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 3h2y_1_A DATA FIRST_RESID 56 DATA SEQUENCE DDDFLRILNG IGKSDALVVK IVDIFDFNGS WLPGLHRFVG NNKVLLVGNK DATA SEQUENCE ADLIPKSVKH DKVKHWXRYS AKQLGLKPED VFLISAAKGQ GIAELADAIE DATA SEQUENCE YYRGGKDVYV VGCTNVGKST FINRXIKEFS DETENVITTS HFPXXXXDLI DATA SEQUENCE DIPLDEESSL YDTPGIINHH QXAHYVGKQS LKLITPTKEI KPXVFQLNEE DATA SEQUENCE QTLFFSGLAR FDYVSGGRRA FTCHFSNRLT IHRTKLEKAD ELYKNHAGDL DATA SEQUENCE LSPPTPEELE NXPELVKYEF NIREPKTDVV FSGLGWVTVN EPGAKIVAHV DATA SEQUENCE PKGVSVSLRK SLI 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 56 D HA 0.000 nan 4.640 nan 0.000 0.175 56 D C 0.000 176.357 176.300 0.095 0.000 2.045 56 D CA 0.000 54.053 54.000 0.088 0.000 0.868 56 D CB 0.000 40.864 40.800 0.106 0.000 0.688 57 D N 2.188 122.634 120.400 0.077 0.000 2.182 57 D HA -0.156 4.468 4.640 -0.027 0.000 0.201 57 D C 1.012 177.370 176.300 0.098 0.000 0.986 57 D CA 0.965 55.004 54.000 0.065 0.000 0.847 57 D CB 0.553 41.385 40.800 0.053 0.000 0.942 57 D HN 0.487 nan 8.370 nan 0.000 0.467 58 D N -0.378 120.127 120.400 0.176 0.000 2.084 58 D HA -0.163 4.461 4.640 -0.027 0.000 0.194 58 D C 1.867 178.433 176.300 0.443 0.000 0.990 58 D CA 0.574 54.784 54.000 0.350 0.000 0.826 58 D CB -0.554 40.477 40.800 0.385 0.000 0.971 58 D HN 0.244 nan 8.370 nan 0.000 0.453 59 F N 1.500 121.531 119.950 0.134 0.000 2.234 59 F HA -0.017 4.498 4.527 -0.020 0.000 0.299 59 F C 2.190 177.924 175.800 -0.109 0.000 1.087 59 F CA 0.538 58.564 58.000 0.042 0.000 1.340 59 F CB -0.438 38.541 39.000 -0.035 0.000 1.031 59 F HN -0.134 nan 8.300 nan 0.000 0.500 60 L N -0.319 120.795 121.223 -0.181 0.000 2.056 60 L HA -0.199 4.124 4.340 -0.027 0.000 0.207 60 L C 2.751 179.428 176.870 -0.322 0.000 1.078 60 L CA 1.451 56.068 54.840 -0.372 0.000 0.749 60 L CB -0.535 41.431 42.059 -0.156 0.000 0.901 60 L HN 0.025 nan 8.230 nan 0.000 0.433 61 R N 0.753 121.151 120.500 -0.171 0.000 2.081 61 R HA -0.191 4.132 4.340 -0.027 0.000 0.235 61 R C 2.364 178.520 176.300 -0.240 0.000 1.131 61 R CA 1.910 57.908 56.100 -0.170 0.000 0.960 61 R CB -0.327 29.889 30.300 -0.139 0.000 0.856 61 R HN 0.512 nan 8.270 nan 0.000 0.436 62 I N -1.887 118.533 120.570 -0.251 0.000 2.353 62 I HA -0.161 3.993 4.170 -0.027 0.000 0.248 62 I C 1.865 177.765 176.117 -0.363 0.000 1.119 62 I CA 1.169 62.304 61.300 -0.275 0.000 1.417 62 I CB -0.355 37.578 38.000 -0.111 0.000 1.078 62 I HN 0.081 nan 8.210 nan 0.000 0.421 63 L N 1.402 122.305 121.223 -0.533 0.000 2.042 63 L HA -0.203 4.120 4.340 -0.027 0.000 0.210 63 L C 2.338 179.000 176.870 -0.346 0.000 1.076 63 L CA 2.164 56.614 54.840 -0.650 0.000 0.749 63 L CB -0.942 40.311 42.059 -1.342 0.000 0.893 63 L HN 0.363 nan 8.230 nan 0.000 0.432 64 N N -0.509 118.038 118.700 -0.254 0.000 2.188 64 N HA -0.130 4.594 4.740 -0.027 0.000 0.184 64 N C 1.875 177.319 175.510 -0.110 0.000 1.018 64 N CA 0.993 54.011 53.050 -0.053 0.000 0.858 64 N CB -0.226 38.250 38.487 -0.019 0.000 0.989 64 N HN 0.344 nan 8.380 nan 0.000 0.426 65 G N 1.025 109.712 108.800 -0.187 0.000 2.421 65 G HA2 -0.179 3.765 3.960 -0.027 0.000 0.216 65 G HA3 -0.179 3.765 3.960 -0.027 0.000 0.216 65 G C 1.442 176.199 174.900 -0.240 0.000 1.171 65 G CA 0.441 45.421 45.100 -0.200 0.000 0.775 65 G HN 0.194 nan 8.290 nan 0.000 0.543 66 I N 1.267 121.625 120.570 -0.352 0.000 2.286 66 I HA -0.087 4.066 4.170 -0.027 0.000 0.248 66 I C 3.032 179.042 176.117 -0.177 0.000 1.115 66 I CA 0.972 62.024 61.300 -0.415 0.000 1.392 66 I CB -0.358 37.334 38.000 -0.513 0.000 1.065 66 I HN 0.260 nan 8.210 nan 0.000 0.418 67 G N 0.830 109.562 108.800 -0.114 0.000 2.422 67 G HA2 -0.200 3.744 3.960 -0.027 0.000 0.218 67 G HA3 -0.200 3.744 3.960 -0.027 0.000 0.218 67 G C 1.706 176.585 174.900 -0.035 0.000 1.140 67 G CA 0.394 45.471 45.100 -0.039 0.000 0.775 67 G HN 0.339 nan 8.290 nan 0.000 0.545 68 K N 0.774 121.144 120.400 -0.049 0.000 2.288 68 K HA 0.049 4.352 4.320 -0.027 0.000 0.201 68 K C 1.599 178.185 176.600 -0.023 0.000 1.048 68 K CA 0.627 56.892 56.287 -0.037 0.000 0.956 68 K CB 0.059 32.532 32.500 -0.045 0.000 0.746 68 K HN 0.429 nan 8.250 nan 0.000 0.461 69 S N 1.523 117.210 115.700 -0.022 0.000 2.669 69 S HA 0.057 4.511 4.470 -0.027 0.000 0.270 69 S C 0.276 174.896 174.600 0.034 0.000 1.225 69 S CA -0.660 57.551 58.200 0.019 0.000 0.991 69 S CB 1.106 64.342 63.200 0.061 0.000 0.987 69 S HN 0.172 nan 8.310 nan 0.000 0.552 70 D N -0.154 120.277 120.400 0.051 0.000 2.395 70 D HA 0.363 4.986 4.640 -0.027 0.000 0.226 70 D C 0.573 176.918 176.300 0.075 0.000 1.146 70 D CA -0.336 53.693 54.000 0.049 0.000 0.830 70 D CB -0.577 40.244 40.800 0.035 0.000 0.958 70 D HN 0.685 nan 8.370 nan 0.000 0.501 71 A N 0.426 123.319 122.820 0.121 0.000 2.386 71 A HA 0.400 4.704 4.320 -0.027 0.000 0.248 71 A C -0.035 177.637 177.584 0.146 0.000 1.082 71 A CA -0.643 51.498 52.037 0.174 0.000 0.789 71 A CB 0.228 19.454 19.000 0.377 0.000 1.025 71 A HN 0.369 nan 8.150 nan 0.000 0.490 72 L N 2.477 123.777 121.223 0.128 0.000 2.380 72 L HA 0.457 4.781 4.340 -0.027 0.000 0.273 72 L C -0.303 176.654 176.870 0.145 0.000 1.138 72 L CA 0.425 55.333 54.840 0.114 0.000 0.832 72 L CB 1.078 43.196 42.059 0.098 0.000 1.124 72 L HN 0.379 nan 8.230 nan 0.000 0.454 73 V N 5.980 125.960 119.914 0.111 0.000 2.370 73 V HA 0.390 4.494 4.120 -0.027 0.000 0.283 73 V C -0.362 175.772 176.094 0.067 0.000 1.023 73 V CA -0.674 61.692 62.300 0.109 0.000 0.857 73 V CB 1.658 33.521 31.823 0.067 0.000 0.985 73 V HN 0.521 nan 8.190 nan 0.000 0.443 74 V N 5.592 125.549 119.914 0.071 0.000 2.347 74 V HA 0.400 4.504 4.120 -0.027 0.000 0.280 74 V C 0.096 176.168 176.094 -0.037 0.000 1.021 74 V CA -0.693 61.617 62.300 0.017 0.000 0.847 74 V CB 1.464 33.314 31.823 0.045 0.000 0.990 74 V HN 0.831 nan 8.190 nan 0.000 0.444 75 K N 6.074 126.424 120.400 -0.084 0.000 2.293 75 K HA 0.606 4.909 4.320 -0.027 0.000 0.267 75 K C -0.950 175.538 176.600 -0.187 0.000 1.010 75 K CA -0.540 55.659 56.287 -0.147 0.000 0.875 75 K CB 0.950 33.326 32.500 -0.206 0.000 1.106 75 K HN 0.622 nan 8.250 nan 0.000 0.450 76 I N 5.432 125.876 120.570 -0.211 0.000 2.353 76 I HA 0.257 4.410 4.170 -0.027 0.000 0.293 76 I C -0.027 175.980 176.117 -0.183 0.000 0.992 76 I CA -1.044 60.120 61.300 -0.225 0.000 1.268 76 I CB 1.484 39.323 38.000 -0.267 0.000 1.387 76 I HN 0.344 nan 8.210 nan 0.000 0.478 77 V N 1.293 121.118 119.914 -0.150 0.000 3.001 77 V HA 0.575 4.679 4.120 -0.027 0.000 0.314 77 V C -0.835 175.236 176.094 -0.038 0.000 1.099 77 V CA -0.809 61.407 62.300 -0.141 0.000 0.989 77 V CB 2.148 33.809 31.823 -0.270 0.000 1.040 77 V HN 0.657 nan 8.190 nan 0.000 0.434 78 D N 1.600 122.009 120.400 0.015 0.000 2.280 78 D HA 0.345 4.968 4.640 -0.027 0.000 0.243 78 D C 1.262 177.654 176.300 0.153 0.000 1.129 78 D CA -0.426 53.641 54.000 0.112 0.000 0.848 78 D CB 1.501 42.392 40.800 0.153 0.000 1.107 78 D HN 0.719 nan 8.370 nan 0.000 0.471 79 I N 0.286 120.913 120.570 0.096 0.000 2.614 79 I HA -0.088 4.065 4.170 -0.027 0.000 0.258 79 I C 0.815 176.857 176.117 -0.125 0.000 1.189 79 I CA 0.785 62.089 61.300 0.006 0.000 1.462 79 I CB -0.392 37.468 38.000 -0.232 0.000 1.092 79 I HN 0.104 nan 8.210 nan 0.000 0.442 80 F N 0.929 121.009 119.950 0.217 0.000 2.765 80 F HA 0.215 4.724 4.527 -0.029 0.000 0.302 80 F C 0.599 176.537 175.800 0.230 0.000 1.111 80 F CA 0.085 58.207 58.000 0.204 0.000 1.359 80 F CB 0.057 39.175 39.000 0.196 0.000 1.097 80 F HN 0.099 nan 8.300 nan 0.000 0.577 81 D N -1.153 119.462 120.400 0.359 0.000 3.100 81 D HA 0.038 4.661 4.640 -0.027 0.000 0.350 81 D C 0.932 177.397 176.300 0.276 0.000 1.310 81 D CA -0.265 53.917 54.000 0.303 0.000 0.741 81 D CB -0.493 40.456 40.800 0.248 0.000 1.248 81 D HN 0.060 nan 8.370 nan 0.000 0.527 82 F N 1.216 121.282 119.950 0.193 0.000 2.075 82 F HA -0.091 4.422 4.527 -0.023 0.000 0.297 82 F C 1.737 177.619 175.800 0.138 0.000 1.113 82 F CA 1.680 59.756 58.000 0.128 0.000 1.218 82 F CB 0.115 39.130 39.000 0.024 0.000 0.984 82 F HN 0.152 nan 8.300 nan 0.000 0.472 83 N N -0.076 118.839 118.700 0.358 0.000 2.250 83 N HA -0.084 4.640 4.740 -0.027 0.000 0.181 83 N C 2.065 177.692 175.510 0.195 0.000 1.017 83 N CA 1.024 54.212 53.050 0.231 0.000 0.866 83 N CB -0.631 37.966 38.487 0.183 0.000 0.985 83 N HN 0.437 nan 8.380 nan 0.000 0.429 84 G N 0.936 109.853 108.800 0.195 0.000 2.432 84 G HA2 -0.215 3.729 3.960 -0.027 0.000 0.219 84 G HA3 -0.215 3.729 3.960 -0.027 0.000 0.219 84 G C 1.576 176.546 174.900 0.118 0.000 1.135 84 G CA 1.164 46.365 45.100 0.168 0.000 0.767 84 G HN 0.455 nan 8.290 nan 0.000 0.550 85 S N -1.894 113.860 115.700 0.089 0.000 2.556 85 S HA 0.111 4.565 4.470 -0.027 0.000 0.216 85 S C 0.784 175.367 174.600 -0.030 0.000 0.970 85 S CA -0.742 57.467 58.200 0.014 0.000 0.912 85 S CB -0.143 63.053 63.200 -0.007 0.000 0.790 85 S HN 0.397 nan 8.310 nan 0.000 0.504 86 W N 2.332 123.517 121.300 -0.192 0.000 2.193 86 W HA 0.298 4.945 4.660 -0.021 0.000 0.338 86 W C -1.018 175.449 176.519 -0.087 0.000 1.310 86 W CA -0.213 57.004 57.345 -0.213 0.000 1.243 86 W CB 0.373 29.714 29.460 -0.198 0.000 1.165 86 W HN 0.175 nan 8.180 nan 0.000 0.566 87 L N 9.308 130.136 121.223 -0.659 0.000 2.314 87 L HA 0.208 4.532 4.340 -0.027 0.000 0.275 87 L C -1.650 175.081 176.870 -0.232 0.000 1.068 87 L CA -1.927 52.714 54.840 -0.332 0.000 0.894 87 L CB 0.494 42.380 42.059 -0.288 0.000 1.275 87 L HN 0.106 nan 8.230 nan 0.000 0.432 88 P HA 0.093 nan 4.420 nan 0.000 0.271 88 P C 0.910 178.358 177.300 0.247 0.000 1.218 88 P CA 0.539 63.831 63.100 0.320 0.000 0.780 88 P CB 1.395 33.273 31.700 0.298 0.000 0.901 89 G N 1.935 110.941 108.800 0.343 0.000 2.304 89 G HA2 -0.330 3.614 3.960 -0.027 0.000 0.252 89 G HA3 -0.330 3.614 3.960 -0.027 0.000 0.252 89 G C 0.899 175.847 174.900 0.080 0.000 1.014 89 G CA 0.249 45.446 45.100 0.162 0.000 0.619 89 G HN 0.580 nan 8.290 nan 0.000 0.525 90 L N 1.963 123.250 121.223 0.107 0.000 2.051 90 L HA -0.192 4.132 4.340 -0.027 0.000 0.214 90 L C 2.819 179.723 176.870 0.057 0.000 1.076 90 L CA 3.423 58.289 54.840 0.043 0.000 0.758 90 L CB -1.201 40.815 42.059 -0.072 0.000 0.890 90 L HN 0.764 nan 8.230 nan 0.000 0.433 91 H N 0.099 119.213 119.070 0.074 0.000 2.426 91 H HA -0.266 4.273 4.556 -0.028 0.000 0.298 91 H C 2.143 177.487 175.328 0.026 0.000 1.107 91 H CA 1.756 57.842 56.048 0.063 0.000 1.298 91 H CB -0.624 29.204 29.762 0.109 0.000 1.377 91 H HN 0.414 nan 8.280 nan 0.000 0.519 92 R N -0.145 119.957 120.500 -0.663 0.000 2.153 92 R HA -0.010 4.313 4.340 -0.027 0.000 0.218 92 R C 1.534 177.576 176.300 -0.429 0.000 1.072 92 R CA 0.703 56.488 56.100 -0.526 0.000 0.990 92 R CB -0.029 29.859 30.300 -0.687 0.000 0.889 92 R HN 0.221 nan 8.270 nan 0.000 0.452 93 F N -0.341 119.475 119.950 -0.222 0.000 2.473 93 F HA -0.013 4.502 4.527 -0.019 0.000 0.294 93 F C 1.618 177.334 175.800 -0.139 0.000 1.103 93 F CA 0.392 58.282 58.000 -0.182 0.000 1.442 93 F CB 0.546 39.410 39.000 -0.227 0.000 1.097 93 F HN -0.116 nan 8.300 nan 0.000 0.547 94 V N -2.696 117.247 119.914 0.049 0.000 3.043 94 V HA 0.512 4.615 4.120 -0.027 0.000 0.357 94 V C 1.573 177.675 176.094 0.014 0.000 1.372 94 V CA 0.366 62.678 62.300 0.020 0.000 1.214 94 V CB -0.397 31.435 31.823 0.014 0.000 1.224 94 V HN 0.189 nan 8.190 nan 0.000 0.507 95 G N 1.209 110.005 108.800 -0.006 0.000 2.422 95 G HA2 -0.253 3.691 3.960 -0.027 0.000 0.218 95 G HA3 -0.253 3.691 3.960 -0.027 0.000 0.218 95 G C 1.360 176.262 174.900 0.003 0.000 1.146 95 G CA 0.995 46.096 45.100 0.002 0.000 0.769 95 G HN 0.516 nan 8.290 nan 0.000 0.547 96 N N 0.822 119.519 118.700 -0.005 0.000 2.409 96 N HA -0.015 4.708 4.740 -0.027 0.000 0.179 96 N C 0.341 175.859 175.510 0.013 0.000 1.032 96 N CA 0.003 53.053 53.050 0.001 0.000 0.898 96 N CB -0.143 38.340 38.487 -0.007 0.000 0.971 96 N HN 0.309 nan 8.380 nan 0.000 0.441 97 N N 1.148 119.857 118.700 0.016 0.000 2.513 97 N HA 0.069 4.792 4.740 -0.027 0.000 0.274 97 N C -0.381 175.147 175.510 0.031 0.000 1.189 97 N CA -0.030 53.038 53.050 0.029 0.000 0.975 97 N CB 1.178 39.684 38.487 0.032 0.000 1.157 97 N HN 0.032 nan 8.380 nan 0.000 0.465 98 K N 0.967 121.391 120.400 0.039 0.000 2.298 98 K HA 0.324 4.628 4.320 -0.027 0.000 0.280 98 K C -0.635 175.977 176.600 0.020 0.000 1.032 98 K CA -0.314 55.989 56.287 0.027 0.000 0.958 98 K CB 1.013 33.541 32.500 0.047 0.000 0.978 98 K HN 0.212 nan 8.250 nan 0.000 0.472 99 V N 4.690 124.601 119.914 -0.005 0.000 2.540 99 V HA 0.351 4.454 4.120 -0.027 0.000 0.302 99 V C -0.383 175.703 176.094 -0.014 0.000 1.035 99 V CA -0.944 61.357 62.300 0.002 0.000 0.873 99 V CB 1.580 33.408 31.823 0.008 0.000 0.992 99 V HN 0.587 nan 8.190 nan 0.000 0.428 100 L N 5.018 126.253 121.223 0.020 0.000 2.296 100 L HA 0.546 4.869 4.340 -0.027 0.000 0.286 100 L C -0.684 176.238 176.870 0.085 0.000 1.023 100 L CA -0.673 54.222 54.840 0.092 0.000 0.812 100 L CB 1.639 43.771 42.059 0.122 0.000 1.223 100 L HN 0.445 nan 8.230 nan 0.000 0.421 101 L N 4.980 126.277 121.223 0.124 0.000 2.264 101 L HA 0.500 4.823 4.340 -0.027 0.000 0.289 101 L C -0.563 176.390 176.870 0.140 0.000 1.044 101 L CA -0.078 54.811 54.840 0.082 0.000 0.807 101 L CB 1.553 43.667 42.059 0.093 0.000 1.192 101 L HN 0.270 nan 8.230 nan 0.000 0.425 102 V N 4.882 124.819 119.914 0.038 0.000 2.378 102 V HA 0.625 4.728 4.120 -0.027 0.000 0.288 102 V C 0.554 176.639 176.094 -0.014 0.000 1.016 102 V CA -0.482 61.832 62.300 0.023 0.000 0.840 102 V CB 1.371 33.097 31.823 -0.162 0.000 0.994 102 V HN 0.898 nan 8.190 nan 0.000 0.431 103 G N 2.991 111.817 108.800 0.042 0.000 2.356 103 G HA2 0.413 4.356 3.960 -0.027 0.000 0.312 103 G HA3 0.413 4.356 3.960 -0.027 0.000 0.312 103 G C -0.404 174.510 174.900 0.022 0.000 1.096 103 G CA -0.315 44.810 45.100 0.041 0.000 0.950 103 G HN 0.590 nan 8.290 nan 0.000 0.428 104 N N 1.132 119.844 118.700 0.019 0.000 2.476 104 N HA 0.319 5.042 4.740 -0.027 0.000 0.275 104 N C 0.534 176.111 175.510 0.111 0.000 1.190 104 N CA -0.497 52.582 53.050 0.048 0.000 0.977 104 N CB 0.569 39.076 38.487 0.033 0.000 1.200 104 N HN 0.558 nan 8.380 nan 0.000 0.515 105 K N -0.584 119.903 120.400 0.145 0.000 3.299 105 K HA -0.162 4.142 4.320 -0.027 0.000 0.284 105 K C 0.411 177.178 176.600 0.278 0.000 1.235 105 K CA 0.592 57.019 56.287 0.234 0.000 0.833 105 K CB -2.048 30.657 32.500 0.341 0.000 1.330 105 K HN 0.507 nan 8.250 nan 0.000 0.510 106 A N 1.770 124.674 122.820 0.141 0.000 2.024 106 A HA -0.229 4.074 4.320 -0.027 0.000 0.220 106 A C 1.960 179.643 177.584 0.166 0.000 1.164 106 A CA 1.916 53.999 52.037 0.077 0.000 0.643 106 A CB -0.340 18.616 19.000 -0.074 0.000 0.806 106 A HN 0.637 nan 8.150 nan 0.000 0.451 107 D N 0.365 120.869 120.400 0.172 0.000 2.265 107 D HA -0.166 4.457 4.640 -0.027 0.000 0.208 107 D C 1.590 178.007 176.300 0.194 0.000 0.977 107 D CA 1.075 55.175 54.000 0.166 0.000 0.871 107 D CB -0.417 40.459 40.800 0.125 0.000 0.925 107 D HN 0.538 nan 8.370 nan 0.000 0.485 108 L N 0.281 121.664 121.223 0.267 0.000 2.446 108 L HA 0.173 4.496 4.340 -0.027 0.000 0.219 108 L C 1.230 178.346 176.870 0.411 0.000 1.116 108 L CA -0.132 54.844 54.840 0.226 0.000 0.844 108 L CB -0.095 41.953 42.059 -0.018 0.000 0.970 108 L HN -0.116 nan 8.230 nan 0.000 0.457 109 I N 1.787 122.675 120.570 0.529 0.000 2.668 109 I HA 0.011 4.165 4.170 -0.027 0.000 0.285 109 I C -1.870 174.450 176.117 0.338 0.000 1.168 109 I CA -1.630 59.956 61.300 0.475 0.000 1.424 109 I CB 0.044 38.234 38.000 0.316 0.000 1.377 109 I HN -0.196 nan 8.210 nan 0.000 0.560 110 P HA 0.029 nan 4.420 nan 0.000 0.267 110 P C 0.676 178.076 177.300 0.167 0.000 1.200 110 P CA 0.047 63.287 63.100 0.234 0.000 0.772 110 P CB 0.580 32.447 31.700 0.280 0.000 0.855 111 K N 1.516 121.983 120.400 0.113 0.000 2.103 111 K HA -0.198 4.106 4.320 -0.027 0.000 0.207 111 K C 2.033 178.654 176.600 0.034 0.000 1.048 111 K CA 2.506 58.828 56.287 0.060 0.000 0.930 111 K CB -1.912 30.613 32.500 0.042 0.000 0.716 111 K HN 0.669 nan 8.250 nan 0.000 0.444 112 S N -0.077 115.660 115.700 0.061 0.000 2.419 112 S HA -0.001 4.452 4.470 -0.027 0.000 0.233 112 S C 1.074 175.692 174.600 0.030 0.000 1.016 112 S CA 0.682 58.910 58.200 0.046 0.000 0.974 112 S CB -0.542 62.704 63.200 0.077 0.000 0.786 112 S HN 0.266 nan 8.310 nan 0.000 0.492 113 V N 3.519 123.463 119.914 0.051 0.000 2.508 113 V HA 0.245 4.349 4.120 -0.027 0.000 0.281 113 V C 0.164 176.252 176.094 -0.010 0.000 1.041 113 V CA -0.420 61.892 62.300 0.021 0.000 1.016 113 V CB 0.666 32.516 31.823 0.045 0.000 0.984 113 V HN 0.300 nan 8.190 nan 0.000 0.478 114 K N 4.094 124.475 120.400 -0.031 0.000 2.234 114 K HA 0.308 4.611 4.320 -0.027 0.000 0.282 114 K C 0.985 177.615 176.600 0.050 0.000 1.039 114 K CA -0.162 56.095 56.287 -0.049 0.000 0.928 114 K CB 0.650 33.121 32.500 -0.047 0.000 1.039 114 K HN 0.681 nan 8.250 nan 0.000 0.470 115 H N 0.662 119.730 119.070 -0.004 0.000 2.423 115 H HA -0.102 4.439 4.556 -0.026 0.000 0.297 115 H C 0.642 175.974 175.328 0.007 0.000 1.075 115 H CA 0.682 56.734 56.048 0.005 0.000 1.342 115 H CB 0.537 30.313 29.762 0.023 0.000 1.395 115 H HN 0.550 nan 8.280 nan 0.000 0.530 116 D N 0.963 121.429 120.400 0.111 0.000 2.117 116 D HA -0.117 4.507 4.640 -0.027 0.000 0.197 116 D C 1.870 178.208 176.300 0.063 0.000 0.987 116 D CA 1.120 55.157 54.000 0.062 0.000 0.829 116 D CB -0.028 40.784 40.800 0.020 0.000 0.961 116 D HN 0.387 nan 8.370 nan 0.000 0.460 117 K N 0.330 120.752 120.400 0.037 0.000 2.155 117 K HA -0.031 4.273 4.320 -0.027 0.000 0.203 117 K C 2.198 178.851 176.600 0.089 0.000 1.052 117 K CA 0.351 56.656 56.287 0.031 0.000 0.948 117 K CB 0.088 32.562 32.500 -0.043 0.000 0.728 117 K HN -0.004 nan 8.250 nan 0.000 0.448 118 V N 2.017 121.975 119.914 0.072 0.000 2.295 118 V HA -0.273 3.830 4.120 -0.027 0.000 0.246 118 V C 2.061 178.258 176.094 0.172 0.000 1.049 118 V CA 1.769 64.138 62.300 0.114 0.000 1.024 118 V CB -0.397 31.458 31.823 0.053 0.000 0.648 118 V HN 0.287 nan 8.190 nan 0.000 0.447 119 K N -0.653 119.808 120.400 0.103 0.000 2.057 119 K HA -0.237 4.066 4.320 -0.027 0.000 0.207 119 K C 2.209 178.838 176.600 0.048 0.000 1.049 119 K CA 1.915 58.232 56.287 0.049 0.000 0.931 119 K CB -0.382 32.127 32.500 0.015 0.000 0.714 119 K HN 0.613 nan 8.250 nan 0.000 0.440 120 H N -0.224 118.853 119.070 0.011 0.000 2.319 120 H HA -0.163 4.377 4.556 -0.027 0.000 0.299 120 H C 0.710 176.057 175.328 0.031 0.000 1.092 120 H CA 1.649 57.701 56.048 0.007 0.000 1.302 120 H CB -0.101 29.659 29.762 -0.004 0.000 1.373 120 H HN 0.288 nan 8.280 nan 0.000 0.497 124 Y N 1.785 121.817 120.300 -0.446 0.000 2.145 124 Y HA -0.015 4.519 4.550 -0.027 0.000 0.286 124 Y C 1.935 177.582 175.900 -0.422 0.000 1.145 124 Y CA 2.571 60.422 58.100 -0.414 0.000 1.148 124 Y CB -0.095 38.105 38.460 -0.433 0.000 0.981 124 Y HN 0.081 nan 8.280 nan 0.000 0.507 125 S N 0.423 115.753 115.700 -0.616 0.000 2.368 125 S HA -0.176 4.277 4.470 -0.027 0.000 0.225 125 S C 2.264 176.482 174.600 -0.637 0.000 1.030 125 S CA 0.996 58.725 58.200 -0.785 0.000 0.999 125 S CB -0.807 61.575 63.200 -1.364 0.000 0.844 125 S HN 0.651 nan 8.310 nan 0.000 0.459 126 A N 1.829 124.395 122.820 -0.424 0.000 1.902 126 A HA -0.154 4.149 4.320 -0.027 0.000 0.217 126 A C 2.031 179.458 177.584 -0.262 0.000 1.181 126 A CA 1.802 53.689 52.037 -0.250 0.000 0.623 126 A CB -0.550 18.518 19.000 0.114 0.000 0.818 126 A HN 0.460 nan 8.150 nan 0.000 0.443 127 K N -0.809 119.416 120.400 -0.292 0.000 2.063 127 K HA -0.215 4.089 4.320 -0.027 0.000 0.208 127 K C 2.115 178.503 176.600 -0.353 0.000 1.048 127 K CA 1.577 57.697 56.287 -0.279 0.000 0.928 127 K CB -0.171 32.161 32.500 -0.280 0.000 0.713 127 K HN 0.429 nan 8.250 nan 0.000 0.442 128 Q N 0.254 119.749 119.800 -0.509 0.000 2.181 128 Q HA -0.128 4.196 4.340 -0.027 0.000 0.205 128 Q C 1.829 177.603 176.000 -0.376 0.000 0.980 128 Q CA 1.155 56.678 55.803 -0.468 0.000 0.862 128 Q CB 0.003 28.404 28.738 -0.561 0.000 0.905 128 Q HN 0.414 nan 8.270 nan 0.000 0.429 129 L N -1.119 119.846 121.223 -0.430 0.000 2.628 129 L HA 0.234 4.557 4.340 -0.027 0.000 0.229 129 L C 1.006 177.653 176.870 -0.371 0.000 1.137 129 L CA 0.361 54.962 54.840 -0.398 0.000 0.909 129 L CB 0.203 41.848 42.059 -0.691 0.000 1.137 129 L HN 0.291 nan 8.230 nan 0.000 0.470 130 G N 0.665 109.254 108.800 -0.351 0.000 2.157 130 G HA2 -0.267 3.677 3.960 -0.027 0.000 0.239 130 G HA3 -0.267 3.677 3.960 -0.027 0.000 0.239 130 G C -0.309 174.478 174.900 -0.189 0.000 0.982 130 G CA -0.205 44.642 45.100 -0.423 0.000 0.650 130 G HN 0.155 nan 8.290 nan 0.000 0.527 131 L N 0.933 122.151 121.223 -0.008 0.000 2.282 131 L HA 0.722 5.045 4.340 -0.027 0.000 0.288 131 L C 0.037 176.943 176.870 0.060 0.000 1.033 131 L CA -0.580 54.344 54.840 0.139 0.000 0.807 131 L CB 1.061 43.332 42.059 0.353 0.000 1.209 131 L HN 0.085 nan 8.230 nan 0.000 0.423 132 K N 6.927 127.353 120.400 0.044 0.000 2.484 132 K HA 0.404 4.708 4.320 -0.027 0.000 0.226 132 K C -2.353 174.255 176.600 0.013 0.000 1.031 132 K CA -1.570 54.723 56.287 0.011 0.000 1.026 132 K CB 0.713 33.211 32.500 -0.003 0.000 1.412 132 K HN 0.446 nan 8.250 nan 0.000 0.492 133 P HA 0.083 nan 4.420 nan 0.000 0.274 133 P C 0.340 177.611 177.300 -0.050 0.000 1.237 133 P CA -0.271 62.825 63.100 -0.007 0.000 0.793 133 P CB 1.063 32.771 31.700 0.013 0.000 0.977 134 E N 0.131 120.268 120.200 -0.105 0.000 2.110 134 E HA -0.095 4.239 4.350 -0.027 0.000 0.193 134 E C 0.351 176.835 176.600 -0.194 0.000 0.988 134 E CA 1.533 57.822 56.400 -0.185 0.000 0.804 134 E CB -0.019 29.430 29.700 -0.419 0.000 0.745 134 E HN 0.540 nan 8.360 nan 0.000 0.458 135 D N -1.880 118.409 120.400 -0.185 0.000 2.671 135 D HA 0.273 4.897 4.640 -0.027 0.000 0.273 135 D C -1.567 174.604 176.300 -0.214 0.000 1.264 135 D CA -0.590 53.282 54.000 -0.215 0.000 0.788 135 D CB 1.928 42.569 40.800 -0.265 0.000 1.324 135 D HN -0.279 nan 8.370 nan 0.000 0.424 136 V N 1.729 121.388 119.914 -0.425 0.000 2.656 136 V HA 0.663 4.767 4.120 -0.027 0.000 0.307 136 V C -0.814 174.948 176.094 -0.553 0.000 1.051 136 V CA -0.544 61.598 62.300 -0.262 0.000 0.893 136 V CB 1.524 33.271 31.823 -0.127 0.000 0.999 136 V HN 0.417 nan 8.190 nan 0.000 0.426 137 F N 3.731 123.692 119.950 0.017 0.000 2.576 137 F HA 0.671 5.182 4.527 -0.026 0.000 0.313 137 F C -0.278 175.522 175.800 0.000 0.000 1.078 137 F CA -0.721 57.293 58.000 0.023 0.000 0.921 137 F CB 1.905 40.927 39.000 0.036 0.000 1.232 137 F HN 0.135 nan 8.300 nan 0.000 0.459 138 L N 4.356 125.673 121.223 0.158 0.000 2.313 138 L HA 0.705 5.029 4.340 -0.027 0.000 0.283 138 L C -0.631 176.277 176.870 0.064 0.000 1.013 138 L CA -0.742 54.124 54.840 0.044 0.000 0.816 138 L CB 1.687 43.685 42.059 -0.103 0.000 1.236 138 L HN 0.600 nan 8.230 nan 0.000 0.419 139 I N -0.316 120.286 120.570 0.054 0.000 3.074 139 I HA 0.608 4.761 4.170 -0.027 0.000 0.310 139 I C -0.676 175.486 176.117 0.075 0.000 1.153 139 I CA -0.648 60.699 61.300 0.078 0.000 0.993 139 I CB 2.446 40.514 38.000 0.113 0.000 1.237 139 I HN 0.420 nan 8.210 nan 0.000 0.443 140 S N 2.292 118.048 115.700 0.093 0.000 2.667 140 S HA 0.650 5.104 4.470 -0.027 0.000 0.304 140 S C 0.743 175.412 174.600 0.115 0.000 1.135 140 S CA 0.007 58.270 58.200 0.104 0.000 1.125 140 S CB 1.129 64.389 63.200 0.100 0.000 0.996 140 S HN 0.915 nan 8.310 nan 0.000 0.474 141 A N 4.648 127.551 122.820 0.137 0.000 1.972 141 A HA 0.118 4.422 4.320 -0.027 0.000 0.219 141 A C 2.266 179.914 177.584 0.106 0.000 1.169 141 A CA 1.795 53.926 52.037 0.157 0.000 0.635 141 A CB -0.944 18.181 19.000 0.209 0.000 0.810 141 A HN 1.125 nan 8.150 nan 0.000 0.446 142 A N -0.381 122.496 122.820 0.095 0.000 1.898 142 A HA -0.089 4.215 4.320 -0.027 0.000 0.216 142 A C 2.105 179.726 177.584 0.062 0.000 1.181 142 A CA 1.648 53.728 52.037 0.073 0.000 0.620 142 A CB -0.237 18.807 19.000 0.072 0.000 0.819 142 A HN 0.505 nan 8.150 nan 0.000 0.442 143 K N -2.607 117.834 120.400 0.068 0.000 2.348 143 K HA 0.277 4.581 4.320 -0.027 0.000 0.194 143 K C 1.160 177.793 176.600 0.055 0.000 1.052 143 K CA 0.631 56.954 56.287 0.059 0.000 1.004 143 K CB 0.501 33.041 32.500 0.066 0.000 0.873 143 K HN 0.625 nan 8.250 nan 0.000 0.523 144 G N 1.715 110.553 108.800 0.063 0.000 2.253 144 G HA2 -0.279 3.664 3.960 -0.027 0.000 0.209 144 G HA3 -0.279 3.664 3.960 -0.027 0.000 0.209 144 G C 0.014 174.952 174.900 0.063 0.000 0.997 144 G CA -0.159 44.974 45.100 0.054 0.000 0.640 144 G HN 0.323 nan 8.290 nan 0.000 0.496 145 Q N 0.783 120.627 119.800 0.074 0.000 2.269 145 Q HA 0.343 4.666 4.340 -0.027 0.000 0.300 145 Q C 1.581 177.634 176.000 0.088 0.000 1.070 145 Q CA 1.647 57.499 55.803 0.082 0.000 0.957 145 Q CB -0.189 28.605 28.738 0.093 0.000 1.131 145 Q HN 1.797 nan 8.270 nan 0.000 0.377 146 G N 4.397 113.253 108.800 0.092 0.000 2.184 146 G HA2 -0.270 3.674 3.960 -0.027 0.000 0.264 146 G HA3 -0.270 3.674 3.960 -0.027 0.000 0.264 146 G C 0.629 175.592 174.900 0.106 0.000 0.975 146 G CA 0.270 45.437 45.100 0.113 0.000 0.642 146 G HN 0.671 nan 8.290 nan 0.000 0.536 147 I N 1.119 121.739 120.570 0.084 0.000 2.202 147 I HA -0.077 4.077 4.170 -0.027 0.000 0.242 147 I C 3.212 179.340 176.117 0.019 0.000 1.091 147 I CA 2.049 63.392 61.300 0.071 0.000 1.368 147 I CB -1.527 36.502 38.000 0.048 0.000 1.058 147 I HN 0.387 nan 8.210 nan 0.000 0.410 148 A N 0.447 123.268 122.820 0.002 0.000 1.902 148 A HA -0.263 4.041 4.320 -0.027 0.000 0.217 148 A C 2.365 179.945 177.584 -0.006 0.000 1.181 148 A CA 1.984 54.002 52.037 -0.031 0.000 0.623 148 A CB -0.730 18.257 19.000 -0.023 0.000 0.818 148 A HN 0.515 nan 8.150 nan 0.000 0.443 149 E N -0.660 119.566 120.200 0.043 0.000 2.051 149 E HA -0.208 4.125 4.350 -0.027 0.000 0.192 149 E C 1.908 178.542 176.600 0.056 0.000 0.991 149 E CA 1.391 57.843 56.400 0.087 0.000 0.799 149 E CB -0.215 29.579 29.700 0.157 0.000 0.748 149 E HN 0.438 nan 8.360 nan 0.000 0.449 150 L N 0.887 122.100 121.223 -0.017 0.000 2.046 150 L HA -0.079 4.244 4.340 -0.027 0.000 0.208 150 L C 2.259 179.078 176.870 -0.085 0.000 1.077 150 L CA 2.235 56.930 54.840 -0.242 0.000 0.747 150 L CB -0.860 41.095 42.059 -0.174 0.000 0.896 150 L HN 0.188 nan 8.230 nan 0.000 0.432 151 A N -0.726 122.095 122.820 0.002 0.000 1.908 151 A HA -0.239 4.064 4.320 -0.027 0.000 0.218 151 A C 1.996 179.641 177.584 0.102 0.000 1.181 151 A CA 1.944 54.011 52.037 0.050 0.000 0.627 151 A CB -0.906 17.966 19.000 -0.213 0.000 0.818 151 A HN 0.536 nan 8.150 nan 0.000 0.445 152 D N 0.024 120.448 120.400 0.040 0.000 2.123 152 D HA -0.070 4.554 4.640 -0.027 0.000 0.196 152 D C 2.228 178.606 176.300 0.131 0.000 0.992 152 D CA 1.646 55.689 54.000 0.072 0.000 0.833 152 D CB -0.446 40.381 40.800 0.044 0.000 0.954 152 D HN 0.432 nan 8.370 nan 0.000 0.455 153 A N 0.438 123.335 122.820 0.128 0.000 1.930 153 A HA -0.102 4.202 4.320 -0.027 0.000 0.217 153 A C 2.371 180.148 177.584 0.320 0.000 1.175 153 A CA 0.748 52.942 52.037 0.262 0.000 0.627 153 A CB -0.653 18.503 19.000 0.260 0.000 0.815 153 A HN 0.195 nan 8.150 nan 0.000 0.443 154 I N -0.520 120.165 120.570 0.191 0.000 2.226 154 I HA -0.215 3.938 4.170 -0.027 0.000 0.245 154 I C 2.528 178.754 176.117 0.182 0.000 1.100 154 I CA 1.232 62.649 61.300 0.194 0.000 1.374 154 I CB -0.250 37.852 38.000 0.170 0.000 1.057 154 I HN 0.297 nan 8.210 nan 0.000 0.413 155 E N 0.078 120.402 120.200 0.206 0.000 2.106 155 E HA -0.245 4.089 4.350 -0.027 0.000 0.192 155 E C 1.963 178.633 176.600 0.116 0.000 0.984 155 E CA 1.362 57.858 56.400 0.159 0.000 0.806 155 E CB -0.281 29.544 29.700 0.209 0.000 0.750 155 E HN 0.526 nan 8.360 nan 0.000 0.458 156 Y N 0.066 120.365 120.300 -0.000 0.000 2.133 156 Y HA -0.235 4.298 4.550 -0.028 0.000 0.287 156 Y C 2.016 177.845 175.900 -0.119 0.000 1.134 156 Y CA 1.669 59.699 58.100 -0.118 0.000 1.133 156 Y CB -0.627 37.675 38.460 -0.262 0.000 0.987 156 Y HN 0.023 nan 8.280 nan 0.000 0.502 157 Y N 0.881 121.224 120.300 0.072 0.000 2.373 157 Y HA -0.142 4.391 4.550 -0.028 0.000 0.293 157 Y C 2.532 178.401 175.900 -0.052 0.000 1.129 157 Y CA 1.266 59.358 58.100 -0.013 0.000 1.226 157 Y CB -0.251 38.298 38.460 0.148 0.000 1.000 157 Y HN 0.166 nan 8.280 nan 0.000 0.549 158 R N 0.578 121.139 120.500 0.102 0.000 2.189 158 R HA 0.035 4.358 4.340 -0.027 0.000 0.223 158 R C 1.533 177.829 176.300 -0.006 0.000 1.092 158 R CA 0.948 57.077 56.100 0.048 0.000 0.989 158 R CB -0.842 29.467 30.300 0.016 0.000 0.876 158 R HN 0.216 nan 8.270 nan 0.000 0.457 159 G N 0.593 109.355 108.800 -0.063 0.000 2.305 159 G HA2 -0.179 3.764 3.960 -0.027 0.000 0.287 159 G HA3 -0.179 3.764 3.960 -0.027 0.000 0.287 159 G C 0.837 175.709 174.900 -0.047 0.000 1.036 159 G CA 0.563 45.614 45.100 -0.083 0.000 0.887 159 G HN 1.043 nan 8.290 nan 0.000 0.505 160 G N -1.847 106.928 108.800 -0.042 0.000 2.179 160 G HA2 -0.262 3.682 3.960 -0.027 0.000 0.260 160 G HA3 -0.262 3.682 3.960 -0.027 0.000 0.260 160 G C 0.672 175.554 174.900 -0.031 0.000 0.977 160 G CA 1.297 46.376 45.100 -0.035 0.000 0.641 160 G HN 0.927 nan 8.290 nan 0.000 0.533 161 K N 0.769 121.156 120.400 -0.021 0.000 2.240 161 K HA 0.508 4.812 4.320 -0.027 0.000 0.237 161 K C 0.252 176.838 176.600 -0.023 0.000 1.027 161 K CA -0.822 55.463 56.287 -0.004 0.000 0.937 161 K CB 0.395 32.910 32.500 0.025 0.000 1.171 161 K HN 0.125 nan 8.250 nan 0.000 0.479 162 D N 0.204 120.607 120.400 0.005 0.000 2.363 162 D HA 0.197 4.820 4.640 -0.027 0.000 0.240 162 D C -0.312 175.964 176.300 -0.039 0.000 1.236 162 D CA -0.096 53.880 54.000 -0.040 0.000 0.927 162 D CB 0.733 41.579 40.800 0.076 0.000 1.150 162 D HN -0.041 nan 8.370 nan 0.000 0.458 163 V N 1.090 120.913 119.914 -0.151 0.000 2.709 163 V HA 0.270 4.374 4.120 -0.027 0.000 0.308 163 V C -1.096 174.903 176.094 -0.158 0.000 1.062 163 V CA -0.810 61.446 62.300 -0.074 0.000 0.901 163 V CB 1.394 33.163 31.823 -0.091 0.000 1.003 163 V HN 0.363 nan 8.190 nan 0.000 0.425 164 Y N 2.450 122.820 120.300 0.117 0.000 2.335 164 Y HA 0.638 5.167 4.550 -0.035 0.000 0.338 164 Y C 0.041 176.003 175.900 0.103 0.000 0.977 164 Y CA -0.803 57.379 58.100 0.138 0.000 1.114 164 Y CB 2.134 40.656 38.460 0.103 0.000 1.182 164 Y HN 0.384 nan 8.280 nan 0.000 0.463 165 V N 5.335 125.393 119.914 0.241 0.000 2.394 165 V HA 0.571 4.674 4.120 -0.027 0.000 0.282 165 V C -0.368 175.819 176.094 0.155 0.000 1.031 165 V CA -0.790 61.622 62.300 0.187 0.000 0.881 165 V CB 1.162 33.133 31.823 0.247 0.000 0.982 165 V HN 0.581 nan 8.190 nan 0.000 0.451 166 V N 1.958 121.919 119.914 0.078 0.000 2.823 166 V HA 1.141 5.244 4.120 -0.027 0.000 0.312 166 V C 0.012 176.082 176.094 -0.041 0.000 1.072 166 V CA -0.263 62.062 62.300 0.041 0.000 0.937 166 V CB 1.631 33.484 31.823 0.051 0.000 1.013 166 V HN 1.167 nan 8.190 nan 0.000 0.430 167 G N 0.608 109.371 108.800 -0.060 0.000 2.519 167 G HA2 0.478 4.421 3.960 -0.027 0.000 0.292 167 G HA3 0.478 4.421 3.960 -0.027 0.000 0.292 167 G C -0.997 173.833 174.900 -0.117 0.000 1.507 167 G CA -0.330 44.707 45.100 -0.104 0.000 0.806 167 G HN 1.016 nan 8.290 nan 0.000 0.523 168 C N -0.024 119.201 119.300 -0.125 0.000 2.649 168 C HA 0.674 5.117 4.460 -0.027 0.000 0.377 168 C C 1.707 176.646 174.990 -0.085 0.000 1.321 168 C CA 0.126 59.071 59.018 -0.121 0.000 2.368 168 C CB 1.028 28.709 27.740 -0.100 0.000 2.597 168 C HN 0.892 nan 8.230 nan 0.000 0.678 169 T N 1.499 116.000 114.554 -0.088 0.000 2.940 169 T HA 0.076 4.409 4.350 -0.027 0.000 0.309 169 T C 0.826 175.512 174.700 -0.023 0.000 1.056 169 T CA 0.867 62.933 62.100 -0.056 0.000 1.137 169 T CB -0.226 68.602 68.868 -0.065 0.000 0.976 169 T HN 0.913 nan 8.240 nan 0.000 0.547 170 N N 0.982 119.681 118.700 -0.003 0.000 2.878 170 N HA -0.187 4.537 4.740 -0.027 0.000 0.247 170 N C 0.852 176.385 175.510 0.038 0.000 1.021 170 N CA 1.363 54.427 53.050 0.022 0.000 0.873 170 N CB -1.646 36.858 38.487 0.028 0.000 1.128 170 N HN 0.604 nan 8.380 nan 0.000 0.571 171 V N -3.990 115.937 119.914 0.022 0.000 2.951 171 V HA 0.496 4.599 4.120 -0.027 0.000 0.255 171 V C 1.666 177.786 176.094 0.043 0.000 1.088 171 V CA 1.465 63.782 62.300 0.028 0.000 1.109 171 V CB -0.014 31.799 31.823 -0.016 0.000 0.724 171 V HN 0.791 nan 8.190 nan 0.000 0.471 172 G N 0.405 109.234 108.800 0.048 0.000 2.145 172 G HA2 -0.223 3.720 3.960 -0.027 0.000 0.145 172 G HA3 -0.223 3.720 3.960 -0.027 0.000 0.145 172 G C 0.637 175.602 174.900 0.108 0.000 1.017 172 G CA 0.375 45.521 45.100 0.077 0.000 0.682 172 G HN 0.543 nan 8.290 nan 0.000 0.504 173 K N 0.562 121.012 120.400 0.084 0.000 2.057 173 K HA -0.034 4.269 4.320 -0.027 0.000 0.207 173 K C 2.683 179.387 176.600 0.174 0.000 1.049 173 K CA 2.009 58.379 56.287 0.139 0.000 0.931 173 K CB -0.264 32.284 32.500 0.081 0.000 0.714 173 K HN 0.374 nan 8.250 nan 0.000 0.440 174 S N -0.251 115.510 115.700 0.102 0.000 2.359 174 S HA -0.145 4.308 4.470 -0.027 0.000 0.224 174 S C 1.754 176.401 174.600 0.079 0.000 1.035 174 S CA 2.112 60.357 58.200 0.075 0.000 1.018 174 S CB -0.508 62.719 63.200 0.045 0.000 0.876 174 S HN 0.473 nan 8.310 nan 0.000 0.448 175 T N 1.239 115.851 114.554 0.097 0.000 2.788 175 T HA -0.056 4.278 4.350 -0.027 0.000 0.268 175 T C 1.344 176.115 174.700 0.119 0.000 1.044 175 T CA 1.493 63.648 62.100 0.092 0.000 1.139 175 T CB -0.509 68.417 68.868 0.097 0.000 0.867 175 T HN 0.566 nan 8.240 nan 0.000 0.454 176 F N 1.752 121.716 119.950 0.023 0.000 2.163 176 F HA 0.021 4.527 4.527 -0.034 0.000 0.297 176 F C 1.900 177.715 175.800 0.025 0.000 1.094 176 F CA 0.659 58.673 58.000 0.024 0.000 1.290 176 F CB -0.354 38.660 39.000 0.023 0.000 1.017 176 F HN -0.023 nan 8.300 nan 0.000 0.483 177 I N 1.148 121.680 120.570 -0.064 0.000 2.208 177 I HA -0.320 3.833 4.170 -0.027 0.000 0.245 177 I C 1.928 177.946 176.117 -0.166 0.000 1.097 177 I CA 1.282 62.484 61.300 -0.163 0.000 1.363 177 I CB -1.592 36.406 38.000 -0.003 0.000 1.051 177 I HN 0.232 nan 8.210 nan 0.000 0.413 178 N N 0.616 119.265 118.700 -0.086 0.000 2.149 178 N HA -0.123 4.601 4.740 -0.027 0.000 0.188 178 N C 1.195 176.644 175.510 -0.101 0.000 1.019 178 N CA 0.810 53.819 53.050 -0.068 0.000 0.857 178 N CB -0.179 38.292 38.487 -0.026 0.000 0.997 178 N HN 0.267 nan 8.380 nan 0.000 0.426 182 K N 1.990 122.355 120.400 -0.058 0.000 2.025 182 K HA -0.074 4.229 4.320 -0.027 0.000 0.207 182 K C 1.788 178.318 176.600 -0.117 0.000 1.049 182 K CA 1.888 58.132 56.287 -0.071 0.000 0.933 182 K CB -0.045 32.411 32.500 -0.074 0.000 0.714 182 K HN 0.130 nan 8.250 nan 0.000 0.438 183 E N -0.548 119.536 120.200 -0.193 0.000 2.160 183 E HA -0.149 4.185 4.350 -0.027 0.000 0.195 183 E C 1.366 177.638 176.600 -0.547 0.000 0.991 183 E CA 1.106 57.264 56.400 -0.404 0.000 0.810 183 E CB -0.108 29.236 29.700 -0.592 0.000 0.742 183 E HN 0.370 nan 8.360 nan 0.000 0.466 184 F N -0.005 119.895 119.950 -0.084 0.000 2.678 184 F HA 0.063 4.573 4.527 -0.028 0.000 0.305 184 F C 2.189 177.949 175.800 -0.067 0.000 1.090 184 F CA 0.186 58.141 58.000 -0.076 0.000 1.272 184 F CB 0.017 38.962 39.000 -0.093 0.000 1.060 184 F HN -0.092 nan 8.300 nan 0.000 0.576 185 S N -0.614 115.113 115.700 0.045 0.000 2.382 185 S HA -0.182 4.272 4.470 -0.027 0.000 0.228 185 S C 1.333 175.938 174.600 0.009 0.000 1.027 185 S CA 1.626 59.837 58.200 0.018 0.000 0.991 185 S CB -0.330 62.864 63.200 -0.010 0.000 0.823 185 S HN 0.252 nan 8.310 nan 0.000 0.469 186 D N 1.074 121.471 120.400 -0.005 0.000 2.328 186 D HA 0.128 4.752 4.640 -0.027 0.000 0.226 186 D C 1.284 177.588 176.300 0.007 0.000 1.066 186 D CA 0.253 54.249 54.000 -0.007 0.000 0.861 186 D CB 0.039 40.825 40.800 -0.023 0.000 0.912 186 D HN 0.482 nan 8.370 nan 0.000 0.521 187 E N -0.255 119.965 120.200 0.034 0.000 2.415 187 E HA 0.033 4.366 4.350 -0.027 0.000 0.197 187 E C 0.873 177.496 176.600 0.039 0.000 1.007 187 E CA 0.381 56.813 56.400 0.053 0.000 0.890 187 E CB 0.862 30.639 29.700 0.129 0.000 0.891 187 E HN 0.098 nan 8.360 nan 0.000 0.496 188 T N -1.055 113.515 114.554 0.026 0.000 2.868 188 T HA 0.254 4.588 4.350 -0.027 0.000 0.306 188 T C 0.070 174.769 174.700 -0.002 0.000 1.224 188 T CA -0.526 61.578 62.100 0.007 0.000 1.012 188 T CB 1.702 70.567 68.868 -0.006 0.000 1.221 188 T HN -0.209 nan 8.240 nan 0.000 0.499 189 E N 1.003 121.198 120.200 -0.007 0.000 2.230 189 E HA 0.064 4.398 4.350 -0.027 0.000 0.192 189 E C 0.136 176.729 176.600 -0.013 0.000 0.987 189 E CA 0.067 56.462 56.400 -0.008 0.000 0.841 189 E CB 0.099 29.795 29.700 -0.007 0.000 0.783 189 E HN 0.439 nan 8.360 nan 0.000 0.481 190 N N 1.177 119.865 118.700 -0.019 0.000 2.441 190 N HA 0.010 4.734 4.740 -0.027 0.000 0.251 190 N C -0.214 175.280 175.510 -0.027 0.000 1.242 190 N CA 0.036 53.072 53.050 -0.025 0.000 0.898 190 N CB 0.954 39.419 38.487 -0.036 0.000 1.100 190 N HN -0.085 nan 8.380 nan 0.000 0.443 191 V N -0.540 119.358 119.914 -0.026 0.000 2.975 191 V HA 0.543 4.646 4.120 -0.027 0.000 0.318 191 V C 0.692 176.764 176.094 -0.037 0.000 1.077 191 V CA -1.092 61.192 62.300 -0.027 0.000 1.000 191 V CB 0.889 32.701 31.823 -0.018 0.000 1.066 191 V HN 0.488 nan 8.190 nan 0.000 0.452 192 I N 2.982 123.529 120.570 -0.038 0.000 2.815 192 I HA 0.273 4.427 4.170 -0.027 0.000 0.291 192 I C 0.854 176.952 176.117 -0.033 0.000 1.209 192 I CA 1.114 62.386 61.300 -0.046 0.000 1.431 192 I CB 0.962 38.938 38.000 -0.041 0.000 1.351 192 I HN 1.086 nan 8.210 nan 0.000 0.585 193 T N 0.874 115.409 114.554 -0.032 0.000 2.901 193 T HA 0.639 4.973 4.350 -0.027 0.000 0.293 193 T C -0.370 174.325 174.700 -0.008 0.000 1.084 193 T CA -0.913 61.179 62.100 -0.013 0.000 1.008 193 T CB 1.838 70.707 68.868 0.001 0.000 1.170 193 T HN 0.630 nan 8.240 nan 0.000 0.509 194 T N -0.880 113.665 114.554 -0.015 0.000 2.925 194 T HA 0.804 5.138 4.350 -0.027 0.000 0.285 194 T C -0.231 174.446 174.700 -0.038 0.000 1.021 194 T CA -0.705 61.376 62.100 -0.033 0.000 1.042 194 T CB 1.281 70.106 68.868 -0.071 0.000 1.037 194 T HN 1.237 nan 8.240 nan 0.000 0.481 195 S N 0.764 116.437 115.700 -0.045 0.000 2.564 195 S HA 0.503 4.957 4.470 -0.027 0.000 0.274 195 S C -1.025 173.535 174.600 -0.066 0.000 1.124 195 S CA -1.100 57.083 58.200 -0.028 0.000 0.869 195 S CB 1.049 64.281 63.200 0.054 0.000 1.105 195 S HN 0.814 nan 8.310 nan 0.000 0.472 196 H N 0.586 119.696 119.070 0.067 0.000 2.505 196 H HA 0.372 4.900 4.556 -0.047 0.000 0.355 196 H C -0.869 174.530 175.328 0.118 0.000 1.179 196 H CA -0.157 55.949 56.048 0.095 0.000 1.343 196 H CB 0.903 30.709 29.762 0.074 0.000 1.501 196 H HN 0.669 nan 8.280 nan 0.000 0.569 197 F N 3.171 123.213 119.950 0.153 0.000 2.410 197 F HA 0.226 4.766 4.527 0.021 0.000 0.348 197 F C -1.466 174.377 175.800 0.072 0.000 1.106 197 F CA -1.394 56.656 58.000 0.084 0.000 1.163 197 F CB 0.304 39.346 39.000 0.070 0.000 1.129 197 F HN 0.436 nan 8.300 nan 0.000 0.516 204 L N 1.684 122.889 121.223 -0.029 0.000 2.331 204 L HA 0.564 4.887 4.340 -0.027 0.000 0.275 204 L C 0.566 177.458 176.870 0.036 0.000 1.022 204 L CA -0.825 54.035 54.840 0.034 0.000 0.812 204 L CB 1.739 43.857 42.059 0.098 0.000 1.257 204 L HN 0.521 nan 8.230 nan 0.000 0.435 205 I N 2.610 123.204 120.570 0.039 0.000 2.529 205 I HA 0.106 4.260 4.170 -0.027 0.000 0.284 205 I C -0.538 175.597 176.117 0.031 0.000 1.082 205 I CA 0.054 61.365 61.300 0.019 0.000 1.406 205 I CB 0.523 38.518 38.000 -0.008 0.000 1.405 205 I HN 0.490 nan 8.210 nan 0.000 0.548 206 D N 9.015 129.407 120.400 -0.013 0.000 2.425 206 D HA 0.382 5.005 4.640 -0.027 0.000 0.240 206 D C -0.477 175.702 176.300 -0.201 0.000 1.080 206 D CA 0.017 53.936 54.000 -0.136 0.000 0.836 206 D CB 1.803 42.591 40.800 -0.020 0.000 1.125 206 D HN 0.343 nan 8.370 nan 0.000 0.525 207 I N 3.054 123.446 120.570 -0.296 0.000 2.328 207 I HA 0.212 4.366 4.170 -0.027 0.000 0.287 207 I C -2.355 173.584 176.117 -0.297 0.000 1.012 207 I CA -2.123 59.036 61.300 -0.234 0.000 1.195 207 I CB 1.637 39.517 38.000 -0.200 0.000 1.350 207 I HN -0.107 nan 8.210 nan 0.000 0.464 208 P HA 0.129 nan 4.420 nan 0.000 0.267 208 P C 0.314 177.478 177.300 -0.227 0.000 1.205 208 P CA 0.063 63.040 63.100 -0.204 0.000 0.765 208 P CB 0.839 32.469 31.700 -0.116 0.000 0.828 209 L N 1.550 122.603 121.223 -0.283 0.000 2.316 209 L HA 0.157 4.480 4.340 -0.027 0.000 0.207 209 L C 0.781 177.570 176.870 -0.136 0.000 1.070 209 L CA 0.846 55.491 54.840 -0.326 0.000 0.820 209 L CB -0.196 41.598 42.059 -0.442 0.000 0.992 209 L HN 0.443 nan 8.230 nan 0.000 0.466 210 D N -3.257 117.075 120.400 -0.114 0.000 2.895 210 D HA 0.077 4.700 4.640 -0.027 0.000 0.320 210 D C 0.263 176.527 176.300 -0.060 0.000 1.249 210 D CA -0.617 53.347 54.000 -0.059 0.000 0.997 210 D CB 0.217 40.993 40.800 -0.041 0.000 1.430 210 D HN -0.283 nan 8.370 nan 0.000 0.558 211 E N -0.502 119.674 120.200 -0.039 0.000 2.511 211 E HA 0.005 4.338 4.350 -0.027 0.000 0.196 211 E C 0.210 176.789 176.600 -0.035 0.000 1.066 211 E CA 0.624 57.003 56.400 -0.034 0.000 0.871 211 E CB 0.265 29.952 29.700 -0.021 0.000 0.863 211 E HN 0.548 nan 8.360 nan 0.000 0.520 212 E N -0.123 120.052 120.200 -0.041 0.000 2.606 212 E HA 0.064 4.398 4.350 -0.027 0.000 0.224 212 E C -0.008 176.567 176.600 -0.042 0.000 0.930 212 E CA -0.037 56.344 56.400 -0.032 0.000 1.125 212 E CB 0.947 30.634 29.700 -0.022 0.000 1.123 212 E HN 0.034 nan 8.360 nan 0.000 0.522 213 S N -0.515 115.137 115.700 -0.079 0.000 2.579 213 S HA 0.716 5.169 4.470 -0.027 0.000 0.272 213 S C -0.539 173.931 174.600 -0.217 0.000 1.141 213 S CA -0.798 57.334 58.200 -0.113 0.000 0.843 213 S CB 2.326 65.466 63.200 -0.099 0.000 1.122 213 S HN -0.080 nan 8.310 nan 0.000 0.468 214 S N 0.501 116.002 115.700 -0.332 0.000 2.627 214 S HA 0.662 5.115 4.470 -0.027 0.000 0.283 214 S C -1.382 172.791 174.600 -0.710 0.000 1.127 214 S CA -0.867 56.991 58.200 -0.569 0.000 0.863 214 S CB 1.487 64.197 63.200 -0.817 0.000 1.121 214 S HN 0.888 nan 8.310 nan 0.000 0.479 215 L N 2.218 123.032 121.223 -0.682 0.000 2.282 215 L HA 0.592 4.916 4.340 -0.027 0.000 0.288 215 L C -1.899 174.606 176.870 -0.609 0.000 1.033 215 L CA -0.518 53.993 54.840 -0.547 0.000 0.807 215 L CB 0.399 42.223 42.059 -0.392 0.000 1.209 215 L HN 0.692 nan 8.230 nan 0.000 0.423 216 Y N 3.211 123.331 120.300 -0.300 0.000 2.331 216 Y HA 0.307 4.837 4.550 -0.033 0.000 0.338 216 Y C 0.050 175.921 175.900 -0.049 0.000 0.992 216 Y CA -0.688 57.283 58.100 -0.214 0.000 1.121 216 Y CB 1.417 39.645 38.460 -0.385 0.000 1.184 216 Y HN 0.574 nan 8.280 nan 0.000 0.469 217 D N 1.912 122.405 120.400 0.154 0.000 2.341 217 D HA 0.275 4.899 4.640 -0.027 0.000 0.245 217 D C -0.279 176.146 176.300 0.208 0.000 1.106 217 D CA 0.032 54.124 54.000 0.154 0.000 0.905 217 D CB 1.017 41.876 40.800 0.099 0.000 1.202 217 D HN 0.598 nan 8.370 nan 0.000 0.426 218 T N -0.350 114.319 114.554 0.193 0.000 2.916 218 T HA 0.669 5.003 4.350 -0.027 0.000 0.292 218 T C -2.730 172.034 174.700 0.108 0.000 1.055 218 T CA -2.127 60.096 62.100 0.205 0.000 1.009 218 T CB 1.518 70.534 68.868 0.247 0.000 1.118 218 T HN 0.080 nan 8.240 nan 0.000 0.497 219 P HA 0.281 nan 4.420 nan 0.000 0.264 219 P C 0.557 177.793 177.300 -0.107 0.000 1.193 219 P CA 0.111 63.174 63.100 -0.062 0.000 0.763 219 P CB 0.042 31.615 31.700 -0.211 0.000 0.810 220 G N 3.943 112.681 108.800 -0.103 0.000 2.432 220 G HA2 0.228 4.172 3.960 -0.027 0.000 0.239 220 G HA3 0.228 4.172 3.960 -0.027 0.000 0.239 220 G C -0.240 174.529 174.900 -0.219 0.000 1.291 220 G CA -0.321 44.702 45.100 -0.129 0.000 0.863 220 G HN 0.386 nan 8.290 nan 0.000 0.560 221 I N 2.720 123.129 120.570 -0.268 0.000 2.396 221 I HA 0.196 4.349 4.170 -0.027 0.000 0.292 221 I C 0.360 176.317 176.117 -0.267 0.000 0.999 221 I CA -1.147 59.932 61.300 -0.368 0.000 1.310 221 I CB 1.434 39.133 38.000 -0.502 0.000 1.404 221 I HN 0.208 nan 8.210 nan 0.000 0.496 222 I N 6.056 126.456 120.570 -0.283 0.000 2.337 222 I HA 0.133 4.286 4.170 -0.027 0.000 0.291 222 I C 0.185 176.069 176.117 -0.388 0.000 1.046 222 I CA -0.282 60.822 61.300 -0.327 0.000 1.324 222 I CB 0.024 37.779 38.000 -0.409 0.000 1.409 222 I HN 0.398 nan 8.210 nan 0.000 0.494 223 N N 6.142 124.660 118.700 -0.304 0.000 2.462 223 N HA 0.179 4.902 4.740 -0.027 0.000 0.242 223 N C 1.028 176.283 175.510 -0.425 0.000 1.010 223 N CA -0.290 52.634 53.050 -0.210 0.000 0.939 223 N CB 0.565 39.012 38.487 -0.066 0.000 1.127 223 N HN 0.344 nan 8.380 nan 0.000 0.509 224 H N 0.647 119.458 119.070 -0.432 0.000 2.559 224 H HA -0.011 4.529 4.556 -0.027 0.000 0.273 224 H C 0.353 175.237 175.328 -0.740 0.000 1.000 224 H CA 0.907 56.378 56.048 -0.961 0.000 1.195 224 H CB 0.686 30.088 29.762 -0.600 0.000 1.368 224 H HN 0.609 nan 8.280 nan 0.000 0.592 225 H N 0.376 119.367 119.070 -0.131 0.000 2.874 225 H HA 0.047 4.586 4.556 -0.028 0.000 0.264 225 H C 1.095 176.465 175.328 0.070 0.000 1.007 225 H CA -0.093 55.992 56.048 0.062 0.000 1.207 225 H CB 1.132 30.983 29.762 0.149 0.000 1.487 225 H HN 0.526 nan 8.280 nan 0.000 0.505 229 H N -1.094 117.849 119.070 -0.212 0.000 2.495 229 H HA 0.062 4.599 4.556 -0.032 0.000 0.287 229 H C 1.065 176.223 175.328 -0.283 0.000 1.033 229 H CA 2.204 58.054 56.048 -0.331 0.000 1.307 229 H CB -0.019 29.431 29.762 -0.520 0.000 1.401 229 H HN 0.563 nan 8.280 nan 0.000 0.555 230 Y N -0.527 119.818 120.300 0.075 0.000 2.457 230 Y HA 0.197 4.734 4.550 -0.023 0.000 0.263 230 Y C 0.424 176.338 175.900 0.024 0.000 1.164 230 Y CA -0.019 58.107 58.100 0.043 0.000 1.274 230 Y CB 0.206 38.736 38.460 0.116 0.000 1.097 230 Y HN 0.058 nan 8.280 nan 0.000 0.523 231 V N -2.483 117.503 119.914 0.121 0.000 2.864 231 V HA 0.997 5.101 4.120 -0.027 0.000 0.314 231 V C 0.473 176.585 176.094 0.031 0.000 1.073 231 V CA -0.996 61.357 62.300 0.089 0.000 0.956 231 V CB 1.244 33.134 31.823 0.110 0.000 1.023 231 V HN 0.084 nan 8.190 nan 0.000 0.435 232 G N 1.301 110.118 108.800 0.029 0.000 2.543 232 G HA2 0.382 4.325 3.960 -0.027 0.000 0.290 232 G HA3 0.382 4.325 3.960 -0.027 0.000 0.290 232 G C 0.284 175.194 174.900 0.017 0.000 1.310 232 G CA -0.511 44.596 45.100 0.011 0.000 1.025 232 G HN 0.880 nan 8.290 nan 0.000 0.502 233 K N -0.689 119.717 120.400 0.010 0.000 2.002 233 K HA -0.110 4.193 4.320 -0.027 0.000 0.209 233 K C 2.668 179.280 176.600 0.020 0.000 1.048 233 K CA 1.300 57.596 56.287 0.013 0.000 0.930 233 K CB -0.083 32.422 32.500 0.008 0.000 0.714 233 K HN 0.290 nan 8.250 nan 0.000 0.438 234 Q N 0.394 120.205 119.800 0.019 0.000 2.119 234 Q HA -0.113 4.210 4.340 -0.027 0.000 0.201 234 Q C 2.307 178.325 176.000 0.030 0.000 0.972 234 Q CA 1.245 57.061 55.803 0.022 0.000 0.847 234 Q CB -0.342 28.407 28.738 0.018 0.000 0.903 234 Q HN 0.201 nan 8.270 nan 0.000 0.433 235 S N 0.672 116.393 115.700 0.035 0.000 2.355 235 S HA -0.109 4.345 4.470 -0.027 0.000 0.222 235 S C 1.878 176.513 174.600 0.058 0.000 1.031 235 S CA 0.697 58.926 58.200 0.049 0.000 0.993 235 S CB -0.165 63.068 63.200 0.055 0.000 0.859 235 S HN 0.273 nan 8.310 nan 0.000 0.453 236 L N 2.496 123.751 121.223 0.054 0.000 2.127 236 L HA -0.004 4.320 4.340 -0.027 0.000 0.211 236 L C 2.553 179.456 176.870 0.054 0.000 1.089 236 L CA 2.556 57.432 54.840 0.060 0.000 0.757 236 L CB -1.125 40.964 42.059 0.050 0.000 0.899 236 L HN 0.384 nan 8.230 nan 0.000 0.434 237 K N -0.413 120.013 120.400 0.042 0.000 2.147 237 K HA -0.101 4.202 4.320 -0.027 0.000 0.205 237 K C 1.971 178.593 176.600 0.037 0.000 1.049 237 K CA 2.023 58.331 56.287 0.035 0.000 0.936 237 K CB -1.235 31.282 32.500 0.028 0.000 0.722 237 K HN 0.567 nan 8.250 nan 0.000 0.446 238 L N -0.654 120.595 121.223 0.044 0.000 2.131 238 L HA 0.019 4.342 4.340 -0.027 0.000 0.206 238 L C 2.466 179.370 176.870 0.057 0.000 1.087 238 L CA 0.730 55.597 54.840 0.045 0.000 0.767 238 L CB -0.230 41.858 42.059 0.049 0.000 0.917 238 L HN 0.221 nan 8.230 nan 0.000 0.441 239 I N -0.838 119.776 120.570 0.075 0.000 2.546 239 I HA -0.110 4.044 4.170 -0.027 0.000 0.255 239 I C 1.294 177.460 176.117 0.081 0.000 1.163 239 I CA 0.661 62.020 61.300 0.099 0.000 1.457 239 I CB -0.477 37.600 38.000 0.129 0.000 1.092 239 I HN 0.235 nan 8.210 nan 0.000 0.434 240 T N -0.501 114.085 114.554 0.054 0.000 2.771 240 T HA 0.428 4.761 4.350 -0.027 0.000 0.291 240 T C -2.554 172.139 174.700 -0.011 0.000 0.954 240 T CA -2.122 59.991 62.100 0.022 0.000 1.045 240 T CB 0.997 69.885 68.868 0.032 0.000 0.917 240 T HN -0.192 nan 8.240 nan 0.000 0.484 241 P HA 0.185 nan 4.420 nan 0.000 0.271 241 P C 1.130 178.401 177.300 -0.049 0.000 1.216 241 P CA -0.431 62.622 63.100 -0.078 0.000 0.771 241 P CB 0.728 32.325 31.700 -0.172 0.000 0.864 242 T N -1.048 113.492 114.554 -0.022 0.000 3.051 242 T HA 0.279 4.612 4.350 -0.027 0.000 0.255 242 T C 0.773 175.474 174.700 0.002 0.000 1.085 242 T CA 0.776 62.874 62.100 -0.004 0.000 1.109 242 T CB -0.324 68.547 68.868 0.004 0.000 0.921 242 T HN 0.523 nan 8.240 nan 0.000 0.488 243 K N 0.873 121.270 120.400 -0.005 0.000 2.399 243 K HA 0.608 4.912 4.320 -0.027 0.000 0.260 243 K C -0.658 175.947 176.600 0.010 0.000 1.049 243 K CA -0.775 55.518 56.287 0.011 0.000 0.890 243 K CB 0.316 32.825 32.500 0.014 0.000 1.430 243 K HN 0.422 nan 8.250 nan 0.000 0.459 244 E N 0.988 121.212 120.200 0.039 0.000 2.652 244 E HA 0.012 4.345 4.350 -0.027 0.000 0.255 244 E C -0.497 176.127 176.600 0.040 0.000 0.952 244 E CA -0.001 56.438 56.400 0.065 0.000 0.947 244 E CB -0.165 29.584 29.700 0.082 0.000 0.912 244 E HN 0.388 nan 8.360 nan 0.000 0.489 245 I N 5.127 125.725 120.570 0.048 0.000 2.598 245 I HA -0.017 4.137 4.170 -0.027 0.000 0.284 245 I C 0.775 176.910 176.117 0.030 0.000 1.140 245 I CA 0.407 61.713 61.300 0.009 0.000 1.420 245 I CB 0.360 38.350 38.000 -0.015 0.000 1.387 245 I HN 0.386 nan 8.210 nan 0.000 0.553 246 K N 8.560 128.949 120.400 -0.019 0.000 2.262 246 K HA 0.404 4.708 4.320 -0.027 0.000 0.282 246 K C -2.269 174.264 176.600 -0.111 0.000 1.066 246 K CA -1.502 54.766 56.287 -0.032 0.000 0.901 246 K CB 0.922 33.402 32.500 -0.035 0.000 1.089 246 K HN 0.251 nan 8.250 nan 0.000 0.476 250 F N 2.342 122.299 119.950 0.012 0.000 2.432 250 F HA 0.767 5.278 4.527 -0.028 0.000 0.329 250 F C 0.418 176.262 175.800 0.073 0.000 1.076 250 F CA -0.381 57.652 58.000 0.056 0.000 1.018 250 F CB 2.064 41.125 39.000 0.102 0.000 1.201 250 F HN 0.420 nan 8.300 nan 0.000 0.489 251 Q N 2.729 122.696 119.800 0.277 0.000 2.347 251 Q HA 0.652 4.976 4.340 -0.027 0.000 0.265 251 Q C -0.721 175.432 176.000 0.255 0.000 1.024 251 Q CA -0.164 55.755 55.803 0.193 0.000 0.731 251 Q CB 1.691 30.484 28.738 0.093 0.000 1.245 251 Q HN 0.662 nan 8.270 nan 0.000 0.472 252 L N 1.236 122.644 121.223 0.308 0.000 2.330 252 L HA 0.789 5.112 4.340 -0.027 0.000 0.271 252 L C -0.003 177.069 176.870 0.337 0.000 1.013 252 L CA -0.976 54.054 54.840 0.317 0.000 0.816 252 L CB 1.426 nan 42.059 nan 0.000 1.287 252 L HN 0.552 nan 8.230 nan 0.000 0.435 253 N N 0.096 118.991 118.700 0.324 0.000 2.476 253 N HA 0.333 5.056 4.740 -0.027 0.000 0.276 253 N C -0.403 175.355 175.510 0.413 0.000 1.204 253 N CA -0.527 52.718 53.050 0.325 0.000 0.974 253 N CB 1.482 40.082 38.487 0.188 0.000 1.204 253 N HN 0.893 nan 8.380 nan 0.000 0.543 254 E N 0.863 121.208 120.200 0.242 0.000 2.442 254 E HA -0.106 4.228 4.350 -0.027 0.000 0.262 254 E C -0.550 176.035 176.600 -0.025 0.000 1.004 254 E CA 0.367 56.740 56.400 -0.045 0.000 0.928 254 E CB 0.216 29.872 29.700 -0.075 0.000 0.937 254 E HN 0.371 nan 8.360 nan 0.000 0.446 255 E N 1.510 121.638 120.200 -0.119 0.000 2.596 255 E HA -0.182 4.152 4.350 -0.027 0.000 0.272 255 E C -0.845 175.761 176.600 0.010 0.000 1.039 255 E CA 0.524 56.891 56.400 -0.056 0.000 0.804 255 E CB -1.297 28.382 29.700 -0.034 0.000 1.373 255 E HN 0.556 nan 8.360 nan 0.000 0.404 256 Q N -0.214 119.624 119.800 0.063 0.000 2.348 256 Q HA 0.585 4.908 4.340 -0.027 0.000 0.271 256 Q C -0.027 175.984 176.000 0.018 0.000 1.067 256 Q CA -0.321 55.529 55.803 0.078 0.000 0.839 256 Q CB 2.226 31.057 28.738 0.156 0.000 1.354 256 Q HN 0.027 nan 8.270 nan 0.000 0.447 257 T N 1.697 116.231 114.554 -0.033 0.000 2.861 257 T HA 0.614 4.948 4.350 -0.027 0.000 0.287 257 T C -0.538 174.039 174.700 -0.205 0.000 1.003 257 T CA -0.499 61.511 62.100 -0.150 0.000 0.977 257 T CB 0.790 69.532 68.868 -0.210 0.000 0.996 257 T HN 0.275 nan 8.240 nan 0.000 0.448 258 L N 3.236 124.243 121.223 -0.360 0.000 2.325 258 L HA 0.570 4.894 4.340 -0.027 0.000 0.281 258 L C -1.103 175.238 176.870 -0.882 0.000 1.004 258 L CA -0.798 53.709 54.840 -0.555 0.000 0.823 258 L CB 1.196 42.827 42.059 -0.715 0.000 1.236 258 L HN 0.570 nan 8.230 nan 0.000 0.415 259 F N 2.878 122.517 119.950 -0.519 0.000 2.385 259 F HA 0.363 4.873 4.527 -0.028 0.000 0.360 259 F C 0.069 175.588 175.800 -0.470 0.000 1.122 259 F CA -0.208 57.535 58.000 -0.429 0.000 1.090 259 F CB 0.810 39.754 39.000 -0.093 0.000 1.150 259 F HN 0.238 nan 8.300 nan 0.000 0.472 260 F N 3.579 123.472 119.950 -0.095 0.000 2.567 260 F HA 0.279 4.789 4.527 -0.028 0.000 0.352 260 F C 0.928 176.704 175.800 -0.041 0.000 1.229 260 F CA -0.277 57.538 58.000 -0.308 0.000 1.228 260 F CB -0.523 38.046 39.000 -0.717 0.000 1.568 260 F HN 0.710 nan 8.300 nan 0.000 0.634 261 S N 1.079 116.913 115.700 0.224 0.000 3.251 261 S HA -0.249 4.205 4.470 -0.027 0.000 0.633 261 S C 1.150 175.903 174.600 0.255 0.000 2.788 261 S CA 0.060 58.429 58.200 0.282 0.000 3.086 261 S CB -1.223 62.088 63.200 0.185 0.000 0.327 261 S HN 0.960 nan 8.310 nan 0.000 1.718 262 G N -0.012 108.894 108.800 0.176 0.000 3.314 262 G HA2 0.548 4.492 3.960 -0.027 0.000 0.238 262 G HA3 0.548 4.492 3.960 -0.027 0.000 0.238 262 G C 0.960 176.037 174.900 0.296 0.000 1.184 262 G CA 0.367 45.584 45.100 0.196 0.000 0.806 262 G HN 0.654 nan 8.290 nan 0.000 0.536 263 L N -0.608 120.776 121.223 0.269 0.000 2.408 263 L HA 0.487 4.811 4.340 -0.027 0.000 0.215 263 L C 1.157 178.202 176.870 0.290 0.000 1.081 263 L CA 0.444 55.447 54.840 0.271 0.000 0.840 263 L CB 0.201 42.410 42.059 0.250 0.000 1.002 263 L HN 0.222 nan 8.230 nan 0.000 0.468 264 A N -0.073 122.908 122.820 0.268 0.000 2.606 264 A HA 0.712 5.016 4.320 -0.027 0.000 0.293 264 A C -1.203 176.407 177.584 0.043 0.000 1.082 264 A CA -0.538 51.639 52.037 0.232 0.000 0.685 264 A CB 1.863 21.010 19.000 0.245 0.000 1.284 264 A HN 0.039 nan 8.150 nan 0.000 0.408 265 R N 0.589 121.090 120.500 0.002 0.000 2.686 265 R HA 0.666 4.990 4.340 -0.027 0.000 0.286 265 R C -2.232 174.065 176.300 -0.005 0.000 0.969 265 R CA -0.550 55.339 56.100 -0.353 0.000 0.898 265 R CB 1.471 31.396 30.300 -0.625 0.000 1.183 265 R HN 0.759 nan 8.270 nan 0.000 0.456 266 F N 3.758 123.465 119.950 -0.405 0.000 2.500 266 F HA 0.363 4.873 4.527 -0.028 0.000 0.349 266 F C -1.232 174.474 175.800 -0.158 0.000 1.127 266 F CA -0.713 57.237 58.000 -0.082 0.000 0.998 266 F CB 1.279 40.226 39.000 -0.089 0.000 1.237 266 F HN 0.436 nan 8.300 nan 0.000 0.439 267 D N 5.666 125.861 120.400 -0.340 0.000 2.373 267 D HA 0.075 4.699 4.640 -0.027 0.000 0.227 267 D C -1.080 175.015 176.300 -0.342 0.000 1.091 267 D CA 0.103 53.947 54.000 -0.261 0.000 0.840 267 D CB 0.982 41.726 40.800 -0.093 0.000 1.060 267 D HN 0.600 nan 8.370 nan 0.000 0.502 268 Y N 3.069 123.151 120.300 -0.362 0.000 2.650 268 Y HA 0.216 4.749 4.550 -0.028 0.000 0.343 268 Y C 0.905 176.752 175.900 -0.088 0.000 1.078 268 Y CA -0.292 57.662 58.100 -0.243 0.000 1.356 268 Y CB 0.695 39.054 38.460 -0.168 0.000 1.204 268 Y HN 0.231 nan 8.280 nan 0.000 0.508 269 V N 3.810 123.534 119.914 -0.316 0.000 2.599 269 V HA 0.112 4.215 4.120 -0.027 0.000 0.245 269 V C 0.223 176.104 176.094 -0.354 0.000 1.046 269 V CA 1.341 63.476 62.300 -0.274 0.000 1.065 269 V CB 0.234 31.968 31.823 -0.149 0.000 0.703 269 V HN 0.660 nan 8.190 nan 0.000 0.464 270 S N -1.306 114.133 115.700 -0.434 0.000 2.536 270 S HA 0.695 5.149 4.470 -0.027 0.000 0.271 270 S C 0.052 174.495 174.600 -0.262 0.000 1.134 270 S CA 0.083 58.100 58.200 -0.305 0.000 0.897 270 S CB 1.791 64.915 63.200 -0.127 0.000 1.094 270 S HN 0.801 nan 8.310 nan 0.000 0.473 271 G N 0.735 109.469 108.800 -0.110 0.000 2.240 271 G HA2 0.418 4.362 3.960 -0.027 0.000 0.181 271 G HA3 0.418 4.362 3.960 -0.027 0.000 0.181 271 G C 0.701 175.726 174.900 0.208 0.000 1.028 271 G CA 0.361 45.528 45.100 0.112 0.000 0.760 271 G HN 1.757 nan 8.290 nan 0.000 0.508 272 G N 0.215 109.090 108.800 0.126 0.000 2.527 272 G HA2 -0.125 3.818 3.960 -0.027 0.000 0.268 272 G HA3 -0.125 3.818 3.960 -0.027 0.000 0.268 272 G C 0.120 175.198 174.900 0.296 0.000 1.175 272 G CA 0.826 46.023 45.100 0.162 0.000 0.962 272 G HN 1.280 nan 8.290 nan 0.000 0.560 273 R N 0.960 121.594 120.500 0.224 0.000 2.338 273 R HA 0.702 5.025 4.340 -0.027 0.000 0.317 273 R C 0.289 176.665 176.300 0.127 0.000 0.968 273 R CA -0.522 55.705 56.100 0.213 0.000 0.849 273 R CB 0.591 30.971 30.300 0.132 0.000 1.128 273 R HN 0.665 nan 8.270 nan 0.000 0.448 274 R N 2.010 122.543 120.500 0.054 0.000 2.855 274 R HA 0.595 4.918 4.340 -0.027 0.000 0.266 274 R C -1.340 174.762 176.300 -0.330 0.000 1.034 274 R CA -1.076 54.884 56.100 -0.233 0.000 0.944 274 R CB 2.179 32.149 30.300 -0.551 0.000 1.219 274 R HN 0.627 nan 8.270 nan 0.000 0.474 275 A N 1.300 123.833 122.820 -0.479 0.000 2.317 275 A HA 0.766 5.069 4.320 -0.027 0.000 0.327 275 A C -1.265 175.943 177.584 -0.628 0.000 1.178 275 A CA -0.358 51.480 52.037 -0.332 0.000 0.817 275 A CB 0.396 19.299 19.000 -0.161 0.000 1.189 275 A HN 0.487 nan 8.150 nan 0.000 0.489 276 F N 0.676 120.644 119.950 0.029 0.000 2.536 276 F HA 0.397 4.907 4.527 -0.027 0.000 0.322 276 F C 0.343 176.174 175.800 0.051 0.000 1.144 276 F CA -0.286 57.723 58.000 0.016 0.000 0.924 276 F CB 2.602 41.570 39.000 -0.053 0.000 1.181 276 F HN 0.419 nan 8.300 nan 0.000 0.438 277 T N 2.636 117.287 114.554 0.160 0.000 2.733 277 T HA 0.382 4.715 4.350 -0.027 0.000 0.294 277 T C -0.283 174.360 174.700 -0.094 0.000 0.956 277 T CA -0.528 61.586 62.100 0.024 0.000 0.987 277 T CB 0.011 68.895 68.868 0.028 0.000 0.920 277 T HN 0.729 nan 8.240 nan 0.000 0.470 278 C N 3.622 122.824 119.300 -0.163 0.000 2.341 278 C HA 0.735 5.178 4.460 -0.027 0.000 0.338 278 C C -0.367 174.251 174.990 -0.620 0.000 1.257 278 C CA -1.074 57.834 59.018 -0.184 0.000 1.883 278 C CB -0.720 27.133 27.740 0.189 0.000 2.334 278 C HN 0.920 nan 8.230 nan 0.000 0.524 279 H N 2.104 120.695 119.070 -0.798 0.000 2.887 279 H HA 0.710 5.249 4.556 -0.028 0.000 0.300 279 H C -0.837 173.799 175.328 -1.153 0.000 1.038 279 H CA -0.078 55.328 56.048 -1.070 0.000 1.352 279 H CB 0.473 28.978 29.762 -2.095 0.000 1.473 279 H HN 0.689 nan 8.280 nan 0.000 0.503 280 F N -0.520 119.229 119.950 -0.334 0.000 2.692 280 F HA 0.384 4.894 4.527 -0.028 0.000 0.320 280 F C 0.628 176.333 175.800 -0.159 0.000 1.123 280 F CA -1.197 56.666 58.000 -0.229 0.000 0.961 280 F CB 1.494 40.351 39.000 -0.238 0.000 1.383 280 F HN 0.294 nan 8.300 nan 0.000 0.483 281 S N 1.432 117.194 115.700 0.102 0.000 2.560 281 S HA -0.006 4.448 4.470 -0.027 0.000 0.284 281 S C 1.124 175.743 174.600 0.031 0.000 1.327 281 S CA -0.298 57.919 58.200 0.027 0.000 1.055 281 S CB 0.193 63.414 63.200 0.034 0.000 0.868 281 S HN 0.734 nan 8.310 nan 0.000 0.506 282 N N 4.996 123.698 118.700 0.003 0.000 2.453 282 N HA -0.100 4.624 4.740 -0.027 0.000 0.183 282 N C 1.126 176.637 175.510 0.001 0.000 1.041 282 N CA 0.827 53.876 53.050 -0.002 0.000 0.900 282 N CB -0.250 38.230 38.487 -0.011 0.000 0.961 282 N HN 0.631 nan 8.380 nan 0.000 0.443 283 R N -0.557 119.948 120.500 0.009 0.000 2.280 283 R HA 0.222 4.546 4.340 -0.027 0.000 0.195 283 R C 0.059 176.369 176.300 0.016 0.000 0.935 283 R CA -0.389 55.718 56.100 0.011 0.000 1.033 283 R CB 0.117 30.427 30.300 0.016 0.000 0.964 283 R HN 0.135 nan 8.270 nan 0.000 0.489 284 L N 1.392 122.628 121.223 0.022 0.000 2.331 284 L HA 0.134 4.458 4.340 -0.027 0.000 0.278 284 L C -0.453 176.400 176.870 -0.028 0.000 1.106 284 L CA 0.541 55.392 54.840 0.018 0.000 0.824 284 L CB 1.518 43.599 42.059 0.037 0.000 1.142 284 L HN -0.113 nan 8.230 nan 0.000 0.443 285 T N 6.503 121.025 114.554 -0.053 0.000 2.767 285 T HA 0.491 4.825 4.350 -0.027 0.000 0.288 285 T C 0.043 174.552 174.700 -0.319 0.000 0.963 285 T CA -0.088 61.902 62.100 -0.183 0.000 1.019 285 T CB 0.344 69.091 68.868 -0.202 0.000 0.923 285 T HN 0.373 nan 8.240 nan 0.000 0.468 286 I N 4.534 124.928 120.570 -0.294 0.000 2.321 286 I HA 0.258 4.411 4.170 -0.027 0.000 0.291 286 I C 0.275 176.210 176.117 -0.303 0.000 0.998 286 I CA -0.808 60.359 61.300 -0.221 0.000 1.227 286 I CB 0.679 38.669 38.000 -0.017 0.000 1.368 286 I HN 0.535 nan 8.210 nan 0.000 0.466 287 H N 6.596 125.665 119.070 -0.001 0.000 2.488 287 H HA 0.411 4.950 4.556 -0.028 0.000 0.322 287 H C -0.545 174.805 175.328 0.036 0.000 1.078 287 H CA -0.673 55.394 56.048 0.032 0.000 1.260 287 H CB 1.732 31.510 29.762 0.026 0.000 1.425 287 H HN 0.471 nan 8.280 nan 0.000 0.471 288 R N 2.444 123.028 120.500 0.139 0.000 2.343 288 R HA 0.328 4.651 4.340 -0.027 0.000 0.320 288 R C -0.775 175.590 176.300 0.108 0.000 0.956 288 R CA -0.386 55.766 56.100 0.087 0.000 0.836 288 R CB 0.819 31.191 30.300 0.119 0.000 1.151 288 R HN 0.849 nan 8.270 nan 0.000 0.450 289 T N 0.205 114.817 114.554 0.098 0.000 2.838 289 T HA 0.415 4.749 4.350 -0.027 0.000 0.292 289 T C -0.617 174.122 174.700 0.065 0.000 1.113 289 T CA -1.133 61.023 62.100 0.094 0.000 1.008 289 T CB 1.484 70.434 68.868 0.137 0.000 1.259 289 T HN 0.398 nan 8.240 nan 0.000 0.520 290 K N 0.583 121.018 120.400 0.059 0.000 2.237 290 K HA 0.288 4.591 4.320 -0.027 0.000 0.270 290 K C 1.001 177.620 176.600 0.032 0.000 1.015 290 K CA -0.704 55.610 56.287 0.044 0.000 0.949 290 K CB 0.962 33.486 32.500 0.039 0.000 0.976 290 K HN 0.459 nan 8.250 nan 0.000 0.472 291 L N 2.538 123.767 121.223 0.010 0.000 2.043 291 L HA -0.227 4.097 4.340 -0.027 0.000 0.212 291 L C 1.835 178.706 176.870 0.001 0.000 1.075 291 L CA 2.016 56.848 54.840 -0.013 0.000 0.752 291 L CB -0.357 41.684 42.059 -0.030 0.000 0.891 291 L HN 0.692 nan 8.230 nan 0.000 0.432 292 E N -0.957 119.249 120.200 0.010 0.000 2.418 292 E HA -0.106 4.228 4.350 -0.027 0.000 0.197 292 E C 1.678 178.295 176.600 0.028 0.000 1.026 292 E CA 0.625 57.033 56.400 0.014 0.000 0.862 292 E CB 0.062 29.768 29.700 0.011 0.000 0.799 292 E HN 0.327 nan 8.360 nan 0.000 0.518 293 K N -1.007 119.418 120.400 0.042 0.000 2.354 293 K HA 0.254 4.557 4.320 -0.027 0.000 0.194 293 K C 1.687 178.343 176.600 0.093 0.000 1.045 293 K CA 0.646 56.966 56.287 0.056 0.000 1.026 293 K CB 0.464 32.994 32.500 0.050 0.000 0.866 293 K HN 0.113 nan 8.250 nan 0.000 0.530 294 A N 2.193 125.086 122.820 0.122 0.000 1.883 294 A HA -0.198 4.105 4.320 -0.027 0.000 0.217 294 A C 1.651 179.381 177.584 0.242 0.000 1.186 294 A CA 1.879 54.072 52.037 0.260 0.000 0.624 294 A CB -0.347 18.729 19.000 0.126 0.000 0.822 294 A HN 0.165 nan 8.150 nan 0.000 0.444 295 D N -0.741 119.728 120.400 0.116 0.000 2.144 295 D HA -0.165 4.458 4.640 -0.027 0.000 0.199 295 D C 1.878 178.242 176.300 0.106 0.000 0.984 295 D CA 1.505 55.562 54.000 0.095 0.000 0.834 295 D CB -0.345 40.480 40.800 0.041 0.000 0.955 295 D HN 0.750 nan 8.370 nan 0.000 0.465 296 E N 0.061 120.308 120.200 0.078 0.000 2.072 296 E HA -0.144 4.189 4.350 -0.027 0.000 0.191 296 E C 2.144 178.779 176.600 0.058 0.000 0.985 296 E CA 0.273 56.707 56.400 0.056 0.000 0.801 296 E CB -0.005 29.722 29.700 0.045 0.000 0.750 296 E HN 0.065 nan 8.360 nan 0.000 0.452 297 L N 0.289 121.548 121.223 0.060 0.000 2.093 297 L HA -0.165 4.158 4.340 -0.027 0.000 0.208 297 L C 2.178 179.014 176.870 -0.057 0.000 1.085 297 L CA 1.695 56.549 54.840 0.023 0.000 0.755 297 L CB -0.655 41.343 42.059 -0.101 0.000 0.904 297 L HN 0.238 nan 8.230 nan 0.000 0.435 298 Y N 0.098 120.270 120.300 -0.213 0.000 2.314 298 Y HA -0.143 4.390 4.550 -0.028 0.000 0.293 298 Y C 2.250 178.073 175.900 -0.128 0.000 1.129 298 Y CA 1.560 59.520 58.100 -0.233 0.000 1.201 298 Y CB -0.017 38.374 38.460 -0.115 0.000 0.999 298 Y HN 0.151 nan 8.280 nan 0.000 0.541 299 K N -0.266 120.124 120.400 -0.018 0.000 2.366 299 K HA -0.041 4.263 4.320 -0.027 0.000 0.198 299 K C 0.819 177.309 176.600 -0.182 0.000 1.044 299 K CA 1.392 57.629 56.287 -0.082 0.000 0.973 299 K CB -0.060 32.438 32.500 -0.003 0.000 0.767 299 K HN 0.494 nan 8.250 nan 0.000 0.475 300 N N -1.309 117.247 118.700 -0.239 0.000 2.360 300 N HA 0.055 4.778 4.740 -0.027 0.000 0.211 300 N C 0.753 175.896 175.510 -0.611 0.000 1.147 300 N CA 0.020 52.822 53.050 -0.414 0.000 0.866 300 N CB 0.649 38.850 38.487 -0.477 0.000 1.206 300 N HN 0.109 nan 8.380 nan 0.000 0.478 301 H N -0.261 118.674 119.070 -0.225 0.000 2.893 301 H HA 0.396 4.935 4.556 -0.028 0.000 0.270 301 H C -0.040 175.111 175.328 -0.296 0.000 1.095 301 H CA -0.206 55.700 56.048 -0.236 0.000 1.186 301 H CB 0.637 30.260 29.762 -0.233 0.000 1.562 301 H HN 0.079 nan 8.280 nan 0.000 0.536 302 A N 0.775 123.406 122.820 -0.315 0.000 2.454 302 A HA 0.458 4.761 4.320 -0.027 0.000 0.260 302 A C 1.453 178.891 177.584 -0.244 0.000 1.106 302 A CA 0.786 52.596 52.037 -0.377 0.000 0.780 302 A CB -0.180 18.371 19.000 -0.749 0.000 1.044 302 A HN 0.549 nan 8.150 nan 0.000 0.498 303 G N 1.697 110.403 108.800 -0.157 0.000 2.213 303 G HA2 -0.241 3.702 3.960 -0.027 0.000 0.226 303 G HA3 -0.241 3.702 3.960 -0.027 0.000 0.226 303 G C 0.509 175.369 174.900 -0.067 0.000 0.992 303 G CA 0.971 46.013 45.100 -0.096 0.000 0.632 303 G HN 0.838 nan 8.290 nan 0.000 0.511 304 D N -0.792 119.564 120.400 -0.073 0.000 3.137 304 D HA 0.308 4.931 4.640 -0.027 0.000 0.236 304 D C 2.153 178.434 176.300 -0.032 0.000 1.557 304 D CA 0.795 54.772 54.000 -0.038 0.000 1.305 304 D CB -0.418 40.368 40.800 -0.023 0.000 1.065 304 D HN 0.291 nan 8.370 nan 0.000 0.290 305 L N 0.451 121.645 121.223 -0.047 0.000 2.023 305 L HA 0.237 4.560 4.340 -0.027 0.000 0.205 305 L C 0.514 177.283 176.870 -0.168 0.000 1.073 305 L CA 1.313 56.099 54.840 -0.090 0.000 0.745 305 L CB -0.468 41.490 42.059 -0.168 0.000 0.900 305 L HN 0.085 nan 8.230 nan 0.000 0.435 306 L N 0.705 121.756 121.223 -0.287 0.000 2.391 306 L HA 0.302 4.626 4.340 -0.027 0.000 0.249 306 L C 0.035 176.851 176.870 -0.090 0.000 1.308 306 L CA 0.518 55.170 54.840 -0.313 0.000 1.209 306 L CB -0.960 40.838 42.059 -0.436 0.000 1.401 306 L HN 0.185 nan 8.230 nan 0.000 0.416 307 S N 1.931 117.634 115.700 0.005 0.000 2.547 307 S HA 0.738 5.191 4.470 -0.027 0.000 0.281 307 S C -2.628 172.018 174.600 0.075 0.000 1.118 307 S CA -1.266 56.952 58.200 0.031 0.000 0.947 307 S CB 1.504 64.708 63.200 0.007 0.000 1.053 307 S HN 0.186 nan 8.310 nan 0.000 0.482 308 P HA 0.252 nan 4.420 nan 0.000 0.267 308 P C -2.762 174.591 177.300 0.089 0.000 1.200 308 P CA -0.915 62.231 63.100 0.078 0.000 0.772 308 P CB -0.425 31.332 31.700 0.095 0.000 0.855 309 P HA 0.113 nan 4.420 nan 0.000 0.281 309 P C -0.082 177.231 177.300 0.022 0.000 1.264 309 P CA -0.180 62.956 63.100 0.060 0.000 0.824 309 P CB 0.383 32.125 31.700 0.070 0.000 1.092 310 T N -2.525 112.042 114.554 0.021 0.000 2.788 310 T HA 0.235 4.568 4.350 -0.027 0.000 0.287 310 T C -1.794 172.899 174.700 -0.012 0.000 1.007 310 T CA -1.526 60.576 62.100 0.003 0.000 1.005 310 T CB -0.533 68.341 68.868 0.009 0.000 1.012 310 T HN 0.181 nan 8.240 nan 0.000 0.530 311 P HA -0.004 nan 4.420 nan 0.000 0.216 311 P C 1.802 179.090 177.300 -0.020 0.000 1.150 311 P CA 1.892 64.971 63.100 -0.034 0.000 0.837 311 P CB -0.295 31.384 31.700 -0.035 0.000 0.786 312 E N 0.508 120.703 120.200 -0.009 0.000 2.106 312 E HA -0.217 4.116 4.350 -0.027 0.000 0.192 312 E C 1.841 178.447 176.600 0.010 0.000 0.984 312 E CA 1.336 57.736 56.400 -0.000 0.000 0.806 312 E CB -1.461 28.241 29.700 0.002 0.000 0.750 312 E HN 0.452 nan 8.360 nan 0.000 0.458 313 E N -0.552 119.658 120.200 0.017 0.000 2.208 313 E HA 0.064 4.397 4.350 -0.027 0.000 0.193 313 E C 2.167 178.786 176.600 0.031 0.000 0.988 313 E CA 0.660 57.082 56.400 0.037 0.000 0.828 313 E CB -0.022 29.710 29.700 0.053 0.000 0.763 313 E HN 0.518 nan 8.360 nan 0.000 0.478 314 L N 1.040 122.268 121.223 0.007 0.000 2.093 314 L HA -0.169 4.155 4.340 -0.027 0.000 0.208 314 L C 2.540 179.406 176.870 -0.007 0.000 1.085 314 L CA 1.835 56.670 54.840 -0.008 0.000 0.755 314 L CB -0.179 41.852 42.059 -0.047 0.000 0.904 314 L HN 0.140 nan 8.230 nan 0.000 0.435 315 E N 0.023 120.220 120.200 -0.005 0.000 2.107 315 E HA -0.067 4.266 4.350 -0.027 0.000 0.191 315 E C 0.928 177.534 176.600 0.011 0.000 0.982 315 E CA 1.082 57.481 56.400 -0.001 0.000 0.809 315 E CB -0.547 29.151 29.700 -0.003 0.000 0.756 315 E HN 0.564 nan 8.360 nan 0.000 0.459 319 E N 1.005 121.213 120.200 0.014 0.000 2.392 319 E HA 0.180 4.514 4.350 -0.027 0.000 0.264 319 E C -0.315 176.330 176.600 0.075 0.000 1.024 319 E CA -0.531 55.903 56.400 0.057 0.000 0.903 319 E CB 0.621 30.355 29.700 0.057 0.000 0.963 319 E HN 0.526 nan 8.360 nan 0.000 0.432 320 L N 4.774 126.059 121.223 0.103 0.000 2.477 320 L HA 0.145 4.469 4.340 -0.027 0.000 0.272 320 L C -1.152 175.772 176.870 0.089 0.000 1.157 320 L CA -0.353 54.551 54.840 0.106 0.000 0.889 320 L CB 0.508 42.591 42.059 0.040 0.000 1.158 320 L HN 0.244 nan 8.230 nan 0.000 0.473 321 V N 4.150 124.121 119.914 0.096 0.000 2.667 321 V HA 0.638 4.742 4.120 -0.027 0.000 0.308 321 V C 0.447 176.463 176.094 -0.129 0.000 1.048 321 V CA -0.515 61.768 62.300 -0.029 0.000 0.928 321 V CB 1.384 33.161 31.823 -0.077 0.000 1.004 321 V HN 0.855 nan 8.190 nan 0.000 0.444 322 K N 2.261 122.467 120.400 -0.324 0.000 2.098 322 K HA 0.778 5.082 4.320 -0.027 0.000 0.258 322 K C -1.359 174.821 176.600 -0.699 0.000 0.973 322 K CA -0.352 55.621 56.287 -0.524 0.000 0.898 322 K CB 1.006 33.206 32.500 -0.500 0.000 1.057 322 K HN 0.647 nan 8.250 nan 0.000 0.447 323 Y N 0.339 120.456 120.300 -0.306 0.000 2.470 323 Y HA 0.336 4.870 4.550 -0.028 0.000 0.341 323 Y C -0.059 175.509 175.900 -0.554 0.000 1.021 323 Y CA -0.828 57.047 58.100 -0.375 0.000 1.025 323 Y CB 2.564 40.851 38.460 -0.288 0.000 1.266 323 Y HN 0.718 nan 8.280 nan 0.000 0.448 324 E N 3.014 122.905 120.200 -0.516 0.000 2.191 324 E HA 0.615 4.948 4.350 -0.027 0.000 0.274 324 E C -1.633 174.536 176.600 -0.719 0.000 0.948 324 E CA -0.709 55.416 56.400 -0.458 0.000 0.802 324 E CB 1.762 31.317 29.700 -0.242 0.000 1.137 324 E HN 0.350 nan 8.360 nan 0.000 0.397 325 F N 1.743 121.696 119.950 0.005 0.000 2.578 325 F HA 0.312 4.822 4.527 -0.028 0.000 0.311 325 F C -0.256 175.563 175.800 0.032 0.000 1.094 325 F CA -1.258 56.755 58.000 0.022 0.000 0.923 325 F CB 1.531 40.548 39.000 0.029 0.000 1.230 325 F HN 0.297 nan 8.300 nan 0.000 0.450 326 N N 2.609 121.442 118.700 0.221 0.000 2.623 326 N HA 0.358 5.081 4.740 -0.027 0.000 0.256 326 N C -1.195 174.403 175.510 0.146 0.000 1.045 326 N CA -0.292 52.850 53.050 0.153 0.000 0.863 326 N CB 0.887 39.427 38.487 0.089 0.000 1.182 326 N HN 0.564 nan 8.380 nan 0.000 0.523 327 I N 1.424 122.089 120.570 0.159 0.000 2.533 327 I HA 0.107 4.261 4.170 -0.027 0.000 0.284 327 I C 1.047 177.222 176.117 0.097 0.000 1.109 327 I CA -0.202 61.174 61.300 0.126 0.000 1.412 327 I CB 0.794 38.879 38.000 0.142 0.000 1.396 327 I HN 0.296 nan 8.210 nan 0.000 0.543 328 R N 3.876 124.418 120.500 0.069 0.000 2.476 328 R HA 0.314 4.638 4.340 -0.027 0.000 0.276 328 R C -0.569 175.752 176.300 0.035 0.000 0.941 328 R CA 0.056 56.187 56.100 0.051 0.000 1.088 328 R CB 0.261 30.587 30.300 0.044 0.000 1.216 328 R HN 0.574 nan 8.270 nan 0.000 0.533 329 E N 0.337 120.555 120.200 0.031 0.000 2.340 329 E HA 0.343 4.676 4.350 -0.027 0.000 0.273 329 E C -2.642 173.965 176.600 0.011 0.000 0.891 329 E CA -2.334 54.075 56.400 0.014 0.000 0.757 329 E CB 2.739 32.439 29.700 0.001 0.000 1.231 329 E HN -0.110 nan 8.360 nan 0.000 0.439 330 P HA 0.034 nan 4.420 nan 0.000 0.269 330 P C -1.094 176.199 177.300 -0.012 0.000 1.215 330 P CA -0.289 62.809 63.100 -0.005 0.000 0.780 330 P CB 0.358 32.051 31.700 -0.011 0.000 0.898 331 K N -1.110 119.285 120.400 -0.009 0.000 4.868 331 K HA -0.088 4.216 4.320 -0.027 0.000 0.324 331 K C -0.629 175.959 176.600 -0.020 0.000 0.971 331 K CA 1.017 57.297 56.287 -0.012 0.000 1.034 331 K CB -2.577 29.906 32.500 -0.027 0.000 1.672 331 K HN 0.527 nan 8.250 nan 0.000 0.426 332 T N 1.526 116.084 114.554 0.006 0.000 2.881 332 T HA 0.375 4.708 4.350 -0.027 0.000 0.290 332 T C -0.741 173.975 174.700 0.026 0.000 1.000 332 T CA -1.081 61.016 62.100 -0.005 0.000 0.978 332 T CB 1.586 70.463 68.868 0.015 0.000 0.997 332 T HN 0.133 nan 8.240 nan 0.000 0.443 333 D N 1.890 122.269 120.400 -0.035 0.000 2.177 333 D HA 0.421 5.044 4.640 -0.027 0.000 0.247 333 D C -0.319 175.956 176.300 -0.041 0.000 1.063 333 D CA -0.419 53.586 54.000 0.009 0.000 0.867 333 D CB 1.871 42.592 40.800 -0.132 0.000 1.168 333 D HN 0.197 nan 8.370 nan 0.000 0.445 334 V N 2.486 122.431 119.914 0.053 0.000 2.304 334 V HA 0.152 4.256 4.120 -0.027 0.000 0.269 334 V C 0.191 176.242 176.094 -0.072 0.000 1.036 334 V CA -0.717 61.532 62.300 -0.085 0.000 0.840 334 V CB 1.189 33.096 31.823 0.140 0.000 1.036 334 V HN 0.256 nan 8.190 nan 0.000 0.466 335 V N 6.093 125.883 119.914 -0.207 0.000 2.334 335 V HA 0.365 4.469 4.120 -0.027 0.000 0.267 335 V C -0.184 175.843 176.094 -0.112 0.000 1.040 335 V CA -0.272 61.983 62.300 -0.076 0.000 0.866 335 V CB 0.476 32.221 31.823 -0.130 0.000 1.019 335 V HN 0.655 nan 8.190 nan 0.000 0.468 336 F N 3.000 123.045 119.950 0.159 0.000 2.423 336 F HA 0.271 4.781 4.527 -0.029 0.000 0.356 336 F C 1.245 177.183 175.800 0.229 0.000 1.170 336 F CA 0.107 58.242 58.000 0.226 0.000 1.163 336 F CB 0.984 40.173 39.000 0.315 0.000 1.318 336 F HN 0.471 nan 8.300 nan 0.000 0.569 337 S N 2.533 118.428 115.700 0.325 0.000 2.546 337 S HA 0.327 4.781 4.470 -0.027 0.000 0.290 337 S C 1.242 176.046 174.600 0.340 0.000 1.290 337 S CA 0.857 59.244 58.200 0.312 0.000 1.069 337 S CB 0.154 63.514 63.200 0.266 0.000 0.846 337 S HN 1.150 nan 8.310 nan 0.000 0.495 338 G N 3.199 112.197 108.800 0.329 0.000 2.184 338 G HA2 -0.230 3.714 3.960 -0.027 0.000 0.264 338 G HA3 -0.230 3.714 3.960 -0.027 0.000 0.264 338 G C 0.384 175.465 174.900 0.301 0.000 0.975 338 G CA 0.598 45.877 45.100 0.298 0.000 0.642 338 G HN 0.660 nan 8.290 nan 0.000 0.536 339 L N -0.964 120.467 121.223 0.348 0.000 2.666 339 L HA 0.730 5.054 4.340 -0.027 0.000 0.184 339 L C 1.571 178.601 176.870 0.266 0.000 1.092 339 L CA 2.358 57.415 54.840 0.362 0.000 0.857 339 L CB 0.353 42.683 42.059 0.452 0.000 1.281 339 L HN 1.146 nan 8.230 nan 0.000 0.489 340 G N -2.219 106.653 108.800 0.119 0.000 2.344 340 G HA2 0.289 4.232 3.960 -0.027 0.000 0.282 340 G HA3 0.289 4.232 3.960 -0.027 0.000 0.282 340 G C -2.336 172.426 174.900 -0.231 0.000 1.281 340 G CA -0.219 44.659 45.100 -0.371 0.000 0.877 340 G HN 0.230 nan 8.290 nan 0.000 0.494 341 W N -0.697 120.118 121.300 -0.808 0.000 3.167 341 W HA 0.736 5.379 4.660 -0.029 0.000 0.324 341 W C -1.363 175.031 176.519 -0.209 0.000 1.230 341 W CA -1.436 55.712 57.345 -0.330 0.000 1.184 341 W CB 1.481 30.796 29.460 -0.242 0.000 1.414 341 W HN 0.513 nan 8.180 nan 0.000 0.551 342 V N 2.935 122.925 119.914 0.126 0.000 2.357 342 V HA 0.450 4.554 4.120 -0.027 0.000 0.284 342 V C -0.097 176.134 176.094 0.228 0.000 1.018 342 V CA -0.546 61.797 62.300 0.072 0.000 0.841 342 V CB 1.131 32.880 31.823 -0.122 0.000 0.991 342 V HN 0.635 nan 8.190 nan 0.000 0.437 343 T N 4.589 119.293 114.554 0.250 0.000 2.845 343 T HA 0.498 4.832 4.350 -0.027 0.000 0.288 343 T C -0.120 174.718 174.700 0.229 0.000 0.980 343 T CA -0.263 61.990 62.100 0.255 0.000 1.071 343 T CB 1.420 70.453 68.868 0.275 0.000 0.941 343 T HN 0.402 nan 8.240 nan 0.000 0.487 344 V N 4.653 124.679 119.914 0.186 0.000 2.326 344 V HA 0.231 4.334 4.120 -0.027 0.000 0.281 344 V C 0.704 176.806 176.094 0.013 0.000 1.015 344 V CA -0.865 61.502 62.300 0.111 0.000 0.823 344 V CB 1.167 33.140 31.823 0.250 0.000 1.009 344 V HN 0.746 nan 8.190 nan 0.000 0.436 345 N N 2.698 121.360 118.700 -0.064 0.000 2.244 345 N HA -0.044 4.679 4.740 -0.027 0.000 0.183 345 N C 0.580 176.064 175.510 -0.043 0.000 1.016 345 N CA 0.923 53.944 53.050 -0.048 0.000 0.866 345 N CB 0.334 38.782 38.487 -0.065 0.000 0.980 345 N HN 0.734 nan 8.380 nan 0.000 0.430 346 E N 0.202 120.364 120.200 -0.063 0.000 2.207 346 E HA 0.350 4.683 4.350 -0.027 0.000 0.270 346 E C -2.385 174.222 176.600 0.012 0.000 0.927 346 E CA -2.037 54.345 56.400 -0.030 0.000 0.799 346 E CB 2.035 31.709 29.700 -0.043 0.000 1.172 346 E HN 0.059 nan 8.360 nan 0.000 0.404 347 P HA 0.162 nan 4.420 nan 0.000 0.276 347 P C 0.415 177.761 177.300 0.077 0.000 1.261 347 P CA 0.054 63.187 63.100 0.055 0.000 0.800 347 P CB 0.869 32.593 31.700 0.039 0.000 1.066 348 G N -0.996 107.863 108.800 0.097 0.000 2.176 348 G HA2 -0.109 3.834 3.960 -0.027 0.000 0.232 348 G HA3 -0.109 3.834 3.960 -0.027 0.000 0.232 348 G C 0.334 175.331 174.900 0.163 0.000 0.986 348 G CA 0.066 45.231 45.100 0.108 0.000 0.643 348 G HN 0.839 nan 8.290 nan 0.000 0.522 349 A N -0.004 122.954 122.820 0.230 0.000 2.450 349 A HA 0.673 4.977 4.320 -0.027 0.000 0.255 349 A C 0.300 178.053 177.584 0.281 0.000 1.096 349 A CA 0.642 52.907 52.037 0.381 0.000 0.778 349 A CB 0.660 19.964 19.000 0.508 0.000 1.031 349 A HN 0.554 nan 8.150 nan 0.000 0.494 350 K N 2.715 123.245 120.400 0.216 0.000 2.293 350 K HA 0.640 4.943 4.320 -0.027 0.000 0.267 350 K C -1.250 175.400 176.600 0.082 0.000 1.010 350 K CA -0.009 56.342 56.287 0.106 0.000 0.875 350 K CB 0.285 32.794 32.500 0.014 0.000 1.106 350 K HN 0.579 nan 8.250 nan 0.000 0.450 351 I N 3.832 124.460 120.570 0.097 0.000 2.569 351 I HA 0.382 4.535 4.170 -0.027 0.000 0.296 351 I C -0.851 175.268 176.117 0.004 0.000 1.028 351 I CA -1.366 59.925 61.300 -0.015 0.000 1.082 351 I CB 2.306 40.287 38.000 -0.032 0.000 1.264 351 I HN 0.156 nan 8.210 nan 0.000 0.429 352 V N 5.135 124.988 119.914 -0.102 0.000 2.326 352 V HA 0.555 4.659 4.120 -0.027 0.000 0.281 352 V C 0.263 176.325 176.094 -0.053 0.000 1.015 352 V CA -0.549 61.695 62.300 -0.093 0.000 0.823 352 V CB 1.257 33.008 31.823 -0.121 0.000 1.009 352 V HN 0.816 nan 8.190 nan 0.000 0.436 353 A N 4.029 126.921 122.820 0.119 0.000 2.309 353 A HA 0.766 5.070 4.320 -0.027 0.000 0.298 353 A C -0.592 177.089 177.584 0.161 0.000 1.165 353 A CA -0.284 51.961 52.037 0.346 0.000 0.821 353 A CB 0.194 19.523 19.000 0.547 0.000 1.102 353 A HN 0.915 nan 8.150 nan 0.000 0.500 354 H N -0.137 119.140 119.070 0.346 0.000 2.489 354 H HA 0.673 5.212 4.556 -0.028 0.000 0.343 354 H C -0.609 174.935 175.328 0.360 0.000 1.086 354 H CA -0.436 55.753 56.048 0.236 0.000 1.198 354 H CB 1.813 31.590 29.762 0.024 0.000 1.490 354 H HN 0.494 nan 8.280 nan 0.000 0.504 355 V N 4.207 124.386 119.914 0.441 0.000 3.048 355 V HA 0.403 4.506 4.120 -0.027 0.000 0.303 355 V C -2.588 173.704 176.094 0.330 0.000 1.214 355 V CA -2.472 60.090 62.300 0.436 0.000 0.984 355 V CB 2.783 34.910 31.823 0.508 0.000 1.054 355 V HN 0.578 nan 8.190 nan 0.000 0.430 356 P HA 0.240 nan 4.420 nan 0.000 0.267 356 P C -0.616 176.816 177.300 0.221 0.000 1.200 356 P CA 0.158 63.368 63.100 0.184 0.000 0.772 356 P CB 0.211 31.969 31.700 0.096 0.000 0.855 357 K N 1.902 122.398 120.400 0.161 0.000 2.466 357 K HA 0.351 4.655 4.320 -0.027 0.000 0.278 357 K C 1.382 178.163 176.600 0.301 0.000 1.048 357 K CA 0.455 56.865 56.287 0.205 0.000 1.088 357 K CB -1.533 31.053 32.500 0.143 0.000 0.884 357 K HN 0.907 nan 8.250 nan 0.000 0.478 358 G N 0.482 109.493 108.800 0.352 0.000 2.376 358 G HA2 -0.197 3.746 3.960 -0.027 0.000 0.208 358 G HA3 -0.197 3.746 3.960 -0.027 0.000 0.208 358 G C 0.388 175.517 174.900 0.381 0.000 1.032 358 G CA -0.100 45.269 45.100 0.449 0.000 0.641 358 G HN 1.281 nan 8.290 nan 0.000 0.503 359 V N 2.035 122.186 119.914 0.395 0.000 2.715 359 V HA 0.554 4.658 4.120 -0.027 0.000 0.299 359 V C 1.050 177.298 176.094 0.257 0.000 1.054 359 V CA 0.622 63.134 62.300 0.353 0.000 1.077 359 V CB 1.569 33.633 31.823 0.401 0.000 0.972 359 V HN 0.652 nan 8.190 nan 0.000 0.484 360 S N 3.689 119.513 115.700 0.206 0.000 2.499 360 S HA 0.547 5.001 4.470 -0.027 0.000 0.279 360 S C -0.731 173.919 174.600 0.084 0.000 1.219 360 S CA -0.468 57.795 58.200 0.105 0.000 1.062 360 S CB 1.263 64.525 63.200 0.103 0.000 0.978 360 S HN 0.766 nan 8.310 nan 0.000 0.489 361 V N 5.368 125.250 119.914 -0.052 0.000 2.577 361 V HA 0.852 4.956 4.120 -0.027 0.000 0.303 361 V C -0.544 175.439 176.094 -0.184 0.000 1.042 361 V CA 0.068 62.269 62.300 -0.166 0.000 0.872 361 V CB 1.668 33.364 31.823 -0.211 0.000 0.998 361 V HN 1.147 nan 8.190 nan 0.000 0.423 362 S N 6.675 122.226 115.700 -0.248 0.000 2.720 362 S HA 0.783 5.236 4.470 -0.027 0.000 0.287 362 S C -1.185 173.206 174.600 -0.348 0.000 1.168 362 S CA -1.031 57.035 58.200 -0.223 0.000 0.832 362 S CB 1.742 64.905 63.200 -0.061 0.000 1.166 362 S HN 0.715 nan 8.310 nan 0.000 0.493 363 L N 1.225 122.298 121.223 -0.250 0.000 2.334 363 L HA 0.793 5.117 4.340 -0.027 0.000 0.273 363 L C 0.074 176.878 176.870 -0.109 0.000 1.013 363 L CA -0.824 53.885 54.840 -0.219 0.000 0.816 363 L CB 1.728 43.681 42.059 -0.177 0.000 1.278 363 L HN 0.970 nan 8.230 nan 0.000 0.431 364 R N 0.709 121.118 120.500 -0.150 0.000 2.734 364 R HA 0.530 4.853 4.340 -0.027 0.000 0.271 364 R C -1.547 174.643 176.300 -0.183 0.000 1.021 364 R CA -1.153 54.853 56.100 -0.158 0.000 0.893 364 R CB 1.694 31.812 30.300 -0.303 0.000 1.244 364 R HN 0.362 nan 8.270 nan 0.000 0.464 365 K N 1.214 121.512 120.400 -0.170 0.000 2.270 365 K HA 0.199 4.503 4.320 -0.027 0.000 0.276 365 K C -0.240 176.238 176.600 -0.203 0.000 1.023 365 K CA -0.312 55.885 56.287 -0.150 0.000 0.955 365 K CB 1.222 33.646 32.500 -0.127 0.000 0.975 365 K HN 0.464 nan 8.250 nan 0.000 0.471 366 S N 1.907 117.513 115.700 -0.157 0.000 2.563 366 S HA -0.012 4.441 4.470 -0.027 0.000 0.284 366 S C 1.007 175.494 174.600 -0.189 0.000 1.331 366 S CA -0.161 57.937 58.200 -0.170 0.000 1.047 366 S CB 0.208 63.361 63.200 -0.078 0.000 0.859 366 S HN 0.428 nan 8.310 nan 0.000 0.514 367 L N 2.155 123.238 121.223 -0.233 0.000 2.741 367 L HA 0.296 4.620 4.340 -0.027 0.000 0.237 367 L C -0.365 176.436 176.870 -0.115 0.000 1.178 367 L CA -0.089 54.630 54.840 -0.202 0.000 0.973 367 L CB -0.405 41.468 42.059 -0.311 0.000 1.255 367 L HN 0.448 nan 8.230 nan 0.000 0.498 368 I N 0.000 120.521 120.570 -0.081 0.000 2.984 368 I HA 0.000 4.154 4.170 -0.027 0.000 0.288 368 I CA 0.000 61.276 61.300 -0.039 0.000 1.566 368 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494