.009 0.000 0.623 503 A CB -1.363 17.628 19.000 -0.015 0.000 0.818 503 A HN 0.478 nan 8.150 nan 0.000 0.443 504 T N 0.242 114.805 114.554 0.015 0.000 2.746 504 T HA -0.087 4.292 4.350 0.049 0.000 0.267 504 T C 1.783 176.557 174.700 0.122 0.000 1.039 504 T CA 1.539 63.657 62.100 0.028 0.000 1.142 504 T CB -0.400 68.511 68.868 0.070 0.000 0.866 504 T HN 0.420 nan 8.240 nan 0.000 0.444 505 I N 0.739 121.393 120.570 0.140 0.000 2.226 505 I HA -0.142 4.057 4.170 0.049 0.000 0.245 505 I C 2.435 178.629 176.117 0.128 0.000 1.100 505 I CA 0.879 62.281 61.300 0.169 0.000 1.374 505 I CB -0.370 37.693 38.000 0.106 0.000 1.057 505 I HN 0.074 nan 8.210 nan 0.000 0.413 506 V N 0.052 120.015 119.914 0.083 0.000 2.407 506 V HA -0.316 3.833 4.120 0.049 0.000 0.248 506 V C 2.266 178.394 176.094 0.056 0.000 1.055 506 V CA 1.860 64.195 62.300 0.059 0.000 1.049 506 V CB -0.806 31.042 31.823 0.041 0.000 0.662 506 V HN 0.443 nan 8.190 nan 0.000 0.455 507 Y N 0.723 120.965 120.300 -0.097 0.000 2.128 507 Y HA -0.283 4.296 4.550 0.048 0.000 0.284 507 Y C 2.704 178.502 175.900 -0.169 0.000 1.154 507 Y CA 2.166 60.161 58.100 -0.176 0.000 1.149 507 Y CB -0.338 37.943 38.460 -0.298 0.000 0.976 507 Y HN 0.373 nan 8.280 nan 0.000 0.505 508 H N -0.289 118.787 119.070 0.010 0.000 2.395 508 H HA -0.063 4.523 4.556 0.049 0.000 0.299 508 H C 2.420 177.689 175.328 -0.099 0.000 1.070 508 H CA 1.638 57.632 56.048 -0.091 0.000 1.356 508 H CB -0.444 29.346 29.762 0.045 0.000 1.401 508 H HN 0.392 nan 8.280 nan 0.000 0.524 509 L N 0.394 121.658 121.223 0.067 0.000 2.017 509 L HA -0.158 4.212 4.340 0.049 0.000 0.208 509 L C 2.903 179.756 176.870 -0.028 0.000 1.073 509 L CA 1.071 55.924 54.840 0.023 0.000 0.745 509 L CB -0.605 41.474 42.059 0.033 0.000 0.894 509 L HN 0.189 nan 8.230 nan 0.000 0.432 510 A N 0.216 122.999 122.820 -0.062 0.000 1.997 510 A HA -0.238 4.112 4.320 0.049 0.000 0.221 510 A C 2.242 179.751 177.584 -0.125 0.000 1.172 510 A CA 1.864 53.848 52.037 -0.088 0.000 0.645 510 A CB -0.517 18.417 19.000 -0.111 0.000 0.813 510 A HN 0.434 nan 8.150 nan 0.000 0.454 511 R N -0.842 119.551 120.500 -0.179 0.000 2.334 511 R HA 0.098 4.468 4.340 0.049 0.000 0.216 511 R C 1.312 177.556 176.300 -0.093 0.000 0.905 511 R CA 0.119 56.118 56.100 -0.169 0.000 1.064 511 R CB 0.172 30.308 30.300 -0.273 0.000 1.046 511 R HN 0.500 nan 8.270 nan 0.000 0.508 512 Q N -0.221 119.541 119.800 -0.063 0.000 2.369 512 Q HA 0.041 4.410 4.340 0.049 0.000 0.206 512 Q C 1.324 177.298 176.000 -0.043 0.000 0.963 512 Q CA 1.146 56.923 55.803 -0.043 0.000 0.894 512 Q CB 0.331 29.052 28.738 -0.028 0.000 0.965 512 Q HN 0.521 nan 8.270 nan 0.000 0.475 513 G N 1.702 110.473 108.800 -0.048 0.000 2.179 513 G HA2 -0.239 3.750 3.960 0.049 0.000 0.260 513 G HA3 -0.239 3.750 3.960 0.049 0.000 0.260 513 G C 0.197 175.075 174.900 -0.037 0.000 0.977 513 G CA 0.264 45.337 45.100 -0.045 0.000 0.641 513 G HN 0.321 nan 8.290 nan 0.000 0.533 514 N N 1.969 120.650 118.700 -0.031 0.000 3.243 514 N HA 0.463 5.232 4.740 0.049 0.000 0.310 514 N C 1.224 176.713 175.510 -0.035 0.000 1.313 514 N CA 1.330 54.361 53.050 -0.031 0.000 1.204 514 N CB -0.260 38.213 38.487 -0.024 0.000 1.483 514 N HN 1.590 nan 8.380 nan 0.000 0.553 515 G N 1.229 110.004 108.800 -0.042 0.000 2.828 515 G HA2 -0.219 3.770 3.960 0.049 0.000 0.463 515 G HA3 -0.219 3.770 3.960 0.049 0.000 0.463 515 G C -2.877 172.015 174.900 -0.013 0.000 1.394 515 G CA -1.128 43.940 45.100 -0.054 0.000 0.862 515 G HN 0.258 nan 8.290 nan 0.000 0.540 516 P HA 0.447 nan 4.420 nan 0.000 0.271 516 P C 0.244 177.668 177.300 0.206 0.000 1.216 516 P CA -0.504 62.658 63.100 0.104 0.000 0.776 516 P CB 1.020 32.819 31.700 0.166 0.000 0.881 517 V N 3.767 123.762 119.914 0.135 0.000 2.686 517 V HA 0.082 4.231 4.120 0.049 0.000 0.295 517 V C 0.530 176.677 176.094 0.087 0.000 1.055 517 V CA -0.246 62.124 62.300 0.117 0.000 1.050 517 V CB 0.815 32.666 31.823 0.047 0.000 0.984 517 V HN 0.385 nan 8.190 nan 0.000 0.482 518 L N 6.040 127.256 121.223 -0.012 0.000 2.264 518 L HA 0.563 4.933 4.340 0.049 0.000 0.289 518 L C -0.378 176.390 176.870 -0.170 0.000 1.044 518 L CA 0.343 55.010 54.840 -0.287 0.000 0.807 518 L CB 1.430 43.084 42.059 -0.676 0.000 1.192 518 L HN 0.452 nan 8.230 nan 0.000 0.425 519 V N 4.974 124.798 119.914 -0.151 0.000 2.444 519 V HA 0.556 4.705 4.120 0.049 0.000 0.294 519 V C -0.380 175.646 176.094 -0.112 0.000 1.022 519 V CA -0.430 61.811 62.300 -0.099 0.000 0.850 519 V CB 1.357 33.144 31.823 -0.060 0.000 0.992 519 V HN 0.939 nan 8.190 nan 0.000 0.426 520 C N 3.130 122.371 119.300 -0.098 0.000 3.108 520 C HA 1.052 5.541 4.460 0.049 0.000 0.321 520 C C 0.194 175.142 174.990 -0.070 0.000 1.357 520 C CA -0.690 58.270 59.018 -0.096 0.000 1.562 520 C CB 1.746 29.419 27.740 -0.113 0.000 2.003 520 C HN 1.071 nan 8.230 nan 0.000 0.460 521 A N 0.592 123.371 122.820 -0.069 0.000 2.605 521 A HA 0.754 5.103 4.320 0.049 0.000 0.294 521 A C -2.691 174.857 177.584 -0.061 0.000 1.062 521 A CA -0.698 51.305 52.037 -0.057 0.000 0.682 521 A CB 0.541 19.511 19.000 -0.049 0.000 1.278 521 A HN 0.448 nan 8.150 nan 0.000 0.410 522 P HA -0.055 nan 4.420 nan 0.000 0.219 522 P C 0.631 177.898 177.300 -0.055 0.000 1.146 522 P CA 1.919 64.985 63.100 -0.057 0.000 0.808 522 P CB 0.107 31.779 31.700 -0.047 0.000 0.779 523 S N -2.338 113.333 115.700 -0.048 0.000 2.566 523 S HA 0.336 4.836 4.470 0.049 0.000 0.298 523 S C 0.743 175.318 174.600 -0.042 0.000 1.083 523 S CA -0.739 57.436 58.200 -0.043 0.000 0.978 523 S CB 1.230 64.409 63.200 -0.034 0.000 1.073 523 S HN -0.181 nan 8.310 nan 0.000 0.491 524 N N 0.834 119.510 118.700 -0.039 0.000 2.166 524 N HA -0.022 4.747 4.740 0.049 0.000 0.186 524 N C 1.526 177.017 175.510 -0.032 0.000 1.019 524 N CA 1.240 54.268 53.050 -0.037 0.000 0.856 524 N CB -0.361 38.106 38.487 -0.033 0.000 0.993 524 N HN 0.701 nan 8.380 nan 0.000 0.426 525 I N 0.488 121.042 120.570 -0.027 0.000 2.286 525 I HA -0.236 3.963 4.170 0.049 0.000 0.248 525 I C 2.018 178.121 176.117 -0.024 0.000 1.115 525 I CA 0.831 62.118 61.300 -0.022 0.000 1.392 525 I CB -0.025 37.965 38.000 -0.018 0.000 1.065 525 I HN 0.151 nan 8.210 nan 0.000 0.418 526 A N -0.474 122.328 122.820 -0.029 0.000 1.930 526 A HA -0.116 4.234 4.320 0.049 0.000 0.217 526 A C 2.309 179.872 177.584 -0.035 0.000 1.175 526 A CA 1.698 53.717 52.037 -0.031 0.000 0.627 526 A CB -0.917 18.062 19.000 -0.035 0.000 0.815 526 A HN 0.308 nan 8.150 nan 0.000 0.443 527 V N 0.598 120.488 119.914 -0.041 0.000 2.307 527 V HA -0.234 3.915 4.120 0.049 0.000 0.245 527 V C 2.188 178.255 176.094 -0.045 0.000 1.045 527 V CA 2.328 64.599 62.300 -0.048 0.000 1.024 527 V CB -0.858 30.931 31.823 -0.057 0.000 0.651 527 V HN 0.485 nan 8.190 nan 0.000 0.449 528 D N -0.343 120.032 120.400 -0.041 0.000 2.116 528 D HA -0.227 4.442 4.640 0.049 0.000 0.193 528 D C 2.289 178.573 176.300 -0.026 0.000 0.998 528 D CA 1.478 55.455 54.000 -0.038 0.000 0.836 528 D CB -0.245 40.538 40.800 -0.028 0.000 0.951 528 D HN 0.485 nan 8.370 nan 0.000 0.449 529 Q N -0.637 119.151 119.800 -0.021 0.000 2.050 529 Q HA -0.119 4.250 4.340 0.049 0.000 0.202 529 Q C 2.039 178.031 176.000 -0.013 0.000 0.980 529 Q CA 0.694 56.489 55.803 -0.014 0.000 0.840 529 Q CB -0.133 28.596 28.738 -0.015 0.000 0.898 529 Q HN 0.158 nan 8.270 nan 0.000 0.424 530 L N 0.053 121.264 121.223 -0.020 0.000 2.093 530 L HA -0.148 4.221 4.340 0.049 0.000 0.208 530 L C 2.117 178.979 176.870 -0.013 0.000 1.085 530 L CA 1.891 56.720 54.840 -0.017 0.000 0.755 530 L CB -0.907 41.137 42.059 -0.024 0.000 0.904 530 L HN 0.205 nan 8.230 nan 0.000 0.435 531 T N -0.883 113.656 114.554 -0.026 0.000 2.720 531 T HA -0.246 4.133 4.350 0.049 0.000 0.268 531 T C 1.775 176.474 174.700 -0.002 0.000 1.037 531 T CA 1.690 63.770 62.100 -0.034 0.000 1.144 531 T CB -0.082 68.739 68.868 -0.079 0.000 0.864 531 T HN 0.438 nan 8.240 nan 0.000 0.444 532 E N 0.606 120.810 120.200 0.006 0.000 2.077 532 E HA -0.153 4.226 4.350 0.049 0.000 0.193 532 E C 2.242 178.895 176.600 0.088 0.000 0.989 532 E CA 0.892 57.328 56.400 0.059 0.000 0.800 532 E CB 0.091 29.822 29.700 0.051 0.000 0.746 532 E HN 0.236 nan 8.360 nan 0.000 0.452 533 K N 0.390 120.813 120.400 0.039 0.000 2.026 533 K HA -0.134 4.215 4.320 0.049 0.000 0.208 533 K C 2.261 178.873 176.600 0.020 0.000 1.048 533 K CA 1.060 57.358 56.287 0.018 0.000 0.929 533 K CB -0.305 32.190 32.500 -0.008 0.000 0.713 533 K HN 0.290 nan 8.250 nan 0.000 0.439 534 I N 0.580 121.169 120.570 0.032 0.000 2.163 534 I HA -0.321 3.879 4.170 0.049 0.000 0.243 534 I C 2.692 178.844 176.117 0.058 0.000 1.085 534 I CA 1.296 62.618 61.300 0.037 0.000 1.347 534 I CB -0.488 37.536 38.000 0.039 0.000 1.044 534 I HN 0.339 nan 8.210 nan 0.000 0.408 535 H N 1.556 120.625 119.070 -0.002 0.000 2.426 535 H HA -0.199 4.388 4.556 0.051 0.000 0.298 535 H C 1.965 177.311 175.328 0.029 0.000 1.107 535 H CA 1.534 57.593 56.048 0.018 0.000 1.298 535 H CB 0.139 29.918 29.762 0.030 0.000 1.377 535 H HN 0.492 nan 8.280 nan 0.000 0.519 536 Q N -0.075 119.700 119.800 -0.042 0.000 2.291 536 Q HA -0.094 4.275 4.340 0.049 0.000 0.206 536 Q C 2.128 178.035 176.000 -0.156 0.000 0.976 536 Q CA 1.672 57.412 55.803 -0.104 0.000 0.875 536 Q CB -0.129 28.584 28.738 -0.042 0.000 0.927 536 Q HN 0.592 nan 8.270 nan 0.000 0.450 537 T N -3.585 110.883 114.554 -0.143 0.000 3.113 537 T HA 0.218 4.597 4.350 0.049 0.000 0.256 537 T C 1.368 176.029 174.700 -0.066 0.000 1.131 537 T CA 0.690 62.692 62.100 -0.162 0.000 1.074 537 T CB 0.372 69.119 68.868 -0.202 0.000 0.944 537 T HN 0.439 nan 8.240 nan 0.000 0.516 538 G N 0.937 109.666 108.800 -0.119 0.000 2.157 538 G HA2 -0.190 3.799 3.960 0.049 0.000 0.239 538 G HA3 -0.190 3.799 3.960 0.049 0.000 0.239 538 G C -0.055 174.831 174.900 -0.024 0.000 0.982 538 G CA 0.031 45.069 45.100 -0.104 0.000 0.650 538 G HN 0.616 nan 8.290 nan 0.000 0.527 539 L N 0.166 121.402 121.223 0.022 0.000 2.464 539 L HA 0.314 4.684 4.340 0.049 0.000 0.264 539 L C 1.077 177.971 176.870 0.039 0.000 1.199 539 L CA -0.186 54.677 54.840 0.039 0.000 0.818 539 L CB 0.440 42.536 42.059 0.062 0.000 1.102 539 L HN 0.033 nan 8.230 nan 0.000 0.473 540 K N 1.801 122.222 120.400 0.034 0.000 2.278 540 K HA 0.257 4.606 4.320 0.049 0.000 0.289 540 K C -1.013 175.608 176.600 0.035 0.000 1.080 540 K CA -0.239 56.073 56.287 0.041 0.000 0.934 540 K CB 0.515 33.029 32.500 0.023 0.000 1.093 540 K HN 0.235 nan 8.250 nan 0.000 0.459 541 V N 3.808 123.749 119.914 0.046 0.000 2.435 541 V HA 0.267 4.417 4.120 0.049 0.000 0.290 541 V C -0.060 176.004 176.094 -0.050 0.000 1.030 541 V CA -0.938 61.365 62.300 0.005 0.000 0.881 541 V CB 1.789 33.620 31.823 0.013 0.000 0.983 541 V HN 0.337 nan 8.190 nan 0.000 0.445 542 V N 5.154 125.037 119.914 -0.051 0.000 2.409 542 V HA 0.513 4.663 4.120 0.049 0.000 0.291 542 V C 0.112 176.152 176.094 -0.090 0.000 1.020 542 V CA -0.836 61.417 62.300 -0.078 0.000 0.848 542 V CB 1.743 33.540 31.823 -0.043 0.000 0.990 542 V HN 0.704 nan 8.190 nan 0.000 0.430 543 R N 3.831 124.252 120.500 -0.131 0.000 2.196 543 R HA 0.426 4.795 4.340 0.049 0.000 0.340 543 R C -0.981 175.267 176.300 -0.086 0.000 1.043 543 R CA -0.680 55.348 56.100 -0.120 0.000 0.883 543 R CB 0.941 31.144 30.300 -0.161 0.000 1.078 543 R HN 0.635 nan 8.270 nan 0.000 0.462 544 L N 5.464 126.650 121.223 -0.062 0.000 2.292 544 L HA 0.413 4.783 4.340 0.049 0.000 0.284 544 L C -0.445 176.410 176.870 -0.024 0.000 1.065 544 L CA -0.119 54.701 54.840 -0.033 0.000 0.806 544 L CB 0.786 42.825 42.059 -0.035 0.000 1.175 544 L HN 0.830 nan 8.230 nan 0.000 0.431 545 C N 2.559 121.867 119.300 0.013 0.000 3.213 545 C HA 0.956 5.446 4.460 0.049 0.000 0.319 545 C C 0.488 175.469 174.990 -0.016 0.000 1.386 545 C CA -0.771 58.246 59.018 -0.002 0.000 1.494 545 C CB 0.764 28.514 27.740 0.017 0.000 1.905 545 C HN 1.143 nan 8.230 nan 0.000 0.456 546 A N 0.779 123.572 122.820 -0.046 0.000 2.483 546 A HA 0.302 4.651 4.320 0.049 0.000 0.238 546 A C 1.369 178.894 177.584 -0.098 0.000 1.070 546 A CA 0.175 52.173 52.037 -0.066 0.000 0.770 546 A CB 0.105 19.061 19.000 -0.073 0.000 1.008 546 A HN 1.118 nan 8.150 nan 0.000 0.497 547 K N 1.125 121.467 120.400 -0.096 0.000 2.147 547 K HA -0.152 4.198 4.320 0.049 0.000 0.205 547 K C 1.849 178.324 176.600 -0.209 0.000 1.049 547 K CA 1.908 58.114 56.287 -0.135 0.000 0.936 547 K CB -0.147 32.305 32.500 -0.079 0.000 0.722 547 K HN 0.839 nan 8.250 nan 0.000 0.446 548 S N 0.105 115.690 115.700 -0.192 0.000 2.515 548 S HA -0.025 4.475 4.470 0.049 0.000 0.231 548 S C 1.302 175.687 174.600 -0.358 0.000 0.987 548 S CA 0.283 58.283 58.200 -0.333 0.000 0.936 548 S CB -0.097 63.037 63.200 -0.109 0.000 0.766 548 S HN 0.316 nan 8.310 nan 0.000 0.528 549 R N 0.707 121.074 120.500 -0.221 0.000 2.468 549 R HA 0.290 4.659 4.340 0.049 0.000 0.280 549 R C 0.855 177.057 176.300 -0.163 0.000 0.963 549 R CA 0.001 56.007 56.100 -0.158 0.000 1.083 549 R CB -0.001 30.250 30.300 -0.082 0.000 1.200 549 R HN 0.567 nan 8.270 nan 0.000 0.541 550 E N 1.214 121.241 120.200 -0.288 0.000 2.268 550 E HA -0.081 4.298 4.350 0.049 0.000 0.195 550 E C 1.557 178.041 176.600 -0.193 0.000 0.995 550 E CA 0.965 57.096 56.400 -0.448 0.000 0.836 550 E CB 0.152 29.386 29.700 -0.777 0.000 0.763 550 E HN 0.286 nan 8.360 nan 0.000 0.491 551 A N 0.662 123.397 122.820 -0.142 0.000 2.218 551 A HA 0.065 4.415 4.320 0.049 0.000 0.209 551 A C 0.834 178.412 177.584 -0.010 0.000 1.168 551 A CA -0.025 51.981 52.037 -0.051 0.000 0.804 551 A CB -0.027 18.947 19.000 -0.044 0.000 0.834 551 A HN 0.009 nan 8.150 nan 0.000 0.482 552 I N 1.376 121.936 120.570 -0.016 0.000 2.575 552 I HA 0.152 4.351 4.170 0.049 0.000 0.285 552 I C -0.236 175.900 176.117 0.032 0.000 1.085 552 I CA 0.035 61.338 61.300 0.006 0.000 1.403 552 I CB 0.618 38.615 38.000 -0.005 0.000 1.409 552 I HN 0.086 nan 8.210 nan 0.000 0.557 553 D N 3.301 123.719 120.400 0.030 0.000 2.268 553 D HA 0.713 5.382 4.640 0.049 0.000 0.249 553 D C -0.438 175.879 176.300 0.029 0.000 1.008 553 D CA -0.079 53.944 54.000 0.038 0.000 0.939 553 D CB 1.790 42.612 40.800 0.037 0.000 1.170 553 D HN 0.579 nan 8.370 nan 0.000 0.468 554 S N -0.764 114.957 115.700 0.035 0.000 2.587 554 S HA 0.432 4.932 4.470 0.049 0.000 0.269 554 S C -2.597 172.033 174.600 0.050 0.000 1.154 554 S CA -0.947 57.270 58.200 0.028 0.000 0.824 554 S CB 1.551 64.758 63.200 0.011 0.000 1.118 554 S HN 0.036 nan 8.310 nan 0.000 0.462 555 P HA 0.034 nan 4.420 nan 0.000 0.225 555 P C 0.984 178.392 177.300 0.180 0.000 1.148 555 P CA 1.097 64.250 63.100 0.089 0.000 0.779 555 P CB -0.186 31.552 31.700 0.064 0.000 0.780 556 V N -5.669 114.291 119.914 0.078 0.000 3.006 556 V HA 0.309 4.458 4.120 0.049 0.000 0.357 556 V C 1.522 177.509 176.094 -0.178 0.000 1.377 556 V CA -0.004 62.245 62.300 -0.085 0.000 1.198 556 V CB -0.384 31.320 31.823 -0.198 0.000 1.216 556 V HN -0.154 nan 8.190 nan 0.000 0.520 557 S N 2.210 117.916 115.700 0.009 0.000 2.370 557 S HA -0.163 4.336 4.470 0.049 0.000 0.226 557 S C 1.562 176.104 174.600 -0.096 0.000 1.033 557 S CA 2.309 60.492 58.200 -0.029 0.000 1.011 557 S CB -0.567 62.664 63.200 0.052 0.000 0.852 557 S HN 1.013 nan 8.310 nan 0.000 0.457 558 F N 0.461 120.337 119.950 -0.123 0.000 2.373 558 F HA 0.022 4.575 4.527 0.044 0.000 0.300 558 F C 1.377 177.087 175.800 -0.150 0.000 1.080 558 F CA 0.499 58.421 58.000 -0.129 0.000 1.417 558 F CB -0.343 38.590 39.000 -0.111 0.000 1.070 558 F HN 0.074 nan 8.300 nan 0.000 0.546 559 L N 0.967 121.639 121.223 -0.919 0.000 2.529 559 L HA 0.395 4.764 4.340 0.049 0.000 0.223 559 L C 1.454 178.098 176.870 -0.377 0.000 1.113 559 L CA -0.362 54.067 54.840 -0.685 0.000 0.861 559 L CB -1.382 40.189 42.059 -0.813 0.000 1.012 559 L HN 0.241 nan 8.230 nan 0.000 0.461 560 A N -0.304 122.303 122.820 -0.354 0.000 2.520 560 A HA 0.087 4.436 4.320 0.049 0.000 0.245 560 A C 1.499 178.891 177.584 -0.319 0.000 1.072 560 A CA -0.113 51.731 52.037 -0.321 0.000 0.761 560 A CB 0.047 18.783 19.000 -0.440 0.000 1.004 560 A HN 0.256 nan 8.150 nan 0.000 0.499 561 L N 3.178 124.296 121.223 -0.176 0.000 2.021 561 L HA -0.281 4.089 4.340 0.049 0.000 0.215 561 L C 2.647 179.462 176.870 -0.092 0.000 1.074 561 L CA 3.025 57.806 54.840 -0.098 0.000 0.760 561 L CB -0.780 41.265 42.059 -0.024 0.000 0.889 561 L HN 0.941 nan 8.230 nan 0.000 0.433 562 H N -2.065 116.986 119.070 -0.030 0.000 2.456 562 H HA -0.065 4.521 4.556 0.051 0.000 0.296 562 H C 1.464 176.791 175.328 -0.003 0.000 1.079 562 H CA 1.354 57.394 56.048 -0.013 0.000 1.322 562 H CB -0.504 29.252 29.762 -0.011 0.000 1.388 562 H HN 0.455 nan 8.280 nan 0.000 0.538 563 N N 0.925 119.356 118.700 -0.449 0.000 2.333 563 N HA -0.067 4.702 4.740 0.049 0.000 0.178 563 N C 2.037 177.488 175.510 -0.098 0.000 1.018 563 N CA 0.519 53.440 53.050 -0.215 0.000 0.882 563 N CB 0.016 38.334 38.487 -0.281 0.000 0.984 563 N HN 0.566 nan 8.380 nan 0.000 0.434 564 Q N 0.520 120.249 119.800 -0.118 0.000 2.119 564 Q HA 0.033 4.403 4.340 0.049 0.000 0.201 564 Q C 2.030 178.014 176.000 -0.026 0.000 0.972 564 Q CA 0.748 56.517 55.803 -0.058 0.000 0.847 564 Q CB 0.069 28.766 28.738 -0.069 0.000 0.903 564 Q HN 0.390 nan 8.270 nan 0.000 0.433 565 I N 0.413 120.970 120.570 -0.021 0.000 2.226 565 I HA -0.276 3.923 4.170 0.049 0.000 0.245 565 I C 2.320 178.448 176.117 0.019 0.000 1.100 565 I CA 1.137 62.437 61.300 -0.001 0.000 1.374 565 I CB -0.182 37.822 38.000 0.006 0.000 1.057 565 I HN 0.134 nan 8.210 nan 0.000 0.413 566 R N 0.695 121.216 120.500 0.034 0.000 2.120 566 R HA -0.135 4.235 4.340 0.049 0.000 0.234 566 R C 1.093 177.414 176.300 0.036 0.000 1.123 566 R CA 1.442 57.572 56.100 0.050 0.000 0.975 566 R CB -0.317 30.022 30.300 0.066 0.000 0.866 566 R HN 0.423 nan 8.270 nan 0.000 0.446 567 N N -0.369 118.344 118.700 0.023 0.000 2.276 567 N HA 0.120 4.890 4.740 0.049 0.000 0.212 567 N C -0.513 175.008 175.510 0.017 0.000 1.127 567 N CA -0.107 52.956 53.050 0.022 0.000 0.834 567 N CB 0.494 38.995 38.487 0.024 0.000 1.014 567 N HN -0.008 nan 8.380 nan 0.000 0.491 568 M N 1.030 120.638 119.600 0.014 0.000 2.618 568 M HA 0.033 4.542 4.480 0.049 0.000 0.322 568 M C -0.056 176.252 176.300 0.013 0.000 1.471 568 M CA 0.215 55.521 55.300 0.010 0.000 1.450 568 M CB 0.467 33.069 32.600 0.003 0.000 1.444 568 M HN 0.095 nan 8.290 nan 0.000 0.471 569 D N 0.126 120.534 120.400 0.013 0.000 2.312 569 D HA -0.105 4.564 4.640 0.049 0.000 0.211 569 D C 1.858 178.164 176.300 0.010 0.000 0.964 569 D CA 1.026 55.034 54.000 0.013 0.000 0.877 569 D CB 0.139 40.947 40.800 0.012 0.000 0.924 569 D HN 0.548 nan 8.370 nan 0.000 0.515 570 S N -0.494 115.211 115.700 0.007 0.000 2.507 570 S HA -0.065 4.434 4.470 0.049 0.000 0.235 570 S C 1.066 175.668 174.600 0.003 0.000 0.988 570 S CA 0.418 58.620 58.200 0.004 0.000 0.944 570 S CB -0.244 62.957 63.200 0.001 0.000 0.762 570 S HN 0.175 nan 8.310 nan 0.000 0.526 571 M N 1.836 121.439 119.600 0.005 0.000 2.488 571 M HA 0.309 4.819 4.480 0.049 0.000 0.204 571 M C -2.296 174.012 176.300 0.014 0.000 0.969 571 M CA -1.783 53.520 55.300 0.005 0.000 0.720 571 M CB 1.744 34.343 32.600 -0.002 0.000 1.427 571 M HN -0.016 nan 8.290 nan 0.000 0.427 572 P HA -0.131 nan 4.420 nan 0.000 0.230 572 P C 0.932 178.248 177.300 0.026 0.000 1.158 572 P CA 1.196 64.308 63.100 0.020 0.000 0.769 572 P CB 0.236 31.945 31.700 0.016 0.000 0.807 573 E N -0.234 119.981 120.200 0.025 0.000 2.047 573 E HA -0.149 4.230 4.350 0.049 0.000 0.191 573 E C 1.921 178.552 176.600 0.053 0.000 0.987 573 E CA 0.551 56.971 56.400 0.033 0.000 0.799 573 E CB -0.416 29.300 29.700 0.026 0.000 0.752 573 E HN 0.003 nan 8.360 nan 0.000 0.449 574 L N 1.432 122.683 121.223 0.047 0.000 2.046 574 L HA -0.217 4.152 4.340 0.049 0.000 0.208 574 L C 2.160 179.093 176.870 0.105 0.000 1.077 574 L CA 1.787 56.669 54.840 0.070 0.000 0.747 574 L CB -0.416 41.652 42.059 0.014 0.000 0.896 574 L HN 0.172 nan 8.230 nan 0.000 0.432 575 Q N -0.851 118.990 119.800 0.069 0.000 2.124 575 Q HA -0.238 4.131 4.340 0.049 0.000 0.202 575 Q C 2.279 178.318 176.000 0.064 0.000 0.977 575 Q CA 1.622 57.465 55.803 0.067 0.000 0.850 575 Q CB -0.150 28.614 28.738 0.044 0.000 0.901 575 Q HN 0.503 nan 8.270 nan 0.000 0.429 576 K N 0.565 120.998 120.400 0.056 0.000 2.026 576 K HA -0.108 4.242 4.320 0.049 0.000 0.208 576 K C 2.063 178.692 176.600 0.049 0.000 1.048 576 K CA 0.948 57.262 56.287 0.044 0.000 0.929 576 K CB -0.047 32.475 32.500 0.036 0.000 0.713 576 K HN 0.170 nan 8.250 nan 0.000 0.439 577 L N 0.529 121.801 121.223 0.082 0.000 2.093 577 L HA -0.192 4.178 4.340 0.049 0.000 0.208 577 L C 2.612 179.507 176.870 0.040 0.000 1.085 577 L CA 0.902 55.792 54.840 0.084 0.000 0.755 577 L CB -0.284 41.888 42.059 0.188 0.000 0.904 577 L HN 0.190 nan 8.230 nan 0.000 0.435 578 Q N 0.137 120.009 119.800 0.120 0.000 2.084 578 Q HA -0.224 4.145 4.340 0.049 0.000 0.202 578 Q C 2.188 178.199 176.000 0.018 0.000 0.978 578 Q CA 1.649 57.503 55.803 0.085 0.000 0.844 578 Q CB -0.110 28.730 28.738 0.170 0.000 0.898 578 Q HN 0.398 nan 8.270 nan 0.000 0.426 579 Q N -0.729 119.087 119.800 0.027 0.000 2.061 579 Q HA -0.190 4.179 4.340 0.049 0.000 0.204 579 Q C 1.948 177.942 176.000 -0.009 0.000 0.984 579 Q CA 1.605 57.416 55.803 0.012 0.000 0.846 579 Q CB -0.134 28.614 28.738 0.017 0.000 0.902 579 Q HN 0.326 nan 8.270 nan 0.000 0.421 580 L N 0.913 122.126 121.223 -0.018 0.000 2.017 580 L HA -0.216 4.153 4.340 0.049 0.000 0.208 580 L C 2.365 179.201 176.870 -0.058 0.000 1.073 580 L CA 1.770 56.591 54.840 -0.032 0.000 0.745 580 L CB -0.566 41.475 42.059 -0.029 0.000 0.894 580 L HN 0.116 nan 8.230 nan 0.000 0.432 581 K N -0.532 119.805 120.400 -0.105 0.000 2.057 581 K HA -0.208 4.141 4.320 0.049 0.000 0.207 581 K C 1.730 178.281 176.600 -0.081 0.000 1.049 581 K CA 1.726 57.929 56.287 -0.139 0.000 0.931 581 K CB -0.062 32.271 32.500 -0.278 0.000 0.714 581 K HN 0.262 nan 8.250 nan 0.000 0.440 582 D N 0.596 120.962 120.400 -0.055 0.000 2.097 582 D HA -0.198 4.472 4.640 0.049 0.000 0.195 582 D C 1.794 178.084 176.300 -0.016 0.000 0.989 582 D CA 1.703 55.689 54.000 -0.024 0.000 0.827 582 D CB -0.121 40.676 40.800 -0.005 0.000 0.966 582 D HN 0.598 nan 8.370 nan 0.000 0.456 583 E N -0.243 119.947 120.200 -0.016 0.000 2.299 583 E HA -0.041 4.339 4.350 0.049 0.000 0.193 583 E C 1.088 177.680 176.600 -0.013 0.000 0.998 583 E CA 0.950 57.344 56.400 -0.010 0.000 0.851 583 E CB 0.062 29.758 29.700 -0.006 0.000 0.795 583 E HN 0.166 nan 8.360 nan 0.000 0.492 584 T N -1.289 113.252 114.554 -0.022 0.000 3.111 584 T HA 0.420 4.799 4.350 0.049 0.000 0.236 584 T C 1.457 176.144 174.700 -0.021 0.000 0.984 584 T CA 0.496 62.584 62.100 -0.021 0.000 1.195 584 T CB 0.709 69.562 68.868 -0.025 0.000 0.929 584 T HN 0.422 nan 8.240 nan 0.000 0.431 585 G N 1.797 110.577 108.800 -0.034 0.000 3.330 585 G HA2 -0.074 3.915 3.960 0.049 0.000 0.197 585 G HA3 -0.074 3.915 3.960 0.049 0.000 0.197 585 G C -0.330 174.542 174.900 -0.046 0.000 1.284 585 G CA -0.028 45.054 45.100 -0.031 0.000 0.921 585 G HN 0.737 nan 8.290 nan 0.000 0.466 586 E N 0.913 121.087 120.200 -0.043 0.000 2.288 586 E HA 0.770 5.149 4.350 0.049 0.000 0.268 586 E C -0.554 176.013 176.600 -0.055 0.000 0.885 586 E CA -1.096 55.275 56.400 -0.050 0.000 0.767 586 E CB 2.371 32.053 29.700 -0.030 0.000 1.220 586 E HN 0.359 nan 8.360 nan 0.000 0.427 587 L N 1.568 122.751 121.223 -0.067 0.000 2.387 587 L HA 0.378 4.747 4.340 0.049 0.000 0.266 587 L C 0.673 177.528 176.870 -0.026 0.000 1.059 587 L CA -1.016 53.792 54.840 -0.054 0.000 0.801 587 L CB 1.510 43.524 42.059 -0.074 0.000 1.223 587 L HN 0.776 nan 8.230 nan 0.000 0.456 588 S N -0.159 115.532 115.700 -0.014 0.000 2.596 588 S HA 0.070 4.569 4.470 0.049 0.000 0.260 588 S C 1.061 175.663 174.600 0.004 0.000 1.336 588 S CA -0.348 57.850 58.200 -0.004 0.000 0.993 588 S CB 1.153 64.353 63.200 0.000 0.000 0.923 588 S HN 0.593 nan 8.310 nan 0.000 0.567 589 S N 1.492 117.197 115.700 0.008 0.000 2.353 589 S HA -0.103 4.396 4.470 0.049 0.000 0.222 589 S C 2.340 176.953 174.600 0.022 0.000 1.035 589 S CA 1.278 59.487 58.200 0.015 0.000 1.025 589 S CB -1.238 61.969 63.200 0.012 0.000 0.902 589 S HN 0.944 nan 8.310 nan 0.000 0.440 590 A N 1.643 124.475 122.820 0.019 0.000 1.940 590 A HA -0.196 4.153 4.320 0.049 0.000 0.219 590 A C 1.789 179.393 177.584 0.033 0.000 1.176 590 A CA 1.951 54.002 52.037 0.023 0.000 0.631 590 A CB -0.644 18.366 19.000 0.017 0.000 0.814 590 A HN 0.379 nan 8.150 nan 0.000 0.446 591 D N -1.035 119.384 120.400 0.032 0.000 2.137 591 D HA -0.085 4.584 4.640 0.049 0.000 0.202 591 D C 1.975 178.324 176.300 0.081 0.000 0.970 591 D CA 1.194 55.222 54.000 0.046 0.000 0.837 591 D CB -0.295 40.518 40.800 0.021 0.000 0.981 591 D HN 0.658 nan 8.370 nan 0.000 0.475 592 E N 0.972 121.208 120.200 0.061 0.000 2.072 592 E HA -0.180 4.199 4.350 0.049 0.000 0.191 592 E C 1.734 178.418 176.600 0.139 0.000 0.985 592 E CA 0.871 57.330 56.400 0.098 0.000 0.801 592 E CB 0.171 29.901 29.700 0.050 0.000 0.750 592 E HN 0.134 nan 8.360 nan 0.000 0.452 593 K N 0.202 120.652 120.400 0.083 0.000 2.032 593 K HA -0.207 4.142 4.320 0.049 0.000 0.209 593 K C 2.381 179.020 176.600 0.065 0.000 1.048 593 K CA 1.505 57.830 56.287 0.064 0.000 0.927 593 K CB -0.183 32.340 32.500 0.039 0.000 0.712 593 K HN -0.086 nan 8.250 nan 0.000 0.441 594 R N 0.693 121.236 120.500 0.072 0.000 2.081 594 R HA -0.182 4.187 4.340 0.049 0.000 0.235 594 R C 2.106 178.453 176.300 0.079 0.000 1.131 594 R CA 1.570 57.707 56.100 0.062 0.000 0.960 594 R CB -0.987 29.350 30.300 0.061 0.000 0.856 594 R HN 0.331 nan 8.270 nan 0.000 0.436 595 Y N 0.754 121.057 120.300 0.004 0.000 2.097 595 Y HA -0.211 4.368 4.550 0.048 0.000 0.282 595 Y C 2.062 177.965 175.900 0.006 0.000 1.152 595 Y CA 2.199 60.303 58.100 0.006 0.000 1.136 595 Y CB -0.268 38.196 38.460 0.006 0.000 0.975 595 Y HN 0.006 nan 8.280 nan 0.000 0.498 596 R N 0.189 120.668 120.500 -0.036 0.000 2.105 596 R HA -0.177 4.192 4.340 0.049 0.000 0.239 596 R C 2.544 178.763 176.300 -0.136 0.000 1.135 596 R CA 1.189 57.211 56.100 -0.129 0.000 0.967 596 R CB -0.676 29.645 30.300 0.035 0.000 0.861 596 R HN 0.522 nan 8.270 nan 0.000 0.442 597 A N 1.263 124.041 122.820 -0.070 0.000 1.858 597 A HA -0.147 4.203 4.320 0.049 0.000 0.216 597 A C 2.155 179.688 177.584 -0.085 0.000 1.190 597 A CA 1.240 53.242 52.037 -0.057 0.000 0.617 597 A CB -0.650 18.335 19.000 -0.025 0.000 0.827 597 A HN 0.195 nan 8.150 nan 0.000 0.443 598 L N -0.939 120.225 121.223 -0.099 0.000 2.191 598 L HA -0.167 4.202 4.340 0.049 0.000 0.212 598 L C 2.583 179.362 176.870 -0.152 0.000 1.103 598 L CA 1.759 56.538 54.840 -0.102 0.000 0.769 598 L CB -0.417 41.597 42.059 -0.075 0.000 0.908 598 L HN 0.465 nan 8.230 nan 0.000 0.438 599 K N 0.437 120.679 120.400 -0.264 0.000 2.103 599 K HA -0.126 4.223 4.320 0.049 0.000 0.204 599 K C 2.285 178.791 176.600 -0.157 0.000 1.052 599 K CA 0.931 57.049 56.287 -0.281 0.000 0.945 599 K CB 0.102 32.295 32.500 -0.512 0.000 0.722 599 K HN 0.133 nan 8.250 nan 0.000 0.443 600 R N -0.347 120.076 120.500 -0.127 0.000 2.096 600 R HA -0.087 4.282 4.340 0.049 0.000 0.235 600 R C 2.227 178.490 176.300 -0.061 0.000 1.127 600 R CA 1.901 57.955 56.100 -0.076 0.000 0.968 600 R CB -0.369 29.896 30.300 -0.058 0.000 0.861 600 R HN 0.214 nan 8.270 nan 0.000 0.440 601 T N 0.724 115.239 114.554 -0.064 0.000 2.708 601 T HA -0.149 4.230 4.350 0.049 0.000 0.266 601 T C 1.929 176.602 174.700 -0.045 0.000 1.037 601 T CA 1.433 63.504 62.100 -0.048 0.000 1.146 601 T CB -0.312 68.529 68.868 -0.044 0.000 0.865 601 T HN 0.391 nan 8.240 nan 0.000 0.435 602 A N 1.601 124.388 122.820 -0.054 0.000 1.892 602 A HA -0.223 4.127 4.320 0.049 0.000 0.218 602 A C 2.184 179.746 177.584 -0.036 0.000 1.188 602 A CA 2.080 54.091 52.037 -0.044 0.000 0.631 602 A CB -0.698 18.270 19.000 -0.053 0.000 0.822 602 A HN 0.609 nan 8.150 nan 0.000 0.447 603 E N -0.744 119.431 120.200 -0.041 0.000 2.051 603 E HA -0.188 4.191 4.350 0.049 0.000 0.192 603 E C 2.373 178.960 176.600 -0.021 0.000 0.991 603 E CA 1.215 57.598 56.400 -0.028 0.000 0.799 603 E CB -0.194 29.489 29.700 -0.029 0.000 0.748 603 E HN 0.524 nan 8.360 nan 0.000 0.449 604 R N 0.695 121.179 120.500 -0.026 0.000 2.105 604 R HA -0.130 4.239 4.340 0.049 0.000 0.239 604 R C 2.258 178.543 176.300 -0.024 0.000 1.135 604 R CA 0.930 57.015 56.100 -0.025 0.000 0.967 604 R CB -0.109 30.173 30.300 -0.029 0.000 0.861 604 R HN 0.191 nan 8.270 nan 0.000 0.442 605 E N 0.738 120.924 120.200 -0.024 0.000 2.072 605 E HA -0.144 4.235 4.350 0.049 0.000 0.191 605 E C 2.115 178.705 176.600 -0.016 0.000 0.985 605 E CA 1.042 57.430 56.400 -0.021 0.000 0.801 605 E CB 0.003 29.692 29.700 -0.020 0.000 0.750 605 E HN 0.331 nan 8.360 nan 0.000 0.452 606 L N 0.321 121.535 121.223 -0.016 0.000 2.095 606 L HA -0.108 4.262 4.340 0.049 0.000 0.204 606 L C 2.577 179.444 176.870 -0.005 0.000 1.080 606 L CA 0.555 55.388 54.840 -0.012 0.000 0.759 606 L CB -0.325 41.723 42.059 -0.018 0.000 0.914 606 L HN 0.095 nan 8.230 nan 0.000 0.439 607 L N -1.136 120.086 121.223 -0.000 0.000 2.005 607 L HA -0.196 4.173 4.340 0.049 0.000 0.207 607 L C 2.709 179.584 176.870 0.007 0.000 1.072 607 L CA 0.943 55.794 54.840 0.019 0.000 0.744 607 L CB -0.473 41.606 42.059 0.032 0.000 0.895 607 L HN 0.285 nan 8.230 nan 0.000 0.433 608 M N -0.239 119.351 119.600 -0.016 0.000 2.202 608 M HA -0.190 4.320 4.480 0.049 0.000 0.262 608 M C 1.338 177.620 176.300 -0.029 0.000 1.063 608 M CA 1.669 56.947 55.300 -0.037 0.000 1.097 608 M CB -1.413 31.161 32.600 -0.043 0.000 1.382 608 M HN 0.293 nan 8.290 nan 0.000 0.413 609 N N -0.011 118.679 118.700 -0.017 0.000 2.270 609 N HA 0.230 4.999 4.740 0.049 0.000 0.198 609 N C -0.026 175.481 175.510 -0.004 0.000 1.117 609 N CA -0.150 52.892 53.050 -0.013 0.000 0.845 609 N CB 0.325 38.806 38.487 -0.011 0.000 0.980 609 N HN 0.197 nan 8.380 nan 0.000 0.486 610 A N 0.276 123.100 122.820 0.006 0.000 2.366 610 A HA 0.137 4.486 4.320 0.049 0.000 0.272 610 A C 0.608 178.205 177.584 0.020 0.000 1.135 610 A CA -0.398 51.649 52.037 0.016 0.000 0.804 610 A CB 0.448 19.465 19.000 0.029 0.000 1.064 610 A HN 0.130 nan 8.150 nan 0.000 0.499 611 D N 0.739 121.148 120.400 0.015 0.000 2.144 611 D HA -0.006 4.663 4.640 0.049 0.000 0.200 611 D C 0.214 176.531 176.300 0.028 0.000 0.978 611 D CA 1.625 55.630 54.000 0.010 0.000 0.833 611 D CB 0.132 40.931 40.800 -0.001 0.000 0.961 611 D HN 0.256 nan 8.370 nan 0.000 0.470 612 V N 0.838 120.772 119.914 0.034 0.000 2.760 612 V HA 0.366 4.515 4.120 0.049 0.000 0.309 612 V C -0.497 175.613 176.094 0.027 0.000 1.077 612 V CA -0.741 61.579 62.300 0.035 0.000 0.910 612 V CB 2.727 34.562 31.823 0.019 0.000 1.008 612 V HN -0.165 nan 8.190 nan 0.000 0.424 613 I N 3.231 123.814 120.570 0.022 0.000 2.406 613 I HA 0.499 4.698 4.170 0.049 0.000 0.290 613 I C -0.559 175.504 176.117 -0.091 0.000 0.999 613 I CA -0.030 61.256 61.300 -0.022 0.000 1.124 613 I CB 1.640 39.649 38.000 0.015 0.000 1.289 613 I HN 0.536 nan 8.210 nan 0.000 0.441 614 C N 5.772 125.021 119.300 -0.084 0.000 2.322 614 C HA 0.810 5.299 4.460 0.049 0.000 0.324 614 C C 0.064 174.995 174.990 -0.099 0.000 1.284 614 C CA -0.765 58.196 59.018 -0.094 0.000 1.606 614 C CB -0.200 27.493 27.740 -0.078 0.000 2.251 614 C HN 1.010 nan 8.230 nan 0.000 0.502 615 C N 1.793 121.026 119.300 -0.110 0.000 3.320 615 C HA 0.850 5.340 4.460 0.049 0.000 0.335 615 C C 0.153 175.084 174.990 -0.099 0.000 1.430 615 C CA -0.573 58.386 59.018 -0.098 0.000 1.271 615 C CB 0.703 28.382 27.740 -0.102 0.000 1.609 615 C HN 0.889 nan 8.230 nan 0.000 0.457 616 T N -0.743 113.759 114.554 -0.087 0.000 2.856 616 T HA 0.266 4.646 4.350 0.049 0.000 0.306 616 T C 1.269 175.909 174.700 -0.099 0.000 1.062 616 T CA 0.390 62.438 62.100 -0.086 0.000 1.083 616 T CB 0.292 69.112 68.868 -0.080 0.000 0.984 616 T HN 0.962 nan 8.240 nan 0.000 0.542 617 C N 1.313 120.555 119.300 -0.097 0.000 2.367 617 C HA -0.123 4.366 4.460 0.049 0.000 0.276 617 C C 2.998 177.923 174.990 -0.108 0.000 1.195 617 C CA 0.791 59.746 59.018 -0.104 0.000 1.756 617 C CB -1.594 26.090 27.740 -0.094 0.000 2.046 617 C HN 0.853 nan 8.230 nan 0.000 0.453 618 V N 1.265 121.114 119.914 -0.109 0.000 2.332 618 V HA -0.164 3.985 4.120 0.049 0.000 0.248 618 V C 2.639 178.672 176.094 -0.102 0.000 1.055 618 V CA 2.416 64.647 62.300 -0.116 0.000 1.038 618 V CB -1.508 30.230 31.823 -0.142 0.000 0.651 618 V HN 0.731 nan 8.190 nan 0.000 0.450 619 G N -0.498 108.243 108.800 -0.097 0.000 2.462 619 G HA2 -0.234 3.756 3.960 0.049 0.000 0.220 619 G HA3 -0.234 3.756 3.960 0.049 0.000 0.220 619 G C 1.686 176.535 174.900 -0.086 0.000 1.121 619 G CA 0.968 46.017 45.100 -0.086 0.000 0.758 619 G HN 0.645 nan 8.290 nan 0.000 0.559 620 A N 0.600 123.358 122.820 -0.105 0.000 2.070 620 A HA 0.188 4.537 4.320 0.049 0.000 0.220 620 A C 2.491 180.031 177.584 -0.073 0.000 1.159 620 A CA 1.765 53.731 52.037 -0.118 0.000 0.656 620 A CB -0.549 18.361 19.000 -0.151 0.000 0.800 620 A HN 0.520 nan 8.150 nan 0.000 0.453 621 G N -0.779 107.982 108.800 -0.064 0.000 2.920 621 G HA2 0.037 4.026 3.960 0.049 0.000 0.208 621 G HA3 0.037 4.026 3.960 0.049 0.000 0.208 621 G C 0.331 175.214 174.900 -0.029 0.000 1.159 621 G CA 0.208 45.284 45.100 -0.040 0.000 0.784 621 G HN 0.516 nan 8.290 nan 0.000 0.535 622 D N 0.830 121.210 120.400 -0.033 0.000 2.548 622 D HA -0.011 4.658 4.640 0.049 0.000 0.231 622 D C -1.070 175.227 176.300 -0.004 0.000 1.142 622 D CA -1.008 52.979 54.000 -0.022 0.000 0.866 622 D CB 1.717 42.504 40.800 -0.022 0.000 1.190 622 D HN 0.008 nan 8.370 nan 0.000 0.469 623 P HA -0.117 nan 4.420 nan 0.000 0.218 623 P C 1.102 178.407 177.300 0.009 0.000 1.148 623 P CA 1.204 64.306 63.100 0.002 0.000 0.822 623 P CB 0.169 31.868 31.700 -0.001 0.000 0.784 624 R N -0.860 119.645 120.500 0.008 0.000 2.193 624 R HA -0.012 4.357 4.340 0.049 0.000 0.229 624 R C 1.952 178.273 176.300 0.035 0.000 1.110 624 R CA 0.914 57.022 56.100 0.013 0.000 0.988 624 R CB -0.639 29.666 30.300 0.009 0.000 0.871 624 R HN 0.286 nan 8.270 nan 0.000 0.458 625 L N -0.009 121.247 121.223 0.055 0.000 2.477 625 L HA 0.226 4.596 4.340 0.049 0.000 0.220 625 L C 1.037 177.972 176.870 0.108 0.000 1.106 625 L CA -0.492 54.420 54.840 0.120 0.000 0.851 625 L CB -0.160 41.990 42.059 0.151 0.000 0.994 625 L HN 0.058 nan 8.230 nan 0.000 0.462 626 A N 0.464 123.318 122.820 0.057 0.000 2.492 626 A HA 0.089 4.438 4.320 0.049 0.000 0.236 626 A C 1.085 178.682 177.584 0.023 0.000 1.078 626 A CA 0.354 52.415 52.037 0.039 0.000 0.773 626 A CB 0.095 19.107 19.000 0.020 0.000 1.023 626 A HN 0.439 nan 8.150 nan 0.000 0.504 627 K N -2.101 118.304 120.400 0.007 0.000 3.500 627 K HA -0.168 4.181 4.320 0.049 0.000 0.313 627 K C -0.230 176.343 176.600 -0.045 0.000 1.338 627 K CA 1.615 57.893 56.287 -0.016 0.000 0.963 627 K CB -1.309 31.181 32.500 -0.017 0.000 1.267 627 K HN 0.768 nan 8.250 nan 0.000 0.448 628 M N 0.956 120.526 119.600 -0.049 0.000 2.464 628 M HA 0.240 4.749 4.480 0.049 0.000 0.308 628 M C -1.109 175.042 176.300 -0.248 0.000 1.127 628 M CA -0.679 54.516 55.300 -0.176 0.000 0.913 628 M CB 1.917 34.418 32.600 -0.164 0.000 1.689 628 M HN -0.101 nan 8.290 nan 0.000 0.445 629 Q N 3.232 122.802 119.800 -0.383 0.000 2.271 629 Q HA 0.446 4.816 4.340 0.049 0.000 0.258 629 Q C -1.703 173.958 176.000 -0.565 0.000 0.936 629 Q CA -0.011 55.616 55.803 -0.292 0.000 0.909 629 Q CB 1.763 30.402 28.738 -0.165 0.000 1.253 629 Q HN 0.590 nan 8.270 nan 0.000 0.440 630 F N 1.363 121.301 119.950 -0.020 0.000 2.430 630 F HA 0.348 4.904 4.527 0.049 0.000 0.362 630 F C 1.375 177.163 175.800 -0.019 0.000 1.103 630 F CA -0.642 57.345 58.000 -0.022 0.000 1.045 630 F CB 1.248 40.233 39.000 -0.025 0.000 1.276 630 F HN 0.495 nan 8.300 nan 0.000 0.444 631 R N 0.929 121.487 120.500 0.097 0.000 2.066 631 R HA 0.017 4.386 4.340 0.049 0.000 0.232 631 R C -0.008 176.332 176.300 0.067 0.000 1.131 631 R CA 1.162 57.296 56.100 0.057 0.000 0.955 631 R CB 0.133 30.443 30.300 0.016 0.000 0.851 631 R HN 0.501 nan 8.270 nan 0.000 0.432 632 S N 0.316 116.065 115.700 0.082 0.000 2.449 632 S HA 0.484 4.983 4.470 0.049 0.000 0.310 632 S C -0.621 174.014 174.600 0.059 0.000 1.096 632 S CA -0.657 57.576 58.200 0.056 0.000 1.095 632 S CB 1.673 64.898 63.200 0.042 0.000 1.007 632 S HN 0.193 nan 8.310 nan 0.000 0.474 633 I N 3.154 123.738 120.570 0.024 0.000 2.582 633 I HA 0.526 4.725 4.170 0.049 0.000 0.292 633 I C -1.034 175.072 176.117 -0.019 0.000 1.066 633 I CA -0.738 60.553 61.300 -0.016 0.000 1.053 633 I CB 1.991 39.969 38.000 -0.037 0.000 1.241 633 I HN 0.411 nan 8.210 nan 0.000 0.421 634 L N 7.006 128.209 121.223 -0.032 0.000 2.409 634 L HA 0.629 4.998 4.340 0.049 0.000 0.272 634 L C -1.375 175.475 176.870 -0.033 0.000 0.980 634 L CA -0.350 54.480 54.840 -0.018 0.000 0.826 634 L CB 1.594 43.651 42.059 -0.002 0.000 1.268 634 L HN 0.490 nan 8.230 nan 0.000 0.407 635 I N 4.370 124.930 120.570 -0.018 0.000 2.354 635 I HA 0.304 4.504 4.170 0.049 0.000 0.286 635 I C -0.429 175.686 176.117 -0.004 0.000 1.007 635 I CA -0.509 60.778 61.300 -0.023 0.000 1.167 635 I CB 1.435 39.421 38.000 -0.023 0.000 1.320 635 I HN 0.581 nan 8.210 nan 0.000 0.458 636 D N 5.842 126.230 120.400 -0.019 0.000 2.313 636 D HA 0.080 4.749 4.640 0.049 0.000 0.247 636 D C 0.307 176.586 176.300 -0.035 0.000 1.094 636 D CA 0.160 54.147 54.000 -0.020 0.000 0.925 636 D CB 1.091 41.876 40.800 -0.025 0.000 1.188 636 D HN 0.616 nan 8.370 nan 0.000 0.430 637 E N 0.461 120.630 120.200 -0.052 0.000 2.440 637 E HA -0.248 4.131 4.350 0.049 0.000 0.246 637 E C 1.107 177.667 176.600 -0.068 0.000 1.165 637 E CA 0.646 57.001 56.400 -0.075 0.000 0.726 637 E CB -1.116 28.549 29.700 -0.058 0.000 1.271 637 E HN 0.494 nan 8.360 nan 0.000 0.397 638 S N -1.758 113.911 115.700 -0.051 0.000 2.419 638 S HA -0.212 4.288 4.470 0.049 0.000 0.233 638 S C 1.918 176.504 174.600 -0.024 0.000 1.016 638 S CA 1.408 59.602 58.200 -0.010 0.000 0.974 638 S CB -0.495 62.748 63.200 0.072 0.000 0.786 638 S HN 0.449 nan 8.310 nan 0.000 0.492 639 T N -0.166 114.314 114.554 -0.124 0.000 3.077 639 T HA -0.016 4.364 4.350 0.049 0.000 0.269 639 T C 1.458 176.130 174.700 -0.047 0.000 1.146 639 T CA 0.851 62.886 62.100 -0.108 0.000 1.091 639 T CB -0.496 68.220 68.868 -0.253 0.000 0.892 639 T HN 0.598 nan 8.240 nan 0.000 0.533 640 Q N 0.310 120.081 119.800 -0.047 0.000 2.282 640 Q HA 0.484 4.853 4.340 0.049 0.000 0.206 640 Q C 0.675 176.665 176.000 -0.016 0.000 0.878 640 Q CA -0.116 55.670 55.803 -0.028 0.000 0.944 640 Q CB 0.557 29.273 28.738 -0.036 0.000 1.100 640 Q HN 0.676 nan 8.270 nan 0.000 0.509 641 A N 1.395 124.206 122.820 -0.014 0.000 2.320 641 A HA 0.497 4.846 4.320 0.049 0.000 0.334 641 A C 0.323 177.909 177.584 0.003 0.000 1.147 641 A CA -0.563 51.465 52.037 -0.015 0.000 0.820 641 A CB 0.715 19.695 19.000 -0.034 0.000 1.218 641 A HN 0.178 nan 8.150 nan 0.000 0.482 642 T N -0.677 113.880 114.554 0.005 0.000 2.860 642 T HA 0.208 4.587 4.350 0.049 0.000 0.299 642 T C 0.803 175.481 174.700 -0.037 0.000 1.045 642 T CA 0.285 62.398 62.100 0.023 0.000 1.071 642 T CB 0.635 69.534 68.868 0.050 0.000 0.985 642 T HN 0.679 nan 8.240 nan 0.000 0.537 643 E N 1.522 121.674 120.200 -0.080 0.000 2.049 643 E HA -0.112 4.267 4.350 0.049 0.000 0.198 643 E C -0.672 175.754 176.600 -0.291 0.000 1.007 643 E CA 1.477 57.733 56.400 -0.240 0.000 0.809 643 E CB -1.208 28.197 29.700 -0.491 0.000 0.749 643 E HN 0.610 nan 8.360 nan 0.000 0.450 644 P HA -0.198 nan 4.420 nan 0.000 0.216 644 P C 1.100 178.326 177.300 -0.122 0.000 1.150 644 P CA 1.329 64.311 63.100 -0.196 0.000 0.837 644 P CB -0.018 31.633 31.700 -0.083 0.000 0.786 645 E N -1.048 119.093 120.200 -0.098 0.000 2.017 645 E HA -0.226 4.153 4.350 0.049 0.000 0.193 645 E C 1.883 178.420 176.600 -0.105 0.000 0.997 645 E CA 1.328 57.672 56.400 -0.093 0.000 0.804 645 E CB -0.713 28.942 29.700 -0.076 0.000 0.757 645 E HN 0.085 nan 8.360 nan 0.000 0.448 646 C N 0.701 119.938 119.300 -0.105 0.000 2.411 646 C HA -0.111 4.378 4.460 0.049 0.000 0.279 646 C C 2.494 177.397 174.990 -0.144 0.000 1.288 646 C CA 0.744 59.699 59.018 -0.106 0.000 1.764 646 C CB -0.793 26.895 27.740 -0.087 0.000 1.974 646 C HN 0.552 nan 8.230 nan 0.000 0.498 647 M N -0.293 119.198 119.600 -0.181 0.000 2.562 647 M HA -0.003 4.506 4.480 0.049 0.000 0.257 647 M C 1.967 178.157 176.300 -0.182 0.000 1.099 647 M CA 0.740 55.897 55.300 -0.239 0.000 1.099 647 M CB -0.974 31.437 32.600 -0.314 0.000 1.427 647 M HN 0.256 nan 8.290 nan 0.000 0.489 648 V N 2.186 122.020 119.914 -0.133 0.000 2.231 648 V HA -0.216 3.933 4.120 0.049 0.000 0.248 648 V C -0.260 175.773 176.094 -0.101 0.000 1.054 648 V CA 2.293 64.532 62.300 -0.102 0.000 1.015 648 V CB -2.116 29.652 31.823 -0.092 0.000 0.638 648 V HN 0.260 nan 8.190 nan 0.000 0.444 649 P HA -0.054 nan 4.420 nan 0.000 0.217 649 P C 1.897 179.135 177.300 -0.103 0.000 1.151 649 P CA 1.266 64.289 63.100 -0.128 0.000 0.828 649 P CB -0.094 31.512 31.700 -0.157 0.000 0.788 650 V N 1.343 121.182 119.914 -0.125 0.000 2.392 650 V HA -0.181 3.968 4.120 0.049 0.000 0.249 650 V C 2.623 178.659 176.094 -0.096 0.000 1.059 650 V CA 2.178 64.404 62.300 -0.124 0.000 1.051 650 V CB -1.539 30.161 31.823 -0.205 0.000 0.658 650 V HN 0.047 nan 8.190 nan 0.000 0.455 651 V N -2.093 117.756 119.914 -0.109 0.000 3.590 651 V HA 0.093 4.242 4.120 0.049 0.000 0.272 651 V C 1.331 177.438 176.094 0.021 0.000 1.233 651 V CA 1.082 63.359 62.300 -0.039 0.000 1.182 651 V CB -1.055 30.751 31.823 -0.027 0.000 0.901 651 V HN 0.501 nan 8.190 nan 0.000 0.485 652 L N 1.576 122.824 121.223 0.041 0.000 2.783 652 L HA 0.594 4.963 4.340 0.049 0.000 0.236 652 L C 1.537 178.493 176.870 0.143 0.000 1.225 652 L CA 0.541 55.453 54.840 0.120 0.000 1.026 652 L CB -0.191 41.991 42.059 0.206 0.000 1.314 652 L HN 0.605 nan 8.230 nan 0.000 0.489 653 G N -0.522 108.330 108.800 0.086 0.000 2.164 653 G HA2 -0.165 3.824 3.960 0.049 0.000 0.154 653 G HA3 -0.165 3.824 3.960 0.049 0.000 0.154 653 G C 0.387 175.327 174.900 0.066 0.000 1.014 653 G CA -0.293 44.847 45.100 0.068 0.000 0.683 653 G HN 0.401 nan 8.290 nan 0.000 0.500 654 A N 0.137 122.993 122.820 0.060 0.000 2.563 654 A HA 0.494 4.843 4.320 0.049 0.000 0.256 654 A C 1.197 178.812 177.584 0.052 0.000 1.056 654 A CA 1.513 53.579 52.037 0.048 0.000 0.775 654 A CB 0.104 19.113 19.000 0.014 0.000 0.973 654 A HN 0.507 nan 8.150 nan 0.000 0.516 655 K N 0.632 121.058 120.400 0.043 0.000 2.399 655 K HA 0.118 4.467 4.320 0.049 0.000 0.196 655 K C 0.507 177.114 176.600 0.012 0.000 1.103 655 K CA 0.377 56.684 56.287 0.034 0.000 0.986 655 K CB 0.610 33.122 32.500 0.021 0.000 0.952 655 K HN 0.808 nan 8.250 nan 0.000 0.541 656 Q N 1.574 121.380 119.800 0.010 0.000 2.294 656 Q HA 0.325 4.695 4.340 0.049 0.000 0.264 656 Q C -2.054 173.949 176.000 0.004 0.000 0.992 656 Q CA -0.608 55.191 55.803 -0.006 0.000 0.747 656 Q CB 1.390 30.121 28.738 -0.012 0.000 1.262 656 Q HN -0.037 nan 8.270 nan 0.000 0.452 657 L N 5.398 126.624 121.223 0.004 0.000 2.341 657 L HA 0.647 5.016 4.340 0.049 0.000 0.278 657 L C -1.668 175.204 176.870 0.002 0.000 1.005 657 L CA -0.377 54.464 54.840 0.001 0.000 0.818 657 L CB 1.697 43.753 42.059 -0.005 0.000 1.259 657 L HN 0.680 nan 8.230 nan 0.000 0.418 658 I N 6.083 126.657 120.570 0.006 0.000 2.410 658 I HA 0.377 4.576 4.170 0.049 0.000 0.286 658 I C -0.910 175.232 176.117 0.040 0.000 1.009 658 I CA -0.325 60.987 61.300 0.020 0.000 1.111 658 I CB 1.538 39.552 38.000 0.024 0.000 1.262 658 I HN 0.412 nan 8.210 nan 0.000 0.443 659 L N 7.197 128.463 121.223 0.071 0.000 2.280 659 L HA 0.586 4.955 4.340 0.049 0.000 0.287 659 L C -0.598 176.439 176.870 0.279 0.000 1.023 659 L CA -0.850 54.084 54.840 0.157 0.000 0.819 659 L CB 1.355 43.524 42.059 0.184 0.000 1.212 659 L HN 0.261 nan 8.230 nan 0.000 0.420 660 V N 2.212 122.243 119.914 0.194 0.000 2.483 660 V HA 0.969 5.118 4.120 0.049 0.000 0.295 660 V C 0.477 176.575 176.094 0.007 0.000 1.035 660 V CA -0.319 62.070 62.300 0.147 0.000 0.896 660 V CB 1.365 33.224 31.823 0.061 0.000 0.986 660 V HN 0.970 nan 8.190 nan 0.000 0.447 661 G N 2.526 111.232 108.800 -0.157 0.000 2.320 661 G HA2 0.499 4.488 3.960 0.049 0.000 0.296 661 G HA3 0.499 4.488 3.960 0.049 0.000 0.296 661 G C -2.324 172.279 174.900 -0.495 0.000 1.306 661 G CA -0.401 44.421 45.100 -0.464 0.000 0.836 661 G HN 0.572 nan 8.290 nan 0.000 0.517 662 D N -0.872 119.267 120.400 -0.434 0.000 2.375 662 D HA 0.235 4.905 4.640 0.049 0.000 0.241 662 D C 1.033 177.239 176.300 -0.157 0.000 1.361 662 D CA -0.523 53.353 54.000 -0.207 0.000 0.995 662 D CB 0.451 41.201 40.800 -0.082 0.000 1.312 662 D HN 0.537 nan 8.370 nan 0.000 0.576 663 H N 1.287 120.254 119.070 -0.172 0.000 2.567 663 H HA 0.026 4.611 4.556 0.048 0.000 0.276 663 H C 0.566 175.892 175.328 -0.004 0.000 1.016 663 H CA 0.136 56.172 56.048 -0.020 0.000 1.186 663 H CB -0.623 29.238 29.762 0.165 0.000 1.351 663 H HN 0.224 nan 8.280 nan 0.000 0.605 664 C N 0.555 119.664 119.300 -0.318 0.000 2.906 664 C HA 0.269 4.759 4.460 0.049 0.000 0.274 664 C C 1.000 175.828 174.990 -0.270 0.000 1.257 664 C CA -0.315 58.508 59.018 -0.324 0.000 1.695 664 C CB -0.425 27.035 27.740 -0.466 0.000 1.958 664 C HN 0.530 nan 8.230 nan 0.000 0.619 665 Q N -0.106 119.601 119.800 -0.156 0.000 2.527 665 Q HA 0.553 4.922 4.340 0.049 0.000 0.220 665 Q C -0.422 175.525 176.000 -0.088 0.000 1.014 665 Q CA -0.690 55.036 55.803 -0.127 0.000 0.978 665 Q CB 0.695 29.381 28.738 -0.085 0.000 1.245 665 Q HN 0.306 nan 8.270 nan 0.000 0.513 666 L N 0.793 121.980 121.223 -0.059 0.000 2.461 666 L HA 0.219 4.588 4.340 0.049 0.000 0.272 666 L C 0.694 177.548 176.870 -0.026 0.000 1.197 666 L CA -0.161 54.660 54.840 -0.031 0.000 0.836 666 L CB -0.089 41.963 42.059 -0.012 0.000 1.105 666 L HN 0.701 nan 8.230 nan 0.000 0.477 667 G N 2.036 110.833 108.800 -0.006 0.000 2.671 667 G HA2 0.575 4.564 3.960 0.049 0.000 0.275 667 G HA3 0.575 4.564 3.960 0.049 0.000 0.275 667 G C -2.592 172.313 174.900 0.008 0.000 1.368 667 G CA -0.937 44.166 45.100 0.006 0.000 1.044 667 G HN 0.438 nan 8.290 nan 0.000 0.543 668 P HA 0.257 nan 4.420 nan 0.000 0.274 668 P C -0.439 176.875 177.300 0.023 0.000 1.231 668 P CA -0.261 62.849 63.100 0.017 0.000 0.790 668 P CB 1.403 33.118 31.700 0.026 0.000 0.951 669 V N 2.741 122.670 119.914 0.024 0.000 2.461 669 V HA 0.173 4.323 4.120 0.049 0.000 0.275 669 V C 0.454 176.572 176.094 0.040 0.000 1.047 669 V CA -0.232 62.086 62.300 0.029 0.000 0.955 669 V CB 1.325 33.167 31.823 0.031 0.000 0.988 669 V HN 0.260 nan 8.190 nan 0.000 0.471 670 V N 6.440 126.370 119.914 0.027 0.000 2.380 670 V HA 0.248 4.397 4.120 0.049 0.000 0.286 670 V C 0.752 176.831 176.094 -0.024 0.000 1.015 670 V CA -0.394 61.917 62.300 0.020 0.000 0.834 670 V CB 1.643 33.469 31.823 0.006 0.000 1.009 670 V HN 0.815 nan 8.190 nan 0.000 0.428 671 M N 1.644 121.240 119.600 -0.008 0.000 2.460 671 M HA 0.005 4.514 4.480 0.049 0.000 0.263 671 M C 0.947 176.976 176.300 -0.453 0.000 1.071 671 M CA 0.884 56.152 55.300 -0.054 0.000 1.096 671 M CB -0.332 32.381 32.600 0.188 0.000 1.408 671 M HN 0.635 nan 8.290 nan 0.000 0.463 672 C N 1.937 120.926 119.300 -0.519 0.000 2.251 672 C HA 0.250 4.740 4.460 0.049 0.000 0.323 672 C C 1.669 176.444 174.990 -0.359 0.000 1.241 672 C CA -0.747 57.813 59.018 -0.763 0.000 1.601 672 C CB 0.006 27.403 27.740 -0.572 0.000 2.251 672 C HN 0.516 nan 8.230 nan 0.000 0.488 673 K N 2.815 123.035 120.400 -0.299 0.000 2.020 673 K HA -0.193 4.157 4.320 0.049 0.000 0.212 673 K C 1.972 178.501 176.600 -0.119 0.000 1.050 673 K CA 1.913 58.109 56.287 -0.152 0.000 0.929 673 K CB -0.002 32.438 32.500 -0.101 0.000 0.714 673 K HN 0.688 nan 8.250 nan 0.000 0.443 674 K N 0.260 120.590 120.400 -0.118 0.000 2.059 674 K HA -0.206 4.143 4.320 0.049 0.000 0.212 674 K C 2.103 178.645 176.600 -0.096 0.000 1.050 674 K CA 1.694 57.930 56.287 -0.085 0.000 0.927 674 K CB -0.196 32.264 32.500 -0.067 0.000 0.714 674 K HN 0.215 nan 8.250 nan 0.000 0.447 675 A N 0.648 123.402 122.820 -0.110 0.000 1.930 675 A HA -0.050 4.299 4.320 0.049 0.000 0.217 675 A C 2.262 179.788 177.584 -0.097 0.000 1.175 675 A CA 1.704 53.685 52.037 -0.094 0.000 0.627 675 A CB -0.624 18.336 19.000 -0.068 0.000 0.815 675 A HN 0.359 nan 8.150 nan 0.000 0.443 676 A N -0.092 122.672 122.820 -0.093 0.000 1.873 676 A HA -0.103 4.246 4.320 0.049 0.000 0.215 676 A C 2.107 179.645 177.584 -0.076 0.000 1.186 676 A CA 1.592 53.587 52.037 -0.069 0.000 0.616 676 A CB -0.406 18.558 19.000 -0.060 0.000 0.823 676 A HN 0.461 nan 8.150 nan 0.000 0.442 677 K N -0.248 120.108 120.400 -0.073 0.000 2.103 677 K HA -0.099 4.250 4.320 0.049 0.000 0.207 677 K C 2.085 178.604 176.600 -0.134 0.000 1.048 677 K CA 1.124 57.381 56.287 -0.051 0.000 0.930 677 K CB -0.319 32.166 32.500 -0.024 0.000 0.716 677 K HN 0.445 nan 8.250 nan 0.000 0.444 678 A N 0.293 122.978 122.820 -0.224 0.000 2.172 678 A HA 0.026 4.375 4.320 0.049 0.000 0.216 678 A C 1.430 178.509 177.584 -0.842 0.000 1.154 678 A CA 1.436 53.202 52.037 -0.452 0.000 0.701 678 A CB -0.248 18.593 19.000 -0.265 0.000 0.789 678 A HN 0.475 nan 8.150 nan 0.000 0.465 679 G N -2.275 106.239 108.800 -0.477 0.000 2.159 679 G HA2 -0.153 3.837 3.960 0.049 0.000 0.170 679 G HA3 -0.153 3.837 3.960 0.049 0.000 0.170 679 G C 0.602 175.443 174.900 -0.098 0.000 1.007 679 G CA 0.322 45.233 45.100 -0.314 0.000 0.672 679 G HN 0.698 nan 8.290 nan 0.000 0.507 680 L N 2.050 123.233 121.223 -0.067 0.000 2.275 680 L HA 0.163 4.533 4.340 0.049 0.000 0.215 680 L C 2.660 179.581 176.870 0.085 0.000 1.119 680 L CA 2.851 57.728 54.840 0.062 0.000 0.790 680 L CB -0.372 41.717 42.059 0.050 0.000 0.919 680 L HN 0.534 nan 8.230 nan 0.000 0.443 681 S N -1.846 113.880 115.700 0.044 0.000 2.481 681 S HA -0.143 4.356 4.470 0.049 0.000 0.231 681 S C 1.134 175.780 174.600 0.077 0.000 0.996 681 S CA 0.062 58.292 58.200 0.052 0.000 0.942 681 S CB -0.581 62.638 63.200 0.031 0.000 0.768 681 S HN 0.620 nan 8.310 nan 0.000 0.520 682 Q N 2.757 122.617 119.800 0.101 0.000 2.297 682 Q HA 0.268 4.637 4.340 0.049 0.000 0.267 682 Q C 0.028 176.116 176.000 0.146 0.000 1.006 682 Q CA -0.432 55.449 55.803 0.129 0.000 0.896 682 Q CB 0.625 29.454 28.738 0.151 0.000 1.186 682 Q HN 0.562 nan 8.270 nan 0.000 0.392 683 S N 3.180 118.960 115.700 0.134 0.000 2.645 683 S HA 0.133 4.633 4.470 0.049 0.000 0.266 683 S C 1.122 175.810 174.600 0.146 0.000 1.258 683 S CA -0.861 57.414 58.200 0.125 0.000 0.990 683 S CB 0.706 63.979 63.200 0.122 0.000 0.967 683 S HN 0.856 nan 8.310 nan 0.000 0.556 684 L N -0.097 121.191 121.223 0.108 0.000 2.012 684 L HA -0.052 4.318 4.340 0.049 0.000 0.210 684 L C 2.343 179.283 176.870 0.117 0.000 1.073 684 L CA 1.807 56.699 54.840 0.086 0.000 0.748 684 L CB -0.497 41.570 42.059 0.015 0.000 0.891 684 L HN 0.829 nan 8.230 nan 0.000 0.431 685 F N 1.164 121.114 119.950 0.001 0.000 2.091 685 F HA -0.322 4.234 4.527 0.049 0.000 0.299 685 F C 2.427 178.211 175.800 -0.026 0.000 1.103 685 F CA 2.202 60.196 58.000 -0.010 0.000 1.228 685 F CB -0.197 38.807 39.000 0.007 0.000 0.984 685 F HN 0.159 nan 8.300 nan 0.000 0.477 686 E N -0.429 119.961 120.200 0.317 0.000 2.051 686 E HA -0.266 4.114 4.350 0.049 0.000 0.192 686 E C 2.381 179.036 176.600 0.092 0.000 0.991 686 E CA 1.242 57.761 56.400 0.198 0.000 0.799 686 E CB -0.282 29.534 29.700 0.194 0.000 0.748 686 E HN 0.356 nan 8.360 nan 0.000 0.449 687 R N 0.850 121.418 120.500 0.113 0.000 2.073 687 R HA -0.148 4.221 4.340 0.049 0.000 0.234 687 R C 2.371 178.699 176.300 0.047 0.000 1.134 687 R CA 1.109 57.276 56.100 0.111 0.000 0.952 687 R CB -0.213 30.196 30.300 0.183 0.000 0.850 687 R HN 0.138 nan 8.270 nan 0.000 0.433 688 L N 0.040 121.259 121.223 -0.007 0.000 2.046 688 L HA -0.177 4.192 4.340 0.049 0.000 0.208 688 L C 2.442 179.239 176.870 -0.122 0.000 1.077 688 L CA 1.002 55.795 54.840 -0.078 0.000 0.747 688 L CB -0.408 41.560 42.059 -0.152 0.000 0.896 688 L HN 0.104 nan 8.230 nan 0.000 0.432 689 V N -0.662 119.145 119.914 -0.179 0.000 2.343 689 V HA -0.239 3.911 4.120 0.049 0.000 0.247 689 V C 2.414 178.458 176.094 -0.083 0.000 1.051 689 V CA 1.506 63.685 62.300 -0.201 0.000 1.036 689 V CB -0.169 31.442 31.823 -0.353 0.000 0.654 689 V HN 0.203 nan 8.190 nan 0.000 0.451 690 V N -0.576 119.320 119.914 -0.029 0.000 2.427 690 V HA -0.202 3.948 4.120 0.049 0.000 0.248 690 V C 2.371 178.469 176.094 0.007 0.000 1.051 690 V CA 1.265 63.571 62.300 0.009 0.000 1.048 690 V CB -0.579 31.267 31.823 0.038 0.000 0.666 690 V HN 0.383 nan 8.190 nan 0.000 0.456 691 L N 0.509 121.735 121.223 0.005 0.000 2.187 691 L HA -0.034 4.336 4.340 0.049 0.000 0.213 691 L C 1.918 178.788 176.870 -0.001 0.000 1.100 691 L CA 2.148 56.993 54.840 0.009 0.000 0.765 691 L CB -1.299 40.767 42.059 0.013 0.000 0.904 691 L HN 0.603 nan 8.230 nan 0.000 0.437 692 G N -1.833 106.957 108.800 -0.016 0.000 2.205 692 G HA2 -0.209 3.780 3.960 0.049 0.000 0.180 692 G HA3 -0.209 3.780 3.960 0.049 0.000 0.180 692 G C 0.342 175.227 174.900 -0.025 0.000 1.004 692 G CA -0.074 45.019 45.100 -0.013 0.000 0.670 692 G HN 0.253 nan 8.290 nan 0.000 0.496 693 I N 1.564 122.104 120.570 -0.050 0.000 2.517 693 I HA 0.350 4.550 4.170 0.049 0.000 0.285 693 I C 0.888 176.951 176.117 -0.090 0.000 1.106 693 I CA -0.298 60.963 61.300 -0.065 0.000 1.402 693 I CB 0.796 38.742 38.000 -0.089 0.000 1.399 693 I HN 0.127 nan 8.210 nan 0.000 0.535 694 R N 9.110 129.582 120.500 -0.047 0.000 2.198 694 R HA 0.448 4.817 4.340 0.049 0.000 0.339 694 R C -2.566 173.723 176.300 -0.017 0.000 1.020 694 R CA -1.685 54.404 56.100 -0.019 0.000 0.864 694 R CB 0.454 30.765 30.300 0.019 0.000 1.105 694 R HN 0.247 nan 8.270 nan 0.000 0.463 695 P HA 0.159 nan 4.420 nan 0.000 0.275 695 P C -0.612 176.747 177.300 0.098 0.000 1.228 695 P CA -0.369 62.738 63.100 0.012 0.000 0.786 695 P CB 0.575 32.325 31.700 0.084 0.000 0.927 696 I N 1.885 122.520 120.570 0.107 0.000 2.533 696 I HA 0.167 4.366 4.170 0.049 0.000 0.284 696 I C 1.238 177.445 176.117 0.150 0.000 1.109 696 I CA 0.232 61.624 61.300 0.152 0.000 1.412 696 I CB -0.006 38.083 38.000 0.148 0.000 1.396 696 I HN 0.236 nan 8.210 nan 0.000 0.543 697 R N 6.789 127.368 120.500 0.131 0.000 2.295 697 R HA 0.517 4.887 4.340 0.049 0.000 0.324 697 R C -1.098 175.222 176.300 0.033 0.000 0.968 697 R CA -0.621 55.534 56.100 0.092 0.000 0.837 697 R CB 0.665 31.018 30.300 0.088 0.000 1.133 697 R HN 0.602 nan 8.270 nan 0.000 0.450 698 L N 4.855 126.081 121.223 0.005 0.000 2.477 698 L HA 0.061 4.430 4.340 0.049 0.000 0.272 698 L C 0.888 177.704 176.870 -0.091 0.000 1.157 698 L CA 0.054 54.869 54.840 -0.042 0.000 0.889 698 L CB 1.047 43.087 42.059 -0.031 0.000 1.158 698 L HN 0.777 nan 8.230 nan 0.000 0.473 699 Q N 2.056 121.785 119.800 -0.119 0.000 2.396 699 Q HA 0.137 4.506 4.340 0.049 0.000 0.220 699 Q C -0.171 175.751 176.000 -0.130 0.000 0.900 699 Q CA 0.276 56.010 55.803 -0.115 0.000 0.925 699 Q CB 0.885 29.570 28.738 -0.090 0.000 1.065 699 Q HN 0.545 nan 8.270 nan 0.000 0.535 700 V N 2.785 122.609 119.914 -0.149 0.000 2.364 700 V HA 0.258 4.407 4.120 0.049 0.000 0.272 700 V C -0.454 175.465 176.094 -0.292 0.000 1.036 700 V CA -0.706 61.459 62.300 -0.225 0.000 0.880 700 V CB 0.914 32.594 31.823 -0.238 0.000 0.991 700 V HN 0.241 nan 8.190 nan 0.000 0.460 701 Q N 3.971 123.574 119.800 -0.328 0.000 2.245 701 Q HA 0.469 4.838 4.340 0.049 0.000 0.256 701 Q C -0.956 174.822 176.000 -0.369 0.000 0.942 701 Q CA -0.187 55.469 55.803 -0.245 0.000 0.896 701 Q CB 1.187 29.822 28.738 -0.171 0.000 1.272 701 Q HN 0.623 nan 8.270 nan 0.000 0.442 702 Y N 0.844 121.090 120.300 -0.090 0.000 2.612 702 Y HA 0.351 4.930 4.550 0.049 0.000 0.250 702 Y C 1.465 177.298 175.900 -0.112 0.000 1.175 702 Y CA -0.458 57.590 58.100 -0.088 0.000 1.205 702 Y CB 0.803 39.219 38.460 -0.073 0.000 1.201 702 Y HN 0.763 nan 8.280 nan 0.000 0.532 703 R N -0.065 120.423 120.500 -0.020 0.000 2.164 703 R HA 0.271 4.641 4.340 0.049 0.000 0.198 703 R C 0.073 176.275 176.300 -0.164 0.000 1.028 703 R CA 0.385 56.432 56.100 -0.088 0.000 1.083 703 R CB 0.339 30.592 30.300 -0.077 0.000 1.026 703 R HN 0.126 nan 8.270 nan 0.000 0.514 704 M N 1.704 121.226 119.600 -0.131 0.000 2.318 704 M HA 0.187 4.697 4.480 0.049 0.000 0.347 704 M C -0.276 175.972 176.300 -0.087 0.000 1.175 704 M CA -0.787 54.442 55.300 -0.119 0.000 1.075 704 M CB 1.491 34.051 32.600 -0.067 0.000 1.614 704 M HN 0.093 nan 8.290 nan 0.000 0.456 705 H N 4.097 123.060 119.070 -0.178 0.000 3.064 705 H HA 0.002 4.587 4.556 0.048 0.000 0.329 705 H C -1.982 173.296 175.328 -0.084 0.000 1.020 705 H CA -0.472 55.507 56.048 -0.116 0.000 1.402 705 H CB 0.774 30.474 29.762 -0.103 0.000 1.379 705 H HN 0.400 nan 8.280 nan 0.000 0.594 706 P HA -0.210 nan 4.420 nan 0.000 0.216 706 P C 1.204 178.583 177.300 0.131 0.000 1.154 706 P CA 2.569 65.655 63.100 -0.024 0.000 0.865 706 P CB -0.101 31.525 31.700 -0.124 0.000 0.789 707 A N -0.961 122.049 122.820 0.316 0.000 1.986 707 A HA -0.189 4.161 4.320 0.049 0.000 0.220 707 A C 2.138 179.796 177.584 0.122 0.000 1.171 707 A CA 1.574 53.720 52.037 0.182 0.000 0.640 707 A CB -1.560 17.479 19.000 0.065 0.000 0.811 707 A HN 0.170 nan 8.150 nan 0.000 0.451 708 L N -0.063 121.220 121.223 0.100 0.000 2.209 708 L HA -0.077 4.292 4.340 0.049 0.000 0.207 708 L C 2.821 179.745 176.870 0.089 0.000 1.094 708 L CA 1.246 56.124 54.840 0.065 0.000 0.790 708 L CB -0.494 41.567 42.059 0.004 0.000 0.932 708 L HN 0.550 nan 8.230 nan 0.000 0.447 709 S N 0.401 116.141 115.700 0.066 0.000 2.428 709 S HA -0.045 4.455 4.470 0.049 0.000 0.230 709 S C 2.219 176.859 174.600 0.066 0.000 1.014 709 S CA 0.589 58.818 58.200 0.048 0.000 0.957 709 S CB -0.267 62.931 63.200 -0.003 0.000 0.784 709 S HN 0.306 nan 8.310 nan 0.000 0.499 710 A N 1.915 124.787 122.820 0.086 0.000 1.884 710 A HA -0.085 4.264 4.320 0.049 0.000 0.219 710 A C 1.974 179.535 177.584 -0.038 0.000 1.197 710 A CA 1.885 53.957 52.037 0.059 0.000 0.637 710 A CB -1.259 17.839 19.000 0.163 0.000 0.827 710 A HN 0.587 nan 8.150 nan 0.000 0.450 711 F N 1.355 121.192 119.950 -0.188 0.000 2.084 711 F HA 0.006 4.562 4.527 0.048 0.000 0.296 711 F C -0.656 175.063 175.800 -0.134 0.000 1.111 711 F CA 1.487 59.291 58.000 -0.327 0.000 1.224 711 F CB -0.999 37.855 39.000 -0.244 0.000 0.991 711 F HN 0.157 nan 8.300 nan 0.000 0.471 712 P HA -0.186 nan 4.420 nan 0.000 0.215 712 P C 2.074 179.407 177.300 0.054 0.000 1.153 712 P CA 2.088 65.231 63.100 0.072 0.000 0.853 712 P CB -0.281 31.564 31.700 0.242 0.000 0.788 713 S N -0.524 115.226 115.700 0.083 0.000 2.359 713 S HA -0.210 4.289 4.470 0.049 0.000 0.223 713 S C 1.967 176.536 174.600 -0.052 0.000 1.039 713 S CA 1.696 59.963 58.200 0.111 0.000 1.042 713 S CB -1.036 62.188 63.200 0.041 0.000 0.915 713 S HN 0.065 nan 8.310 nan 0.000 0.439 714 N N 0.916 119.495 118.700 -0.201 0.000 2.188 714 N HA -0.015 4.754 4.740 0.049 0.000 0.184 714 N C 1.670 176.941 175.510 -0.398 0.000 1.018 714 N CA 1.238 54.133 53.050 -0.259 0.000 0.858 714 N CB -0.307 38.022 38.487 -0.263 0.000 0.989 714 N HN 0.406 nan 8.380 nan 0.000 0.426 715 I N -0.746 119.407 120.570 -0.695 0.000 2.585 715 I HA -0.017 4.182 4.170 0.049 0.000 0.254 715 I C 1.329 176.874 176.117 -0.953 0.000 1.129 715 I CA 0.840 61.565 61.300 -0.959 0.000 1.455 715 I CB -0.730 36.328 38.000 -1.570 0.000 1.111 715 I HN -0.038 nan 8.210 nan 0.000 0.433 716 F N -1.403 118.235 119.950 -0.521 0.000 2.694 716 F HA 0.097 4.654 4.527 0.050 0.000 0.292 716 F C 0.864 176.169 175.800 -0.824 0.000 1.121 716 F CA 0.137 57.705 58.000 -0.720 0.000 1.352 716 F CB 0.140 38.542 39.000 -0.997 0.000 1.107 716 F HN -0.107 nan 8.300 nan 0.000 0.597 717 Y N 0.195 120.486 120.300 -0.014 0.000 2.672 717 Y HA 0.242 4.821 4.550 0.048 0.000 0.272 717 Y C 0.048 175.922 175.900 -0.044 0.000 1.055 717 Y CA -1.012 57.075 58.100 -0.020 0.000 1.151 717 Y CB -0.528 37.922 38.460 -0.017 0.000 1.190 717 Y HN 0.060 nan 8.280 nan 0.000 0.574 718 E N -0.497 119.704 120.200 0.001 0.000 2.660 718 E HA -0.287 4.092 4.350 0.049 0.000 0.260 718 E C 1.375 177.967 176.600 -0.012 0.000 1.122 718 E CA 0.674 57.065 56.400 -0.015 0.000 0.755 718 E CB -1.503 28.209 29.700 0.020 0.000 1.345 718 E HN 0.888 nan 8.360 nan 0.000 0.421 719 G N 0.450 109.235 108.800 -0.025 0.000 2.321 719 G HA2 -0.409 3.580 3.960 0.049 0.000 0.287 719 G HA3 -0.409 3.580 3.960 0.049 0.000 0.287 719 G C 0.741 175.643 174.900 0.004 0.000 1.018 719 G CA 1.070 46.158 45.100 -0.020 0.000 0.855 719 G HN 0.865 nan 8.290 nan 0.000 0.507 720 S N -1.881 113.837 115.700 0.030 0.000 2.511 720 S HA 0.449 4.949 4.470 0.049 0.000 0.214 720 S C 0.849 175.447 174.600 -0.003 0.000 0.997 720 S CA -0.186 58.025 58.200 0.018 0.000 0.908 720 S CB 0.431 63.651 63.200 0.034 0.000 0.803 720 S HN 0.292 nan 8.310 nan 0.000 0.504 721 L N 3.273 124.490 121.223 -0.009 0.000 2.477 721 L HA 0.356 4.726 4.340 0.049 0.000 0.272 721 L C 0.320 177.154 176.870 -0.059 0.000 1.157 721 L CA 0.662 55.466 54.840 -0.061 0.000 0.889 721 L CB 0.067 42.080 42.059 -0.078 0.000 1.158 721 L HN 0.401 nan 8.230 nan 0.000 0.473 722 Q N 2.777 122.532 119.800 -0.075 0.000 2.230 722 Q HA 0.326 4.696 4.340 0.049 0.000 0.248 722 Q C -0.423 175.490 176.000 -0.146 0.000 0.915 722 Q CA -0.704 55.051 55.803 -0.080 0.000 0.900 722 Q CB 1.107 29.823 28.738 -0.038 0.000 1.229 722 Q HN 0.418 nan 8.270 nan 0.000 0.439 723 N N 0.871 119.485 118.700 -0.142 0.000 2.420 723 N HA 0.111 4.881 4.740 0.049 0.000 0.249 723 N C 0.381 175.739 175.510 -0.253 0.000 1.033 723 N CA -0.007 52.929 53.050 -0.191 0.000 0.944 723 N CB 1.478 39.881 38.487 -0.140 0.000 1.113 723 N HN 0.879 nan 8.380 nan 0.000 0.502 724 G N 0.685 109.215 108.800 -0.450 0.000 2.920 724 G HA2 0.092 4.081 3.960 0.049 0.000 0.208 724 G HA3 0.092 4.081 3.960 0.049 0.000 0.208 724 G C 0.298 175.053 174.900 -0.243 0.000 1.159 724 G CA 0.182 44.942 45.100 -0.566 0.000 0.784 724 G HN 0.429 nan 8.290 nan 0.000 0.535 725 V N -1.063 118.741 119.914 -0.184 0.000 2.638 725 V HA 0.700 4.850 4.120 0.049 0.000 0.306 725 V C 0.023 176.043 176.094 -0.124 0.000 1.052 725 V CA -0.807 61.437 62.300 -0.093 0.000 0.885 725 V CB 0.894 32.674 31.823 -0.072 0.000 0.999 725 V HN 0.130 nan 8.190 nan 0.000 0.424 726 T N 1.623 116.120 114.554 -0.095 0.000 2.849 726 T HA 0.623 5.002 4.350 0.049 0.000 0.284 726 T C 1.516 176.102 174.700 -0.190 0.000 1.004 726 T CA 0.114 62.142 62.100 -0.119 0.000 1.021 726 T CB 1.489 70.320 68.868 -0.063 0.000 1.013 726 T HN 1.424 nan 8.240 nan 0.000 0.527 727 A N 1.225 123.893 122.820 -0.253 0.000 1.892 727 A HA 0.039 4.388 4.320 0.049 0.000 0.218 727 A C 2.624 180.159 177.584 -0.081 0.000 1.188 727 A CA 2.173 53.988 52.037 -0.370 0.000 0.631 727 A CB -1.616 17.262 19.000 -0.202 0.000 0.822 727 A HN 1.195 nan 8.150 nan 0.000 0.447 728 A N 0.111 122.925 122.820 -0.009 0.000 1.851 728 A HA -0.192 4.157 4.320 0.049 0.000 0.216 728 A C 1.447 179.080 177.584 0.081 0.000 1.195 728 A CA 1.924 53.995 52.037 0.057 0.000 0.622 728 A CB -0.870 18.156 19.000 0.043 0.000 0.831 728 A HN 0.461 nan 8.150 nan 0.000 0.444 729 D N -0.783 119.647 120.400 0.051 0.000 2.395 729 D HA 0.110 4.779 4.640 0.049 0.000 0.250 729 D C 0.474 176.839 176.300 0.108 0.000 1.203 729 D CA 0.243 54.291 54.000 0.079 0.000 0.872 729 D CB 0.125 40.957 40.800 0.053 0.000 0.941 729 D HN 0.044 nan 8.370 nan 0.000 0.504 730 R N 0.762 121.345 120.500 0.139 0.000 2.738 730 R HA 0.291 4.660 4.340 0.049 0.000 0.280 730 R C -1.506 175.079 176.300 0.476 0.000 1.456 730 R CA -0.307 55.927 56.100 0.224 0.000 1.612 730 R CB 0.791 31.103 30.300 0.021 0.000 1.286 730 R HN -0.086 nan 8.270 nan 0.000 0.660 731 V N 1.901 122.093 119.914 0.464 0.000 2.532 731 V HA 0.176 4.325 4.120 0.049 0.000 0.294 731 V C -0.092 176.061 176.094 0.098 0.000 1.036 731 V CA -1.144 61.380 62.300 0.374 0.000 0.876 731 V CB 2.412 34.427 31.823 0.320 0.000 1.012 731 V HN 0.184 nan 8.190 nan 0.000 0.432 732 K N 4.488 124.661 120.400 -0.378 0.000 2.491 732 K HA 0.042 4.391 4.320 0.049 0.000 0.279 732 K C 0.331 176.898 176.600 -0.055 0.000 1.026 732 K CA 0.651 56.573 56.287 -0.608 0.000 1.070 732 K CB 0.193 32.206 32.500 -0.812 0.000 0.887 732 K HN 0.524 nan 8.250 nan 0.000 0.481 733 K N 2.237 122.617 120.400 -0.033 0.000 2.326 733 K HA 0.141 4.490 4.320 0.049 0.000 0.275 733 K C 0.663 177.325 176.600 0.102 0.000 1.018 733 K CA 0.710 57.035 56.287 0.063 0.000 0.962 733 K CB 0.617 33.145 32.500 0.046 0.000 0.953 733 K HN 0.894 nan 8.250 nan 0.000 0.475 734 G N 2.417 111.289 108.800 0.120 0.000 2.198 734 G HA2 -0.283 3.706 3.960 0.049 0.000 0.260 734 G HA3 -0.283 3.706 3.960 0.049 0.000 0.260 734 G C -0.382 174.632 174.900 0.190 0.000 1.025 734 G CA 0.091 45.262 45.100 0.119 0.000 0.769 734 G HN 0.527 nan 8.290 nan 0.000 0.507 735 F N 1.718 121.697 119.950 0.049 0.000 2.359 735 F HA 0.532 5.088 4.527 0.049 0.000 0.370 735 F C -0.598 175.258 175.800 0.094 0.000 1.077 735 F CA -1.970 56.070 58.000 0.067 0.000 1.136 735 F CB 1.123 40.186 39.000 0.104 0.000 1.387 735 F HN -0.030 nan 8.300 nan 0.000 0.468 736 D N 6.510 126.764 120.400 -0.242 0.000 2.639 736 D HA 0.096 4.766 4.640 0.049 0.000 0.233 736 D C -0.677 175.400 176.300 -0.372 0.000 1.161 736 D CA 0.304 54.177 54.000 -0.212 0.000 1.003 736 D CB -0.160 40.568 40.800 -0.121 0.000 1.034 736 D HN 0.273 nan 8.370 nan 0.000 0.514 737 F N 0.889 120.409 119.950 -0.716 0.000 2.422 737 F HA 0.298 4.854 4.527 0.049 0.000 0.333 737 F C 0.485 175.951 175.800 -0.557 0.000 1.095 737 F CA -0.980 56.522 58.000 -0.830 0.000 1.038 737 F CB 1.643 39.818 39.000 -1.376 0.000 1.156 737 F HN -0.180 nan 8.300 nan 0.000 0.483 738 Q N 5.649 124.827 119.800 -1.036 0.000 2.810 738 Q HA 0.220 4.589 4.340 0.049 0.000 0.236 738 Q C -1.616 174.141 176.000 -0.405 0.000 1.278 738 Q CA -0.205 55.262 55.803 -0.560 0.000 1.065 738 Q CB 0.000 28.434 28.738 -0.507 0.000 1.364 738 Q HN 0.567 nan 8.270 nan 0.000 0.570 739 W N 3.634 125.002 121.300 0.114 0.000 2.181 739 W HA 0.173 4.862 4.660 0.048 0.000 0.335 739 W C -1.171 175.358 176.519 0.018 0.000 1.310 739 W CA -1.700 55.780 57.345 0.224 0.000 1.226 739 W CB 0.279 29.926 29.460 0.311 0.000 1.155 739 W HN 0.548 nan 8.180 nan 0.000 0.565 740 P HA -0.201 nan 4.420 nan 0.000 0.216 740 P C -0.012 177.336 177.300 0.080 0.000 1.150 740 P CA 1.644 64.755 63.100 0.019 0.000 0.843 740 P CB 0.238 31.898 31.700 -0.067 0.000 0.787 741 Q N -1.088 118.802 119.800 0.149 0.000 2.394 741 Q HA 0.221 4.591 4.340 0.049 0.000 0.259 741 Q C -1.932 174.166 176.000 0.163 0.000 1.021 741 Q CA -2.097 53.770 55.803 0.107 0.000 0.805 741 Q CB 1.295 30.062 28.738 0.048 0.000 1.226 741 Q HN 0.058 nan 8.270 nan 0.000 0.476 742 P HA -0.224 nan 4.420 nan 0.000 0.218 742 P C 0.127 177.549 177.300 0.203 0.000 1.150 742 P CA 1.746 64.971 63.100 0.208 0.000 0.841 742 P CB 0.356 32.136 31.700 0.134 0.000 0.784 743 D N -3.651 116.820 120.400 0.118 0.000 2.513 743 D HA 0.096 4.765 4.640 0.049 0.000 0.222 743 D C 0.027 176.339 176.300 0.021 0.000 1.210 743 D CA -0.125 53.940 54.000 0.108 0.000 0.825 743 D CB -0.218 40.659 40.800 0.128 0.000 1.037 743 D HN 0.016 nan 8.370 nan 0.000 0.506 744 K N 1.822 122.171 120.400 -0.085 0.000 2.473 744 K HA 0.284 4.633 4.320 0.049 0.000 0.246 744 K C -2.492 173.824 176.600 -0.473 0.000 1.011 744 K CA -1.739 54.419 56.287 -0.215 0.000 0.984 744 K CB 1.987 34.415 32.500 -0.120 0.000 1.250 744 K HN -0.057 nan 8.250 nan 0.000 0.454 745 P HA 0.042 nan 4.420 nan 0.000 0.220 745 P C -0.945 175.608 177.300 -1.244 0.000 1.806 745 P CA -0.072 62.016 63.100 -1.685 0.000 0.976 745 P CB -0.302 30.605 31.700 -1.322 0.000 1.952 746 M N 0.834 120.059 119.600 -0.626 0.000 2.471 746 M HA 0.733 5.242 4.480 0.049 0.000 0.284 746 M C -1.882 174.557 176.300 0.231 0.000 1.203 746 M CA -1.099 54.080 55.300 -0.201 0.000 0.915 746 M CB 2.248 34.716 32.600 -0.219 0.000 1.734 746 M HN -0.065 nan 8.290 nan 0.000 0.485 747 F N -0.138 119.986 119.950 0.290 0.000 2.713 747 F HA 0.804 5.360 4.527 0.049 0.000 0.311 747 F C -2.460 173.660 175.800 0.532 0.000 1.141 747 F CA -1.275 56.964 58.000 0.399 0.000 0.939 747 F CB 1.270 40.483 39.000 0.354 0.000 1.325 747 F HN 0.633 nan 8.300 nan 0.000 0.453 748 F N 2.798 123.152 119.950 0.673 0.000 2.411 748 F HA 0.478 5.034 4.527 0.049 0.000 0.352 748 F C -1.274 174.850 175.800 0.539 0.000 1.123 748 F CA -0.927 57.342 58.000 0.449 0.000 1.044 748 F CB 0.900 40.073 39.000 0.288 0.000 1.135 748 F HN 0.641 nan 8.300 nan 0.000 0.461 749 Y N 6.895 127.373 120.300 0.298 0.000 2.353 749 Y HA 0.524 5.103 4.550 0.049 0.000 0.340 749 Y C -0.809 175.248 175.900 0.261 0.000 0.972 749 Y CA -1.140 57.178 58.100 0.363 0.000 1.157 749 Y CB 1.032 39.694 38.460 0.338 0.000 1.157 749 Y HN 0.288 nan 8.280 nan 0.000 0.495 750 V N 6.007 126.345 119.914 0.707 0.000 2.508 750 V HA 0.104 4.253 4.120 0.049 0.000 0.281 750 V C 0.150 176.498 176.094 0.424 0.000 1.041 750 V CA 0.204 62.819 62.300 0.524 0.000 1.016 750 V CB 1.011 33.055 31.823 0.369 0.000 0.984 750 V HN 0.798 nan 8.190 nan 0.000 0.478 751 T N 5.136 119.826 114.554 0.226 0.000 2.792 751 T HA 0.256 4.636 4.350 0.049 0.000 0.280 751 T C 0.684 175.425 174.700 0.069 0.000 0.990 751 T CA -0.504 61.651 62.100 0.091 0.000 0.960 751 T CB 1.653 70.502 68.868 -0.031 0.000 0.939 751 T HN 0.651 nan 8.240 nan 0.000 0.439 752 Q N 1.551 121.386 119.800 0.058 0.000 2.389 752 Q HA 0.111 4.480 4.340 0.049 0.000 0.204 752 Q C 1.378 177.376 176.000 -0.004 0.000 0.944 752 Q CA -0.004 55.820 55.803 0.035 0.000 0.908 752 Q CB -0.319 28.444 28.738 0.042 0.000 1.002 752 Q HN 0.868 nan 8.270 nan 0.000 0.493 753 G N 2.015 110.801 108.800 -0.024 0.000 2.238 753 G HA2 -0.034 3.955 3.960 0.049 0.000 0.234 753 G HA3 -0.034 3.955 3.960 0.049 0.000 0.234 753 G C -0.109 174.746 174.900 -0.075 0.000 1.181 753 G CA -0.068 44.998 45.100 -0.056 0.000 0.871 753 G HN 0.123 nan 8.290 nan 0.000 0.490 754 Q N 0.151 119.902 119.800 -0.081 0.000 2.260 754 Q HA 0.308 4.677 4.340 0.049 0.000 0.242 754 Q C 0.869 176.791 176.000 -0.131 0.000 0.932 754 Q CA -0.498 55.246 55.803 -0.098 0.000 0.891 754 Q CB 0.790 29.482 28.738 -0.076 0.000 1.222 754 Q HN 0.765 nan 8.270 nan 0.000 0.453 755 E N 1.611 121.719 120.200 -0.155 0.000 2.359 755 E HA 0.425 4.804 4.350 0.049 0.000 0.255 755 E C -0.713 175.813 176.600 -0.124 0.000 1.191 755 E CA -0.548 55.745 56.400 -0.178 0.000 0.952 755 E CB 0.898 30.440 29.700 -0.263 0.000 1.152 755 E HN 0.720 nan 8.360 nan 0.000 0.496 756 E N -0.468 119.683 120.200 -0.081 0.000 2.432 756 E HA 0.378 4.757 4.350 0.049 0.000 0.279 756 E C -0.641 175.985 176.600 0.043 0.000 1.099 756 E CA -0.840 55.549 56.400 -0.018 0.000 0.859 756 E CB 0.509 30.163 29.700 -0.076 0.000 1.402 756 E HN 0.451 nan 8.360 nan 0.000 0.451 762 T N 0.661 115.152 114.554 -0.105 0.000 3.374 762 T HA 0.650 5.029 4.350 0.049 0.000 0.267 762 T C 0.185 174.777 174.700 -0.181 0.000 0.996 762 T CA 0.354 62.375 62.100 -0.132 0.000 0.977 762 T CB -0.270 68.558 68.868 -0.066 0.000 1.149 762 T HN 0.681 nan 8.240 nan 0.000 0.517 763 S N -0.198 115.336 115.700 -0.277 0.000 2.776 763 S HA 0.801 5.301 4.470 0.049 0.000 0.292 763 S C -2.021 172.230 174.600 -0.581 0.000 1.187 763 S CA -0.523 57.509 58.200 -0.279 0.000 0.834 763 S CB 0.980 64.159 63.200 -0.034 0.000 1.199 763 S HN 0.246 nan 8.310 nan 0.000 0.514 764 Y N 0.630 120.766 120.300 -0.274 0.000 2.562 764 Y HA 0.771 5.350 4.550 0.049 0.000 0.343 764 Y C -0.224 175.484 175.900 -0.320 0.000 1.025 764 Y CA -0.949 56.903 58.100 -0.413 0.000 1.082 764 Y CB 1.568 39.590 38.460 -0.731 0.000 1.264 764 Y HN 0.696 nan 8.280 nan 0.000 0.478 765 L N -0.163 120.994 121.223 -0.110 0.000 2.479 765 L HA 0.715 5.084 4.340 0.049 0.000 0.255 765 L C -1.523 175.215 176.870 -0.219 0.000 1.026 765 L CA -0.868 53.880 54.840 -0.153 0.000 0.842 765 L CB 2.368 44.314 42.059 -0.188 0.000 1.444 765 L HN 0.566 nan 8.230 nan 0.000 0.409 766 N N 0.691 119.253 118.700 -0.230 0.000 2.576 766 N HA 0.392 5.161 4.740 0.049 0.000 0.269 766 N C 0.112 175.455 175.510 -0.278 0.000 1.058 766 N CA -0.416 52.495 53.050 -0.232 0.000 0.860 766 N CB 1.905 40.291 38.487 -0.169 0.000 1.249 766 N HN 0.836 nan 8.380 nan 0.000 0.525 767 R N 0.695 120.974 120.500 -0.368 0.000 2.081 767 R HA -0.057 4.312 4.340 0.049 0.000 0.235 767 R C 1.496 177.686 176.300 -0.184 0.000 1.131 767 R CA 1.721 57.598 56.100 -0.371 0.000 0.960 767 R CB -0.116 29.994 30.300 -0.317 0.000 0.856 767 R HN 0.433 nan 8.270 nan 0.000 0.436 768 T N 0.710 115.173 114.554 -0.152 0.000 2.684 768 T HA -0.205 4.174 4.350 0.049 0.000 0.267 768 T C 1.669 176.281 174.700 -0.146 0.000 1.036 768 T CA 1.540 63.568 62.100 -0.120 0.000 1.148 768 T CB -0.143 68.674 68.868 -0.086 0.000 0.863 768 T HN 0.385 nan 8.240 nan 0.000 0.436 769 E N 0.630 120.745 120.200 -0.142 0.000 2.058 769 E HA -0.154 4.226 4.350 0.049 0.000 0.194 769 E C 2.423 178.938 176.600 -0.141 0.000 0.997 769 E CA 1.093 57.408 56.400 -0.142 0.000 0.801 769 E CB -0.241 29.390 29.700 -0.114 0.000 0.746 769 E HN 0.458 nan 8.360 nan 0.000 0.450 770 A N 1.171 123.919 122.820 -0.120 0.000 1.908 770 A HA -0.202 4.147 4.320 0.049 0.000 0.218 770 A C 2.397 179.797 177.584 -0.308 0.000 1.181 770 A CA 2.095 54.062 52.037 -0.117 0.000 0.627 770 A CB -0.942 18.106 19.000 0.079 0.000 0.818 770 A HN 0.437 nan 8.150 nan 0.000 0.445 771 A N 0.329 122.888 122.820 -0.435 0.000 1.865 771 A HA -0.246 4.103 4.320 0.049 0.000 0.217 771 A C 1.920 179.422 177.584 -0.136 0.000 1.191 771 A CA 1.961 53.764 52.037 -0.389 0.000 0.623 771 A CB -0.745 18.122 19.000 -0.222 0.000 0.826 771 A HN 0.546 nan 8.150 nan 0.000 0.444 772 N N 0.021 118.625 118.700 -0.160 0.000 2.205 772 N HA -0.114 4.655 4.740 0.049 0.000 0.186 772 N C 1.630 177.067 175.510 -0.122 0.000 1.015 772 N CA 1.480 54.416 53.050 -0.191 0.000 0.862 772 N CB -0.524 37.724 38.487 -0.399 0.000 0.986 772 N HN 0.291 nan 8.380 nan 0.000 0.429 773 V N 1.567 121.425 119.914 -0.094 0.000 2.358 773 V HA -0.218 3.931 4.120 0.049 0.000 0.246 773 V C 2.426 178.543 176.094 0.039 0.000 1.047 773 V CA 1.948 64.234 62.300 -0.024 0.000 1.035 773 V CB -0.584 31.231 31.823 -0.013 0.000 0.658 773 V HN 0.405 nan 8.190 nan 0.000 0.452 774 E N 1.234 121.460 120.200 0.043 0.000 2.077 774 E HA -0.252 4.127 4.350 0.049 0.000 0.193 774 E C 1.999 178.683 176.600 0.140 0.000 0.989 774 E CA 1.742 58.195 56.400 0.088 0.000 0.800 774 E CB -0.494 29.273 29.700 0.111 0.000 0.746 774 E HN 0.514 nan 8.360 nan 0.000 0.452 775 K N 0.092 120.564 120.400 0.120 0.000 2.097 775 K HA -0.034 4.315 4.320 0.049 0.000 0.206 775 K C 2.232 178.929 176.600 0.162 0.000 1.049 775 K CA 1.585 57.954 56.287 0.138 0.000 0.933 775 K CB -0.240 32.327 32.500 0.112 0.000 0.717 775 K HN 0.216 nan 8.250 nan 0.000 0.442 776 I N 0.749 121.411 120.570 0.154 0.000 2.202 776 I HA -0.266 3.933 4.170 0.049 0.000 0.242 776 I C 2.160 178.379 176.117 0.170 0.000 1.091 776 I CA 1.292 62.712 61.300 0.200 0.000 1.368 776 I CB -0.486 37.619 38.000 0.174 0.000 1.058 776 I HN 0.150 nan 8.210 nan 0.000 0.410 777 T N -0.027 114.619 114.554 0.153 0.000 2.699 777 T HA -0.221 4.158 4.350 0.049 0.000 0.268 777 T C 1.895 176.713 174.700 0.197 0.000 1.036 777 T CA 2.203 64.407 62.100 0.173 0.000 1.147 777 T CB -0.497 68.507 68.868 0.227 0.000 0.862 777 T HN 0.370 nan 8.240 nan 0.000 0.446 778 T N 1.206 115.906 114.554 0.243 0.000 2.746 778 T HA -0.064 4.315 4.350 0.049 0.000 0.267 778 T C 2.076 176.854 174.700 0.131 0.000 1.039 778 T CA 1.263 63.489 62.100 0.211 0.000 1.142 778 T CB -0.193 68.822 68.868 0.245 0.000 0.866 778 T HN 0.196 nan 8.240 nan 0.000 0.444 779 K N 1.215 121.704 120.400 0.149 0.000 2.009 779 K HA 0.061 4.410 4.320 0.049 0.000 0.210 779 K C 2.075 178.782 176.600 0.178 0.000 1.049 779 K CA 1.226 57.600 56.287 0.145 0.000 0.929 779 K CB -0.791 31.829 32.500 0.200 0.000 0.714 779 K HN 0.280 nan 8.250 nan 0.000 0.440 780 L N 0.164 121.485 121.223 0.163 0.000 2.042 780 L HA -0.227 4.142 4.340 0.049 0.000 0.210 780 L C 2.337 179.247 176.870 0.066 0.000 1.076 780 L CA 1.218 56.067 54.840 0.016 0.000 0.749 780 L CB -0.467 41.476 42.059 -0.193 0.000 0.893 780 L HN 0.186 nan 8.230 nan 0.000 0.432 781 L N -0.492 120.764 121.223 0.054 0.000 1.994 781 L HA -0.227 4.142 4.340 0.049 0.000 0.208 781 L C 2.676 179.565 176.870 0.031 0.000 1.071 781 L CA 1.440 56.301 54.840 0.035 0.000 0.745 781 L CB -0.434 41.620 42.059 -0.009 0.000 0.892 781 L HN 0.176 nan 8.230 nan 0.000 0.431 782 K N -0.042 120.371 120.400 0.022 0.000 2.103 782 K HA -0.176 4.173 4.320 0.049 0.000 0.207 782 K C 2.097 178.686 176.600 -0.017 0.000 1.048 782 K CA 1.419 57.706 56.287 -0.001 0.000 0.930 782 K CB -0.274 32.221 32.500 -0.009 0.000 0.716 782 K HN 0.303 nan 8.250 nan 0.000 0.444 783 A N -0.091 122.713 122.820 -0.026 0.000 2.121 783 A HA -0.004 4.345 4.320 0.049 0.000 0.218 783 A C 1.631 179.188 177.584 -0.045 0.000 1.154 783 A CA 1.711 53.665 52.037 -0.138 0.000 0.679 783 A CB -0.266 18.557 19.000 -0.295 0.000 0.795 783 A HN 0.501 nan 8.150 nan 0.000 0.458 784 G N -2.829 106.038 108.800 0.111 0.000 2.421 784 G HA2 0.240 4.230 3.960 0.049 0.000 0.188 784 G HA3 0.240 4.230 3.960 0.049 0.000 0.188 784 G C 0.443 175.487 174.900 0.240 0.000 1.001 784 G CA 0.043 45.257 45.100 0.190 0.000 0.693 784 G HN 1.448 nan 8.290 nan 0.000 0.479 785 A N 0.956 123.954 122.820 0.296 0.000 2.540 785 A HA 0.502 4.851 4.320 0.049 0.000 0.239 785 A C 0.582 178.227 177.584 0.101 0.000 1.061 785 A CA 0.658 52.777 52.037 0.136 0.000 0.758 785 A CB 0.182 19.139 19.000 -0.071 0.000 0.991 785 A HN 0.356 nan 8.150 nan 0.000 0.502 786 K N 3.639 124.101 120.400 0.103 0.000 2.339 786 K HA 0.173 4.523 4.320 0.049 0.000 0.286 786 K C -1.483 175.167 176.600 0.083 0.000 1.050 786 K CA -1.598 54.734 56.287 0.074 0.000 0.956 786 K CB 0.987 33.523 32.500 0.061 0.000 0.990 786 K HN 0.509 nan 8.250 nan 0.000 0.475 787 P HA -0.227 nan 4.420 nan 0.000 0.215 787 P C 0.520 177.874 177.300 0.089 0.000 1.157 787 P CA 1.560 64.699 63.100 0.065 0.000 0.874 787 P CB 0.060 31.778 31.700 0.029 0.000 0.790 788 D N -0.864 119.581 120.400 0.075 0.000 2.351 788 D HA -0.169 4.500 4.640 0.049 0.000 0.216 788 D C 1.463 177.823 176.300 0.100 0.000 0.968 788 D CA 0.953 55.003 54.000 0.083 0.000 0.899 788 D CB -0.930 39.907 40.800 0.061 0.000 0.907 788 D HN 0.159 nan 8.370 nan 0.000 0.514 789 Q N -0.250 119.615 119.800 0.108 0.000 2.220 789 Q HA 0.323 4.693 4.340 0.049 0.000 0.205 789 Q C 0.078 176.177 176.000 0.164 0.000 0.865 789 Q CA -0.128 55.745 55.803 0.116 0.000 0.960 789 Q CB 0.908 29.706 28.738 0.100 0.000 1.097 789 Q HN 0.451 nan 8.270 nan 0.000 0.493 790 I N 0.479 121.150 120.570 0.168 0.000 2.354 790 I HA 0.431 4.631 4.170 0.049 0.000 0.292 790 I C 0.343 176.546 176.117 0.143 0.000 0.989 790 I CA -0.813 60.591 61.300 0.174 0.000 1.188 790 I CB 1.984 40.079 38.000 0.158 0.000 1.342 790 I HN -0.105 nan 8.210 nan 0.000 0.457 791 G N 6.910 115.754 108.800 0.072 0.000 2.461 791 G HA2 0.757 4.746 3.960 0.049 0.000 0.323 791 G HA3 0.757 4.746 3.960 0.049 0.000 0.323 791 G C -0.884 174.011 174.900 -0.008 0.000 1.229 791 G CA -0.448 44.669 45.100 0.029 0.000 0.941 791 G HN 0.484 nan 8.290 nan 0.000 0.477 792 I N 2.438 123.090 120.570 0.136 0.000 2.355 792 I HA 0.354 4.553 4.170 0.049 0.000 0.288 792 I C -0.325 175.917 176.117 0.209 0.000 0.999 792 I CA -0.512 60.863 61.300 0.124 0.000 1.163 792 I CB 1.756 39.846 38.000 0.150 0.000 1.316 792 I HN 0.194 nan 8.210 nan 0.000 0.454 793 I N 5.126 125.778 120.570 0.137 0.000 2.412 793 I HA 0.468 4.667 4.170 0.049 0.000 0.296 793 I C 0.038 176.371 176.117 0.359 0.000 0.987 793 I CA -0.298 61.163 61.300 0.268 0.000 1.180 793 I CB 1.993 40.076 38.000 0.139 0.000 1.340 793 I HN 0.465 nan 8.210 nan 0.000 0.455 794 T N 6.082 120.860 114.554 0.372 0.000 3.105 794 T HA 0.372 4.751 4.350 0.049 0.000 0.321 794 T C -2.332 172.408 174.700 0.067 0.000 1.135 794 T CA -1.365 60.906 62.100 0.286 0.000 1.053 794 T CB 1.933 70.928 68.868 0.211 0.000 1.133 794 T HN 0.244 nan 8.240 nan 0.000 0.463 795 P HA 0.105 nan 4.420 nan 0.000 0.226 795 P C -0.628 176.337 177.300 -0.558 0.000 1.153 795 P CA 0.812 63.557 63.100 -0.592 0.000 0.777 795 P CB -0.052 30.987 31.700 -1.102 0.000 0.794 796 Y N -1.185 119.099 120.300 -0.027 0.000 2.393 796 Y HA 0.243 4.823 4.550 0.049 0.000 0.341 796 Y C 1.730 177.649 175.900 0.032 0.000 0.988 796 Y CA -0.854 57.253 58.100 0.012 0.000 1.078 796 Y CB 1.567 40.048 38.460 0.034 0.000 1.203 796 Y HN -0.289 nan 8.280 nan 0.000 0.453 797 E N 2.182 122.487 120.200 0.176 0.000 2.051 797 E HA -0.121 4.258 4.350 0.049 0.000 0.192 797 E C 2.216 178.890 176.600 0.123 0.000 0.991 797 E CA 1.968 58.438 56.400 0.117 0.000 0.799 797 E CB -0.440 29.307 29.700 0.079 0.000 0.748 797 E HN 0.950 nan 8.360 nan 0.000 0.449 798 G N -0.035 108.836 108.800 0.119 0.000 2.469 798 G HA2 -0.382 3.608 3.960 0.049 0.000 0.220 798 G HA3 -0.382 3.608 3.960 0.049 0.000 0.220 798 G C 1.667 176.638 174.900 0.118 0.000 1.136 798 G CA 1.183 46.331 45.100 0.080 0.000 0.759 798 G HN 0.365 nan 8.290 nan 0.000 0.562 799 Q N 0.168 120.057 119.800 0.149 0.000 2.020 799 Q HA 0.067 4.436 4.340 0.049 0.000 0.198 799 Q C 2.554 178.663 176.000 0.182 0.000 0.974 799 Q CA 1.335 57.235 55.803 0.161 0.000 0.829 799 Q CB -0.413 28.424 28.738 0.165 0.000 0.894 799 Q HN 0.444 nan 8.270 nan 0.000 0.433 800 R N -0.452 120.145 120.500 0.162 0.000 2.113 800 R HA -0.193 4.176 4.340 0.049 0.000 0.244 800 R C 2.370 178.747 176.300 0.128 0.000 1.142 800 R CA 1.885 58.069 56.100 0.140 0.000 0.953 800 R CB -0.713 29.660 30.300 0.121 0.000 0.860 800 R HN 0.356 nan 8.270 nan 0.000 0.438 801 S N -0.667 115.109 115.700 0.127 0.000 2.355 801 S HA -0.192 4.307 4.470 0.049 0.000 0.222 801 S C 1.796 176.469 174.600 0.122 0.000 1.031 801 S CA 1.188 59.453 58.200 0.108 0.000 0.993 801 S CB -0.460 62.797 63.200 0.095 0.000 0.859 801 S HN 0.567 nan 8.310 nan 0.000 0.453 802 Y N 1.019 121.341 120.300 0.036 0.000 2.274 802 Y HA -0.003 4.576 4.550 0.049 0.000 0.290 802 Y C 1.922 177.862 175.900 0.066 0.000 1.145 802 Y CA 1.188 59.308 58.100 0.033 0.000 1.203 802 Y CB -0.297 38.165 38.460 0.003 0.000 0.984 802 Y HN 0.289 nan 8.280 nan 0.000 0.533 803 L N -0.808 120.481 121.223 0.110 0.000 2.072 803 L HA -0.103 4.267 4.340 0.049 0.000 0.205 803 L C 2.554 179.436 176.870 0.020 0.000 1.079 803 L CA 1.431 56.305 54.840 0.057 0.000 0.752 803 L CB -1.208 40.919 42.059 0.113 0.000 0.906 803 L HN 0.255 nan 8.230 nan 0.000 0.436 804 V N -0.844 119.095 119.914 0.043 0.000 2.358 804 V HA -0.286 3.863 4.120 0.049 0.000 0.246 804 V C 2.517 178.634 176.094 0.038 0.000 1.047 804 V CA 1.925 64.256 62.300 0.052 0.000 1.035 804 V CB -0.119 31.748 31.823 0.074 0.000 0.658 804 V HN 0.636 nan 8.190 nan 0.000 0.452 805 Q N -1.261 118.537 119.800 -0.003 0.000 2.050 805 Q HA -0.264 4.105 4.340 0.049 0.000 0.202 805 Q C 2.196 178.183 176.000 -0.021 0.000 0.980 805 Q CA 2.559 58.356 55.803 -0.010 0.000 0.840 805 Q CB -0.366 28.290 28.738 -0.138 0.000 0.898 805 Q HN 0.823 nan 8.270 nan 0.000 0.424 806 Y N 0.588 120.678 120.300 -0.350 0.000 2.128 806 Y HA -0.226 4.353 4.550 0.048 0.000 0.284 806 Y C 2.134 177.919 175.900 -0.192 0.000 1.154 806 Y CA 2.004 59.891 58.100 -0.355 0.000 1.149 806 Y CB -0.181 37.952 38.460 -0.545 0.000 0.976 806 Y HN 0.102 nan 8.280 nan 0.000 0.505 807 M N -0.481 119.037 119.600 -0.137 0.000 2.296 807 M HA -0.229 4.280 4.480 0.049 0.000 0.265 807 M C 2.228 178.364 176.300 -0.273 0.000 1.064 807 M CA 1.791 56.852 55.300 -0.399 0.000 1.109 807 M CB -0.276 32.042 32.600 -0.469 0.000 1.396 807 M HN 0.309 nan 8.290 nan 0.000 0.430 808 Q N 0.134 119.898 119.800 -0.060 0.000 2.079 808 Q HA -0.095 4.274 4.340 0.049 0.000 0.200 808 Q C 1.053 176.946 176.000 -0.179 0.000 0.974 808 Q CA 1.745 57.529 55.803 -0.031 0.000 0.840 808 Q CB 0.148 28.951 28.738 0.109 0.000 0.898 808 Q HN 0.468 nan 8.270 nan 0.000 0.430 809 F N -1.504 118.320 119.950 -0.210 0.000 2.678 809 F HA 0.302 4.858 4.527 0.048 0.000 0.305 809 F C 0.776 176.391 175.800 -0.307 0.000 1.090 809 F CA -0.065 57.811 58.000 -0.207 0.000 1.272 809 F CB 1.095 39.994 39.000 -0.167 0.000 1.060 809 F HN -0.086 nan 8.300 nan 0.000 0.576 810 S N -1.582 113.916 115.700 -0.336 0.000 2.760 810 S HA 0.216 4.715 4.470 0.049 0.000 0.263 810 S C 0.883 175.211 174.600 -0.452 0.000 1.007 810 S CA -0.233 57.655 58.200 -0.520 0.000 1.358 810 S CB 0.144 62.688 63.200 -1.092 0.000 1.228 810 S HN 0.201 nan 8.310 nan 0.000 0.684 811 G N 1.972 110.556 108.800 -0.360 0.000 2.606 811 G HA2 0.398 4.387 3.960 0.049 0.000 0.252 811 G HA3 0.398 4.387 3.960 0.049 0.000 0.252 811 G C 0.865 175.811 174.900 0.076 0.000 1.206 811 G CA 0.300 45.297 45.100 -0.172 0.000 0.861 811 G HN 0.347 nan 8.290 nan 0.000 0.561 812 S N 0.204 116.019 115.700 0.191 0.000 2.439 812 S HA 0.160 4.659 4.470 0.049 0.000 0.224 812 S C 1.052 175.732 174.600 0.133 0.000 1.029 812 S CA -0.162 58.113 58.200 0.125 0.000 0.946 812 S CB -0.302 62.957 63.200 0.099 0.000 0.797 812 S HN 0.352 nan 8.310 nan 0.000 0.504 813 L N 2.139 123.487 121.223 0.210 0.000 2.456 813 L HA 0.341 4.710 4.340 0.049 0.000 0.257 813 L C 1.135 178.027 176.870 0.036 0.000 1.162 813 L CA -0.907 53.938 54.840 0.009 0.000 0.808 813 L CB 0.117 42.004 42.059 -0.287 0.000 1.136 813 L HN 0.340 nan 8.230 nan 0.000 0.466 814 H N 0.638 119.651 119.070 -0.096 0.000 3.092 814 H HA -0.128 4.457 4.556 0.049 0.000 0.332 814 H C 0.976 176.280 175.328 -0.039 0.000 1.029 814 H CA 1.091 57.102 56.048 -0.061 0.000 1.376 814 H CB 1.139 30.856 29.762 -0.075 0.000 1.329 814 H HN 0.697 nan 8.280 nan 0.000 0.598 815 T N 3.598 118.275 114.554 0.204 0.000 2.833 815 T HA -0.116 4.263 4.350 0.049 0.000 0.269 815 T C 1.888 176.730 174.700 0.236 0.000 1.054 815 T CA 1.717 63.946 62.100 0.216 0.000 1.135 815 T CB 0.104 69.003 68.868 0.051 0.000 0.869 815 T HN 0.599 nan 8.240 nan 0.000 0.466 816 K N 0.285 120.851 120.400 0.275 0.000 2.026 816 K HA 0.023 4.373 4.320 0.049 0.000 0.208 816 K C 2.265 178.878 176.600 0.021 0.000 1.048 816 K CA 1.317 57.648 56.287 0.074 0.000 0.929 816 K CB -0.377 32.078 32.500 -0.075 0.000 0.713 816 K HN 0.315 nan 8.250 nan 0.000 0.439 817 L N -0.019 121.170 121.223 -0.056 0.000 2.021 817 L HA -0.273 4.096 4.340 0.049 0.000 0.215 817 L C 2.345 179.164 176.870 -0.086 0.000 1.074 817 L CA 1.694 56.453 54.840 -0.135 0.000 0.760 817 L CB -0.630 41.269 42.059 -0.267 0.000 0.889 817 L HN 0.253 nan 8.230 nan 0.000 0.433 818 Y N -1.019 119.317 120.300 0.060 0.000 2.293 818 Y HA -0.235 4.344 4.550 0.048 0.000 0.291 818 Y C 2.767 178.704 175.900 0.062 0.000 1.137 818 Y CA 0.799 58.937 58.100 0.063 0.000 1.202 818 Y CB -0.161 38.335 38.460 0.060 0.000 0.990 818 Y HN 0.209 nan 8.280 nan 0.000 0.537 819 Q N 0.262 120.183 119.800 0.203 0.000 2.291 819 Q HA -0.204 4.166 4.340 0.049 0.000 0.206 819 Q C 1.295 177.356 176.000 0.103 0.000 0.976 819 Q CA 1.188 57.072 55.803 0.136 0.000 0.875 819 Q CB 0.064 28.861 28.738 0.099 0.000 0.927 819 Q HN 0.517 nan 8.270 nan 0.000 0.450 820 E N -0.880 119.374 120.200 0.090 0.000 2.479 820 E HA 0.027 4.406 4.350 0.049 0.000 0.193 820 E C -0.704 175.957 176.600 0.101 0.000 1.049 820 E CA -0.222 56.223 56.400 0.075 0.000 0.870 820 E CB 0.820 30.548 29.700 0.047 0.000 0.944 820 E HN 0.010 nan 8.360 nan 0.000 0.492 821 V N 2.135 122.129 119.914 0.133 0.000 2.455 821 V HA 0.056 4.206 4.120 0.049 0.000 0.273 821 V C 0.231 176.424 176.094 0.166 0.000 1.045 821 V CA -0.239 62.156 62.300 0.158 0.000 0.976 821 V CB 1.052 32.989 31.823 0.190 0.000 0.993 821 V HN 0.125 nan 8.190 nan 0.000 0.475 822 E N 5.106 125.422 120.200 0.193 0.000 2.290 822 E HA 0.422 4.801 4.350 0.049 0.000 0.277 822 E C -0.924 175.852 176.600 0.294 0.000 1.035 822 E CA -0.279 56.249 56.400 0.213 0.000 0.873 822 E CB 0.620 30.468 29.700 0.247 0.000 1.029 822 E HN 0.638 nan 8.360 nan 0.000 0.419 823 I N 4.090 124.786 120.570 0.209 0.000 2.418 823 I HA 0.666 4.865 4.170 0.049 0.000 0.287 823 I C -0.209 176.014 176.117 0.177 0.000 1.008 823 I CA -0.496 60.941 61.300 0.228 0.000 1.104 823 I CB 1.597 39.697 38.000 0.167 0.000 1.264 823 I HN 0.609 nan 8.210 nan 0.000 0.438 824 A N 3.909 126.886 122.820 0.262 0.000 2.493 824 A HA 0.756 5.105 4.320 0.049 0.000 0.300 824 A C -0.550 177.179 177.584 0.242 0.000 1.152 824 A CA -0.560 51.561 52.037 0.140 0.000 0.643 824 A CB 1.135 20.062 19.000 -0.121 0.000 1.316 824 A HN 0.645 nan 8.150 nan 0.000 0.469 825 S N -0.405 115.382 115.700 0.144 0.000 2.624 825 S HA 0.387 4.886 4.470 0.049 0.000 0.263 825 S C 1.411 176.182 174.600 0.285 0.000 1.287 825 S CA 0.009 58.316 58.200 0.179 0.000 0.990 825 S CB 0.802 64.046 63.200 0.075 0.000 0.950 825 S HN 2.087 nan 8.310 nan 0.000 0.561 826 V N -1.424 118.675 119.914 0.308 0.000 2.490 826 V HA -0.160 3.990 4.120 0.049 0.000 0.250 826 V C 1.512 177.730 176.094 0.207 0.000 1.061 826 V CA 2.161 64.649 62.300 0.314 0.000 1.064 826 V CB -1.491 30.482 31.823 0.249 0.000 0.670 826 V HN 0.781 nan 8.190 nan 0.000 0.461 827 D N 1.999 122.471 120.400 0.119 0.000 2.133 827 D HA -0.132 4.537 4.640 0.049 0.000 0.195 827 D C 2.202 178.509 176.300 0.013 0.000 0.997 827 D CA 2.173 56.205 54.000 0.054 0.000 0.840 827 D CB -0.455 40.361 40.800 0.028 0.000 0.947 827 D HN 0.635 nan 8.370 nan 0.000 0.452 828 A N -0.714 122.076 122.820 -0.049 0.000 2.119 828 A HA -0.038 4.311 4.320 0.049 0.000 0.217 828 A C 1.268 178.673 177.584 -0.299 0.000 1.153 828 A CA 0.655 52.568 52.037 -0.208 0.000 0.692 828 A CB -0.477 18.324 19.000 -0.333 0.000 0.799 828 A HN 0.190 nan 8.150 nan 0.000 0.458 829 F N 0.197 120.162 119.950 0.025 0.000 2.695 829 F HA 0.171 4.728 4.527 0.051 0.000 0.303 829 F C 0.862 176.662 175.800 0.000 0.000 1.091 829 F CA -0.337 57.672 58.000 0.016 0.000 1.300 829 F CB -0.060 38.953 39.000 0.021 0.000 1.071 829 F HN 0.198 nan 8.300 nan 0.000 0.578 830 Q N 0.478 120.354 119.800 0.128 0.000 2.269 830 Q HA 0.211 4.580 4.340 0.049 0.000 0.300 830 Q C 1.384 177.413 176.000 0.048 0.000 1.070 830 Q CA 0.996 56.839 55.803 0.067 0.000 0.957 830 Q CB 0.116 28.870 28.738 0.027 0.000 1.131 830 Q HN 0.555 nan 8.270 nan 0.000 0.377 831 G N 2.661 111.480 108.800 0.032 0.000 2.168 831 G HA2 -0.319 3.670 3.960 0.049 0.000 0.257 831 G HA3 -0.319 3.670 3.960 0.049 0.000 0.257 831 G C -0.028 174.890 174.900 0.031 0.000 0.997 831 G CA 0.385 45.493 45.100 0.014 0.000 0.708 831 G HN 0.546 nan 8.290 nan 0.000 0.520 832 R N -0.173 120.369 120.500 0.070 0.000 2.888 832 R HA 0.697 5.067 4.340 0.049 0.000 0.266 832 R C -0.262 176.094 176.300 0.093 0.000 1.020 832 R CA -0.542 55.616 56.100 0.097 0.000 0.963 832 R CB 1.516 31.912 30.300 0.160 0.000 1.197 832 R HN 0.540 nan 8.270 nan 0.000 0.481 833 E N 0.988 121.234 120.200 0.076 0.000 2.413 833 E HA 0.519 4.898 4.350 0.049 0.000 0.277 833 E C -1.212 175.400 176.600 0.020 0.000 0.958 833 E CA -1.209 55.200 56.400 0.016 0.000 0.779 833 E CB 2.281 31.963 29.700 -0.029 0.000 1.278 833 E HN 0.099 nan 8.360 nan 0.000 0.456 834 K N 0.835 121.212 120.400 -0.039 0.000 2.466 834 K HA 0.255 4.605 4.320 0.049 0.000 0.260 834 K C -0.340 176.194 176.600 -0.109 0.000 1.011 834 K CA -0.776 55.492 56.287 -0.032 0.000 0.871 834 K CB 1.566 34.051 32.500 -0.025 0.000 1.404 834 K HN 0.476 nan 8.250 nan 0.000 0.450 835 D N 0.124 120.450 120.400 -0.123 0.000 2.123 835 D HA 0.049 4.719 4.640 0.049 0.000 0.200 835 D C -0.097 175.745 176.300 -0.763 0.000 0.976 835 D CA 1.440 55.218 54.000 -0.370 0.000 0.831 835 D CB 0.120 40.674 40.800 -0.411 0.000 0.974 835 D HN 0.241 nan 8.370 nan 0.000 0.469 836 F N -0.019 119.925 119.950 -0.010 0.000 2.569 836 F HA 0.395 4.951 4.527 0.048 0.000 0.312 836 F C -0.242 175.519 175.800 -0.064 0.000 1.109 836 F CA -1.086 56.896 58.000 -0.029 0.000 0.919 836 F CB 2.056 41.034 39.000 -0.037 0.000 1.211 836 F HN -0.343 nan 8.300 nan 0.000 0.446 837 I N 4.338 124.956 120.570 0.079 0.000 2.433 837 I HA 0.448 4.647 4.170 0.049 0.000 0.292 837 I C -0.313 175.793 176.117 -0.018 0.000 1.001 837 I CA -0.958 60.314 61.300 -0.046 0.000 1.119 837 I CB 1.859 39.765 38.000 -0.157 0.000 1.289 837 I HN 0.504 nan 8.210 nan 0.000 0.438 838 I N 6.237 126.791 120.570 -0.026 0.000 2.378 838 I HA 0.328 4.527 4.170 0.049 0.000 0.291 838 I C -0.656 175.441 176.117 -0.034 0.000 0.992 838 I CA -0.895 60.390 61.300 -0.025 0.000 1.154 838 I CB 1.839 39.846 38.000 0.012 0.000 1.315 838 I HN 0.196 nan 8.210 nan 0.000 0.448 839 L N 5.072 126.259 121.223 -0.059 0.000 2.295 839 L HA 0.378 4.747 4.340 0.049 0.000 0.285 839 L C 0.203 177.097 176.870 0.041 0.000 1.035 839 L CA 0.178 55.003 54.840 -0.024 0.000 0.806 839 L CB 1.661 43.637 42.059 -0.140 0.000 1.214 839 L HN 0.510 nan 8.230 nan 0.000 0.426 840 S N 1.986 117.791 115.700 0.175 0.000 2.566 840 S HA 0.259 4.758 4.470 0.049 0.000 0.324 840 S C 0.736 175.486 174.600 0.250 0.000 1.081 840 S CA -0.672 57.610 58.200 0.137 0.000 1.105 840 S CB 0.495 63.761 63.200 0.109 0.000 0.981 840 S HN 0.773 nan 8.310 nan 0.000 0.464 841 C N 3.530 122.924 119.300 0.156 0.000 2.495 841 C HA 0.131 4.620 4.460 0.049 0.000 0.275 841 C C 2.063 177.059 174.990 0.010 0.000 1.392 841 C CA 0.428 59.527 59.018 0.135 0.000 1.766 841 C CB -1.358 26.372 27.740 -0.015 0.000 1.933 841 C HN 0.917 nan 8.230 nan 0.000 0.519 842 V N -1.106 118.794 119.914 -0.024 0.000 0.449 842 V HA -0.260 3.889 4.120 0.049 0.000 0.092 842 V C 0.574 176.531 176.094 -0.228 0.000 2.531 842 V CA 2.018 64.267 62.300 -0.086 0.000 3.708 842 V CB -1.170 30.658 31.823 0.007 0.000 0.981 842 V HN 0.521 nan 8.190 nan 0.000 1.031 843 R N 0.419 120.732 120.500 -0.312 0.000 2.347 843 R HA 0.694 5.063 4.340 0.049 0.000 0.304 843 R C 0.744 176.801 176.300 -0.405 0.000 1.072 843 R CA 0.466 56.255 56.100 -0.518 0.000 0.980 843 R CB 0.762 30.490 30.300 -0.953 0.000 0.986 843 R HN 0.680 nan 8.270 nan 0.000 0.448 844 A N 3.047 125.674 122.820 -0.322 0.000 2.358 844 A HA 0.159 4.508 4.320 0.049 0.000 0.223 844 A C 0.369 177.862 177.584 -0.151 0.000 1.218 844 A CA -0.009 51.911 52.037 -0.194 0.000 0.942 844 A CB 0.302 19.215 19.000 -0.145 0.000 1.005 844 A HN 0.508 nan 8.150 nan 0.000 0.514 845 N N 0.328 118.917 118.700 -0.184 0.000 2.485 845 N HA 0.240 5.009 4.740 0.049 0.000 0.280 845 N C -0.431 175.072 175.510 -0.012 0.000 1.205 845 N CA -0.461 52.531 53.050 -0.096 0.000 0.959 845 N CB 0.753 39.177 38.487 -0.104 0.000 1.206 845 N HN 0.430 nan 8.380 nan 0.000 0.545 846 E N 0.843 121.066 120.200 0.039 0.000 2.442 846 E HA -0.053 4.326 4.350 0.049 0.000 0.262 846 E C -0.723 175.956 176.600 0.133 0.000 1.004 846 E CA 0.329 56.788 56.400 0.098 0.000 0.928 846 E CB 0.181 29.903 29.700 0.036 0.000 0.937 846 E HN 0.566 nan 8.360 nan 0.000 0.446 847 H N 2.175 121.206 119.070 -0.064 0.000 3.121 847 H HA 0.021 4.606 4.556 0.049 0.000 0.337 847 H C -0.371 174.940 175.328 -0.027 0.000 1.198 847 H CA -0.760 55.246 56.048 -0.070 0.000 1.274 847 H CB 0.804 30.488 29.762 -0.130 0.000 1.954 847 H HN 0.673 nan 8.280 nan 0.000 0.531 848 Q N 2.079 121.805 119.800 -0.123 0.000 2.046 848 Q HA 0.160 4.529 4.340 0.049 0.000 0.200 848 Q C 0.518 176.430 176.000 -0.147 0.000 0.975 848 Q CA 1.682 57.401 55.803 -0.140 0.000 0.836 848 Q CB -0.218 28.508 28.738 -0.020 0.000 0.896 848 Q HN 1.088 nan 8.270 nan 0.000 0.428 849 G N 0.723 109.574 108.800 0.085 0.000 2.733 849 G HA2 -0.215 3.774 3.960 0.049 0.000 0.686 849 G HA3 -0.215 3.774 3.960 0.049 0.000 0.686 849 G C -0.289 174.691 174.900 0.134 0.000 1.373 849 G CA -0.100 45.165 45.100 0.275 0.000 0.838 849 G HN 0.636 nan 8.290 nan 0.000 0.588 850 I N -0.508 120.114 120.570 0.087 0.000 3.449 850 I HA 0.951 5.150 4.170 0.049 0.000 0.294 850 I C 1.367 177.383 176.117 -0.169 0.000 1.163 850 I CA -0.080 61.194 61.300 -0.043 0.000 1.010 850 I CB 1.564 39.528 38.000 -0.058 0.000 1.307 850 I HN 2.657 nan 8.210 nan 0.000 0.518 851 G N 1.722 110.428 108.800 -0.156 0.000 2.574 851 G HA2 -0.367 3.623 3.960 0.049 0.000 0.282 851 G HA3 -0.367 3.623 3.960 0.049 0.000 0.282 851 G C 0.118 174.992 174.900 -0.044 0.000 1.257 851 G CA 0.802 45.796 45.100 -0.178 0.000 0.956 851 G HN 1.459 nan 8.290 nan 0.000 0.560 852 F N 0.258 120.256 119.950 0.081 0.000 2.722 852 F HA 0.387 4.943 4.527 0.048 0.000 0.298 852 F C 2.143 178.165 175.800 0.370 0.000 1.175 852 F CA 1.162 59.271 58.000 0.183 0.000 1.462 852 F CB -0.602 38.509 39.000 0.187 0.000 1.111 852 F HN 0.248 nan 8.300 nan 0.000 0.592 853 L N 1.185 122.568 121.223 0.266 0.000 2.156 853 L HA -0.098 4.272 4.340 0.049 0.000 0.208 853 L C 1.940 179.050 176.870 0.400 0.000 1.095 853 L CA 1.352 56.432 54.840 0.400 0.000 0.770 853 L CB -0.502 41.667 42.059 0.182 0.000 0.914 853 L HN 0.415 nan 8.230 nan 0.000 0.439 854 N N -3.041 115.805 118.700 0.242 0.000 2.143 854 N HA 0.001 4.770 4.740 0.049 0.000 0.222 854 N C -0.273 175.327 175.510 0.149 0.000 1.264 854 N CA -0.072 53.080 53.050 0.170 0.000 0.897 854 N CB 0.376 38.907 38.487 0.073 0.000 1.092 854 N HN 0.008 nan 8.380 nan 0.000 0.516 855 D N 1.348 121.848 120.400 0.167 0.000 2.381 855 D HA 0.389 5.058 4.640 0.049 0.000 0.235 855 D C -1.856 174.520 176.300 0.126 0.000 1.068 855 D CA -2.002 52.069 54.000 0.118 0.000 0.832 855 D CB 2.634 43.487 40.800 0.087 0.000 1.101 855 D HN -0.111 nan 8.370 nan 0.000 0.515 856 P HA -0.004 nan 4.420 nan 0.000 0.217 856 P C 1.207 178.473 177.300 -0.057 0.000 1.151 856 P CA 0.814 64.007 63.100 0.154 0.000 0.828 856 P CB 0.531 32.373 31.700 0.236 0.000 0.788 857 R N -0.421 120.023 120.500 -0.094 0.000 2.081 857 R HA -0.019 4.351 4.340 0.049 0.000 0.235 857 R C 2.452 178.647 176.300 -0.175 0.000 1.131 857 R CA 1.322 57.291 56.100 -0.219 0.000 0.960 857 R CB -0.395 29.837 30.300 -0.113 0.000 0.856 857 R HN 0.130 nan 8.270 nan 0.000 0.436 858 R N -0.107 120.373 120.500 -0.034 0.000 2.092 858 R HA -0.104 4.266 4.340 0.049 0.000 0.231 858 R C 2.108 178.438 176.300 0.050 0.000 1.119 858 R CA 1.005 57.135 56.100 0.050 0.000 0.970 858 R CB -0.453 29.938 30.300 0.152 0.000 0.864 858 R HN 0.124 nan 8.270 nan 0.000 0.440 859 L N 1.799 123.046 121.223 0.040 0.000 2.046 859 L HA -0.179 4.190 4.340 0.049 0.000 0.208 859 L C 1.899 178.668 176.870 -0.167 0.000 1.077 859 L CA 1.762 56.583 54.840 -0.032 0.000 0.747 859 L CB -0.886 41.161 42.059 -0.020 0.000 0.896 859 L HN 0.212 nan 8.230 nan 0.000 0.432 860 N N -0.825 117.626 118.700 -0.414 0.000 2.069 860 N HA -0.198 4.572 4.740 0.049 0.000 0.191 860 N C 1.741 177.088 175.510 -0.271 0.000 1.031 860 N CA 2.050 54.729 53.050 -0.618 0.000 0.852 860 N CB 0.027 37.707 38.487 -1.345 0.000 1.018 860 N HN 0.297 nan 8.380 nan 0.000 0.423 861 V N 1.713 121.505 119.914 -0.203 0.000 2.261 861 V HA -0.221 3.928 4.120 0.049 0.000 0.246 861 V C 2.685 178.730 176.094 -0.082 0.000 1.047 861 V CA 1.923 64.165 62.300 -0.098 0.000 1.015 861 V CB -1.225 30.573 31.823 -0.041 0.000 0.642 861 V HN 0.467 nan 8.190 nan 0.000 0.446 862 A N -0.168 122.596 122.820 -0.094 0.000 1.927 862 A HA -0.227 4.123 4.320 0.049 0.000 0.220 862 A C 2.080 179.565 177.584 -0.165 0.000 1.185 862 A CA 2.150 54.091 52.037 -0.161 0.000 0.639 862 A CB -0.647 18.163 19.000 -0.317 0.000 0.820 862 A HN 0.557 nan 8.150 nan 0.000 0.451 863 L N -0.288 120.864 121.223 -0.117 0.000 2.612 863 L HA 0.057 4.426 4.340 0.049 0.000 0.230 863 L C 1.047 177.900 176.870 -0.027 0.000 1.140 863 L CA 0.936 55.747 54.840 -0.049 0.000 0.896 863 L CB -0.037 42.049 42.059 0.044 0.000 1.065 863 L HN 0.583 nan 8.230 nan 0.000 0.447 864 T N -5.565 108.955 114.554 -0.057 0.000 3.516 864 T HA 0.238 4.617 4.350 0.049 0.000 0.300 864 T C 1.178 175.837 174.700 -0.069 0.000 0.995 864 T CA -0.607 61.465 62.100 -0.047 0.000 0.982 864 T CB 0.195 69.048 68.868 -0.024 0.000 1.199 864 T HN -0.006 nan 8.240 nan 0.000 0.481 865 R N 1.090 121.532 120.500 -0.097 0.000 2.225 865 R HA 0.516 4.885 4.340 0.049 0.000 0.194 865 R C 1.070 177.291 176.300 -0.131 0.000 0.957 865 R CA 0.344 56.377 56.100 -0.112 0.000 1.042 865 R CB -0.235 29.955 30.300 -0.184 0.000 1.004 865 R HN 0.524 nan 8.270 nan 0.000 0.509 866 A N 1.273 124.009 122.820 -0.140 0.000 2.354 866 A HA 0.379 4.728 4.320 0.049 0.000 0.269 866 A C 0.883 178.342 177.584 -0.208 0.000 1.109 866 A CA -0.344 51.594 52.037 -0.166 0.000 0.800 866 A CB 0.897 19.816 19.000 -0.134 0.000 1.045 866 A HN 0.114 nan 8.150 nan 0.000 0.489 867 R N 0.561 120.876 120.500 -0.309 0.000 2.064 867 R HA 0.043 4.412 4.340 0.049 0.000 0.221 867 R C 0.733 176.704 176.300 -0.549 0.000 1.136 867 R CA 1.555 57.364 56.100 -0.485 0.000 0.980 867 R CB -0.110 29.747 30.300 -0.738 0.000 0.876 867 R HN 0.878 nan 8.270 nan 0.000 0.437 868 Y N -0.965 119.092 120.300 -0.404 0.000 2.507 868 Y HA 0.353 4.932 4.550 0.048 0.000 0.263 868 Y C 0.829 176.582 175.900 -0.243 0.000 1.093 868 Y CA 0.084 57.951 58.100 -0.388 0.000 1.285 868 Y CB 1.593 39.614 38.460 -0.732 0.000 1.115 868 Y HN 0.126 nan 8.280 nan 0.000 0.533 869 G N -0.211 108.540 108.800 -0.081 0.000 2.411 869 G HA2 0.421 4.410 3.960 0.049 0.000 0.295 869 G HA3 0.421 4.410 3.960 0.049 0.000 0.295 869 G C -2.293 172.678 174.900 0.119 0.000 1.542 869 G CA -0.389 44.741 45.100 0.050 0.000 0.814 869 G HN 0.071 nan 8.290 nan 0.000 0.557 870 V N 0.466 120.389 119.914 0.013 0.000 2.808 870 V HA 0.874 5.023 4.120 0.049 0.000 0.308 870 V C -1.308 174.775 176.094 -0.017 0.000 1.099 870 V CA -0.972 61.342 62.300 0.023 0.000 0.920 870 V CB 1.602 33.422 31.823 -0.006 0.000 1.014 870 V HN 0.810 nan 8.190 nan 0.000 0.425 871 I N 6.617 127.144 120.570 -0.072 0.000 2.447 871 I HA 0.517 4.716 4.170 0.049 0.000 0.287 871 I C -0.618 175.400 176.117 -0.165 0.000 1.023 871 I CA -0.510 60.643 61.300 -0.244 0.000 1.083 871 I CB 2.013 39.787 38.000 -0.377 0.000 1.245 871 I HN 0.537 nan 8.210 nan 0.000 0.434 872 I N 6.647 127.112 120.570 -0.175 0.000 2.359 872 I HA 0.408 4.607 4.170 0.049 0.000 0.294 872 I C -0.520 175.278 176.117 -0.532 0.000 0.987 872 I CA -0.852 60.270 61.300 -0.297 0.000 1.225 872 I CB 1.770 39.609 38.000 -0.268 0.000 1.366 872 I HN 0.158 nan 8.210 nan 0.000 0.466 873 V N 5.226 124.895 119.914 -0.407 0.000 2.409 873 V HA 0.923 5.072 4.120 0.049 0.000 0.291 873 V C 0.343 176.224 176.094 -0.355 0.000 1.020 873 V CA -0.232 61.850 62.300 -0.364 0.000 0.848 873 V CB 1.139 32.846 31.823 -0.193 0.000 0.990 873 V HN 1.035 nan 8.190 nan 0.000 0.430 874 G N 3.289 111.894 108.800 -0.324 0.000 2.430 874 G HA2 0.237 4.226 3.960 0.049 0.000 0.300 874 G HA3 0.237 4.226 3.960 0.049 0.000 0.300 874 G C -1.743 173.269 174.900 0.187 0.000 1.330 874 G CA -0.670 44.391 45.100 -0.065 0.000 0.813 874 G HN 0.484 nan 8.290 nan 0.000 0.487 875 N N 0.631 119.391 118.700 0.100 0.000 2.437 875 N HA 0.397 5.166 4.740 0.049 0.000 0.259 875 N C -1.728 173.797 175.510 0.026 0.000 0.983 875 N CA -1.714 51.385 53.050 0.080 0.000 0.937 875 N CB 2.531 41.008 38.487 -0.017 0.000 1.122 875 N HN -0.035 nan 8.380 nan 0.000 0.499 876 P HA -0.094 nan 4.420 nan 0.000 0.216 876 P C 1.005 178.168 177.300 -0.229 0.000 1.153 876 P CA 1.399 64.322 63.100 -0.293 0.000 0.848 876 P CB 0.440 31.953 31.700 -0.311 0.000 0.787 877 K N -0.437 119.938 120.400 -0.042 0.000 2.103 877 K HA -0.118 4.231 4.320 0.049 0.000 0.207 877 K C 2.090 178.683 176.600 -0.011 0.000 1.048 877 K CA 1.715 58.013 56.287 0.019 0.000 0.930 877 K CB -0.736 31.800 32.500 0.060 0.000 0.716 877 K HN 0.083 nan 8.250 nan 0.000 0.444 878 A N 1.459 124.259 122.820 -0.034 0.000 1.872 878 A HA -0.071 4.278 4.320 0.049 0.000 0.214 878 A C 2.177 179.774 177.584 0.022 0.000 1.187 878 A CA 1.015 53.047 52.037 -0.008 0.000 0.614 878 A CB -0.522 18.424 19.000 -0.090 0.000 0.826 878 A HN 0.133 nan 8.150 nan 0.000 0.442 879 L N 0.648 121.808 121.223 -0.105 0.000 2.156 879 L HA -0.134 4.235 4.340 0.049 0.000 0.208 879 L C 2.828 179.650 176.870 -0.078 0.000 1.095 879 L CA 1.362 56.077 54.840 -0.210 0.000 0.770 879 L CB -0.419 41.345 42.059 -0.493 0.000 0.914 879 L HN 0.568 nan 8.230 nan 0.000 0.439 880 S N -0.880 114.752 115.700 -0.113 0.000 2.469 880 S HA -0.115 4.385 4.470 0.049 0.000 0.238 880 S C 1.842 176.474 174.600 0.053 0.000 0.998 880 S CA 0.459 58.620 58.200 -0.066 0.000 0.957 880 S CB -0.244 62.857 63.200 -0.165 0.000 0.764 880 S HN 0.296 nan 8.310 nan 0.000 0.514 881 K N 1.124 121.548 120.400 0.041 0.000 2.103 881 K HA 0.059 4.408 4.320 0.049 0.000 0.207 881 K C 0.877 177.514 176.600 0.061 0.000 1.048 881 K CA 0.793 57.106 56.287 0.043 0.000 0.930 881 K CB -0.422 32.080 32.500 0.004 0.000 0.716 881 K HN 0.478 nan 8.250 nan 0.000 0.444 882 Q N 1.434 121.290 119.800 0.092 0.000 2.296 882 Q HA 0.053 4.422 4.340 0.049 0.000 0.263 882 Q C -1.667 174.456 176.000 0.205 0.000 1.026 882 Q CA -1.521 54.377 55.803 0.159 0.000 0.912 882 Q CB 1.186 30.091 28.738 0.278 0.000 1.198 882 Q HN 0.004 nan 8.270 nan 0.000 0.407 883 P HA -0.173 nan 4.420 nan 0.000 0.219 883 P C 1.274 178.691 177.300 0.196 0.000 1.146 883 P CA 0.705 63.916 63.100 0.185 0.000 0.808 883 P CB 0.327 32.103 31.700 0.127 0.000 0.779 884 L N -1.437 119.840 121.223 0.090 0.000 2.056 884 L HA -0.007 4.363 4.340 0.049 0.000 0.207 884 L C 2.360 179.259 176.870 0.049 0.000 1.078 884 L CA 1.744 56.570 54.840 -0.022 0.000 0.749 884 L CB -1.318 40.705 42.059 -0.060 0.000 0.901 884 L HN -0.141 nan 8.230 nan 0.000 0.433 885 W N -0.033 121.326 121.300 0.098 0.000 2.402 885 W HA -0.122 4.567 4.660 0.048 0.000 0.286 885 W C 2.635 179.135 176.519 -0.032 0.000 1.221 885 W CA 1.430 58.792 57.345 0.029 0.000 1.257 885 W CB -0.467 29.005 29.460 0.019 0.000 1.120 885 W HN 0.289 nan 8.180 nan 0.000 0.551 886 N N -0.554 118.304 118.700 0.263 0.000 2.069 886 N HA -0.235 4.535 4.740 0.049 0.000 0.191 886 N C 1.424 177.060 175.510 0.210 0.000 1.031 886 N CA 1.757 54.919 53.050 0.186 0.000 0.852 886 N CB -0.241 38.383 38.487 0.228 0.000 1.018 886 N HN 0.199 nan 8.380 nan 0.000 0.423 887 H N 0.593 119.735 119.070 0.121 0.000 2.290 887 H HA -0.122 4.463 4.556 0.049 0.000 0.298 887 H C 1.885 177.266 175.328 0.089 0.000 1.087 887 H CA 1.157 57.307 56.048 0.172 0.000 1.291 887 H CB -0.625 29.285 29.762 0.247 0.000 1.369 887 H HN 0.173 nan 8.280 nan 0.000 0.492 888 L N 0.442 121.661 121.223 -0.006 0.000 1.990 888 L HA -0.181 4.188 4.340 0.049 0.000 0.213 888 L C 2.045 178.766 176.870 -0.248 0.000 1.072 888 L CA 1.604 56.086 54.840 -0.596 0.000 0.755 888 L CB -0.946 40.706 42.059 -0.679 0.000 0.889 888 L HN 0.281 nan 8.230 nan 0.000 0.432 889 L N -0.667 120.468 121.223 -0.147 0.000 2.056 889 L HA -0.192 4.178 4.340 0.049 0.000 0.207 889 L C 2.372 179.332 176.870 0.150 0.000 1.078 889 L CA 1.208 55.957 54.840 -0.151 0.000 0.749 889 L CB -0.776 40.986 42.059 -0.495 0.000 0.901 889 L HN 0.376 nan 8.230 nan 0.000 0.433 890 N N -0.660 118.172 118.700 0.219 0.000 2.223 890 N HA -0.244 4.525 4.740 0.049 0.000 0.185 890 N C 1.806 177.437 175.510 0.203 0.000 1.016 890 N CA 1.433 54.617 53.050 0.223 0.000 0.863 890 N CB -0.187 38.393 38.487 0.155 0.000 0.983 890 N HN 0.339 nan 8.380 nan 0.000 0.429 891 Y N 0.745 121.110 120.300 0.108 0.000 2.153 891 Y HA -0.181 4.398 4.550 0.049 0.000 0.289 891 Y C 1.973 177.981 175.900 0.180 0.000 1.127 891 Y CA 1.348 59.531 58.100 0.138 0.000 1.131 891 Y CB -0.623 37.924 38.460 0.145 0.000 0.995 891 Y HN -0.063 nan 8.280 nan 0.000 0.505 892 Y N 0.957 121.238 120.300 -0.031 0.000 2.207 892 Y HA -0.225 4.354 4.550 0.048 0.000 0.287 892 Y C 2.604 178.478 175.900 -0.044 0.000 1.156 892 Y CA 1.796 59.866 58.100 -0.050 0.000 1.182 892 Y CB -0.678 37.825 38.460 0.073 0.000 0.979 892 Y HN 0.169 nan 8.280 nan 0.000 0.521 893 K N 0.417 120.911 120.400 0.156 0.000 2.025 893 K HA -0.179 4.170 4.320 0.049 0.000 0.207 893 K C 1.926 178.528 176.600 0.003 0.000 1.049 893 K CA 1.600 57.943 56.287 0.094 0.000 0.933 893 K CB -0.137 32.434 32.500 0.118 0.000 0.714 893 K HN 0.294 nan 8.250 nan 0.000 0.438 894 E N 0.116 120.298 120.200 -0.030 0.000 2.118 894 E HA -0.190 4.190 4.350 0.049 0.000 0.195 894 E C 1.810 178.324 176.600 -0.144 0.000 0.992 894 E CA 0.935 57.289 56.400 -0.076 0.000 0.804 894 E CB 0.124 29.789 29.700 -0.058 0.000 0.741 894 E HN 0.352 nan 8.360 nan 0.000 0.458 895 Q N 0.181 119.825 119.800 -0.260 0.000 2.482 895 Q HA -0.011 4.358 4.340 0.049 0.000 0.209 895 Q C 0.071 175.991 176.000 -0.133 0.000 0.961 895 Q CA 0.343 55.987 55.803 -0.266 0.000 0.945 895 Q CB 0.169 28.623 28.738 -0.473 0.000 1.012 895 Q HN 0.257 nan 8.270 nan 0.000 0.515 896 K N -0.940 119.418 120.400 -0.071 0.000 3.230 896 K HA -0.138 4.211 4.320 0.049 0.000 0.285 896 K C 0.241 176.849 176.600 0.014 0.000 1.196 896 K CA 0.540 56.816 56.287 -0.019 0.000 0.838 896 K CB -2.043 30.442 32.500 -0.024 0.000 1.262 896 K HN 0.042 nan 8.250 nan 0.000 0.492 897 V N 0.913 120.851 119.914 0.040 0.000 3.159 897 V HA 0.137 4.286 4.120 0.049 0.000 0.333 897 V C -0.544 175.735 176.094 0.307 0.000 1.424 897 V CA -0.335 62.039 62.300 0.123 0.000 1.125 897 V CB 0.585 32.418 31.823 0.016 0.000 1.075 897 V HN 0.294 nan 8.190 nan 0.000 0.482 898 L N 2.724 124.108 121.223 0.268 0.000 2.261 898 L HA 0.622 4.991 4.340 0.049 0.000 0.289 898 L C -0.235 176.767 176.870 0.220 0.000 1.059 898 L CA 0.183 55.218 54.840 0.325 0.000 0.816 898 L CB 1.055 43.255 42.059 0.236 0.000 1.191 898 L HN 0.134 nan 8.230 nan 0.000 0.431 899 V N 1.728 121.783 119.914 0.236 0.000 3.155 899 V HA 0.788 4.938 4.120 0.049 0.000 0.313 899 V C -0.445 175.633 176.094 -0.027 0.000 1.162 899 V CA -0.721 61.600 62.300 0.035 0.000 1.048 899 V CB 2.010 33.746 31.823 -0.143 0.000 1.092 899 V HN 0.789 nan 8.190 nan 0.000 0.447 900 E N -0.718 119.388 120.200 -0.156 0.000 2.458 900 E HA 0.636 5.015 4.350 0.049 0.000 0.278 900 E C -0.176 176.302 176.600 -0.203 0.000 1.004 900 E CA -0.277 56.042 56.400 -0.135 0.000 0.823 900 E CB 2.174 31.878 29.700 0.006 0.000 1.396 900 E HN 1.741 nan 8.360 nan 0.000 0.463 901 G N 1.158 109.919 108.800 -0.064 0.000 2.741 901 G HA2 -0.169 3.820 3.960 0.049 0.000 0.222 901 G HA3 -0.169 3.820 3.960 0.049 0.000 0.222 901 G C -2.631 172.264 174.900 -0.008 0.000 1.364 901 G CA -0.609 44.480 45.100 -0.018 0.000 0.866 901 G HN 0.396 nan 8.290 nan 0.000 0.555 902 P HA 0.303 nan 4.420 nan 0.000 0.271 902 P C 1.409 178.709 177.300 0.001 0.000 1.218 902 P CA -0.359 62.785 63.100 0.072 0.000 0.780 902 P CB 0.583 32.308 31.700 0.041 0.000 0.901 903 L N 1.581 122.852 121.223 0.080 0.000 2.081 903 L HA -0.257 4.112 4.340 0.049 0.000 0.212 903 L C 2.094 178.902 176.870 -0.102 0.000 1.080 903 L CA 1.770 56.615 54.840 0.009 0.000 0.754 903 L CB -0.941 41.190 42.059 0.119 0.000 0.893 903 L HN 0.369 nan 8.230 nan 0.000 0.433 904 N N -0.382 118.274 118.700 -0.073 0.000 2.223 904 N HA -0.163 4.606 4.740 0.049 0.000 0.185 904 N C 0.954 176.396 175.510 -0.113 0.000 1.016 904 N CA 1.049 54.037 53.050 -0.102 0.000 0.863 904 N CB -0.304 38.143 38.487 -0.066 0.000 0.983 904 N HN 0.238 nan 8.380 nan 0.000 0.429 905 N N 0.009 118.649 118.700 -0.099 0.000 2.622 905 N HA 0.200 4.969 4.740 0.049 0.000 0.304 905 N C -1.142 174.298 175.510 -0.116 0.000 1.844 905 N CA -0.168 52.825 53.050 -0.095 0.000 0.886 905 N CB -0.031 38.419 38.487 -0.062 0.000 1.366 905 N HN -0.020 nan 8.380 nan 0.000 0.491 906 L N 1.214 122.335 121.223 -0.170 0.000 2.499 906 L HA 0.220 4.590 4.340 0.049 0.000 0.281 906 L C 1.000 177.779 176.870 -0.151 0.000 1.234 906 L CA 0.259 54.970 54.840 -0.215 0.000 0.839 906 L CB 0.366 42.226 42.059 -0.332 0.000 1.104 906 L HN 0.356 nan 8.230 nan 0.000 0.500 907 R N 0.397 120.818 120.500 -0.131 0.000 2.764 907 R HA 0.475 4.844 4.340 0.049 0.000 0.270 907 R C -1.201 175.063 176.300 -0.060 0.000 1.014 907 R CA -1.025 55.026 56.100 -0.082 0.000 0.904 907 R CB 1.142 31.409 30.300 -0.055 0.000 1.236 907 R HN 0.424 nan 8.270 nan 0.000 0.466 908 E N 0.921 121.102 120.200 -0.032 0.000 2.442 908 E HA -0.015 4.364 4.350 0.049 0.000 0.262 908 E C -0.593 176.014 176.600 0.012 0.000 1.004 908 E CA 0.262 56.661 56.400 -0.002 0.000 0.928 908 E CB 0.872 30.573 29.700 0.001 0.000 0.937 908 E HN 0.428 nan 8.360 nan 0.000 0.446 909 S N 3.197 118.924 115.700 0.045 0.000 2.439 909 S HA 0.146 4.645 4.470 0.049 0.000 0.282 909 S C 0.818 175.443 174.600 0.041 0.000 1.170 909 S CA -0.683 57.553 58.200 0.060 0.000 1.054 909 S CB 0.195 63.464 63.200 0.115 0.000 0.956 909 S HN 0.461 nan 8.310 nan 0.000 0.490 910 L N 4.947 126.182 121.223 0.019 0.000 2.599 910 L HA 0.185 4.555 4.340 0.049 0.000 0.230 910 L C 1.436 178.293 176.870 -0.022 0.000 1.141 910 L CA -0.035 54.799 54.840 -0.010 0.000 0.877 910 L CB -0.590 41.462 42.059 -0.013 0.000 1.009 910 L HN 0.681 nan 8.230 nan 0.000 0.447 911 M N 1.265 120.877 119.600 0.019 0.000 2.252 911 M HA 0.043 4.552 4.480 0.049 0.000 0.321 911 M C -0.292 175.957 176.300 -0.085 0.000 1.070 911 M CA 0.953 56.273 55.300 0.033 0.000 1.143 911 M CB 0.611 33.291 32.600 0.133 0.000 1.498 911 M HN 0.156 nan 8.290 nan 0.000 0.445 912 Q N 2.905 122.642 119.800 -0.105 0.000 2.445 912 Q HA 0.841 5.210 4.340 0.049 0.000 0.281 912 Q C -1.507 174.374 176.000 -0.199 0.000 1.101 912 Q CA -0.864 54.723 55.803 -0.360 0.000 0.833 912 Q CB 2.133 30.753 28.738 -0.198 0.000 1.416 912 Q HN 0.743 nan 8.270 nan 0.000 0.451 913 F N 0.000 119.948 119.950 -0.004 0.000 2.286 913 F HA 0.000 4.556 4.527 0.049 0.000 0.279 913 F CA 0.000 58.001 58.000 0.001 0.000 1.383 913 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 913 F HN 0.000 nan 8.300 nan 0.000 0.574