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 3lx9_1_B DATA FIRST_RESID 32 DATA SEQUENCE LDNGLARTPT MGWLHWERFM cNLDcQEEPD ScISEKLFME MAELMVSEGW DATA SEQUENCE KDAGYEYLCI DDcWMAPQRD SEGRLQADPQ RFPHGIRQLA NYVHSKGLKL DATA SEQUENCE GIYADVGNKT cAGFPGSFGY YDIDAQTFAD WGVDLLKFDG cYCDSLENLA DATA SEQUENCE DGYKHMSLAL NRTGRSIVYS cSWPAYMWPF QKPNYTEIRQ YcNHWRNFAD DATA SEQUENCE IDDSWKSIKS ILDWTSFNQE RIVDVAGPGG WNDPDMLVIG NFGLSWNQQV DATA SEQUENCE TQMALWAIMA APLFMSNDLR HISPQAKALL QDKDVIAINQ DPLGKQGYQL DATA SEQUENCE RQGDNFEVWE RPLSGLAWAV AMINRQEIGG PRSYTIAVAS LGKGVAcNPA DATA SEQUENCE cFITQLLPVK RKLGFYEWTS RLRSHINPTG TVLLQLENTM 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.904 176.870 0.057 0.000 1.165 32 L CA 0.000 54.896 54.840 0.093 0.000 0.813 32 L CB 0.000 42.169 42.059 0.184 0.000 0.961 33 D N 2.386 122.799 120.400 0.022 0.000 2.994 33 D HA 0.227 4.867 4.640 -0.000 0.000 0.240 33 D C 0.484 176.803 176.300 0.031 0.000 1.195 33 D CA 0.206 54.215 54.000 0.016 0.000 0.957 33 D CB 0.127 40.922 40.800 -0.009 0.000 1.105 33 D HN 0.588 nan 8.370 nan 0.000 0.477 34 N N 0.051 118.784 118.700 0.056 0.000 2.214 34 N HA 0.130 4.870 4.740 -0.000 0.000 0.214 34 N C 1.387 176.941 175.510 0.073 0.000 1.132 34 N CA 0.218 53.306 53.050 0.063 0.000 0.856 34 N CB 0.283 38.818 38.487 0.081 0.000 1.020 34 N HN 0.161 nan 8.380 nan 0.000 0.509 35 G N 0.052 108.894 108.800 0.070 0.000 2.189 35 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 35 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 35 G C -0.289 174.676 174.900 0.109 0.000 0.975 35 G CA 0.737 45.884 45.100 0.078 0.000 0.644 35 G HN 0.363 nan 8.290 nan 0.000 0.537 36 L N -1.069 120.233 121.223 0.131 0.000 2.332 36 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 36 L C 1.534 178.534 176.870 0.216 0.000 1.016 36 L CA -0.575 54.370 54.840 0.176 0.000 0.809 36 L CB 1.528 43.700 42.059 0.187 0.000 1.280 36 L HN 1.172 nan 8.230 nan 0.000 0.447 37 A N 0.849 123.831 122.820 0.271 0.000 2.687 37 A HA -0.175 4.145 4.320 -0.000 0.000 0.299 37 A C 1.431 179.306 177.584 0.486 0.000 1.497 37 A CA 0.487 52.765 52.037 0.402 0.000 0.751 37 A CB -1.187 18.124 19.000 0.517 0.000 1.048 37 A HN 0.764 nan 8.150 nan 0.000 0.464 38 R N -0.018 120.677 120.500 0.326 0.000 2.189 38 R HA -0.004 4.336 4.340 -0.000 0.000 0.218 38 R C 1.207 177.779 176.300 0.454 0.000 1.074 38 R CA 1.560 57.841 56.100 0.303 0.000 0.991 38 R CB -0.931 29.476 30.300 0.179 0.000 0.883 38 R HN 1.162 nan 8.270 nan 0.000 0.457 39 T N -2.250 112.514 114.554 0.350 0.000 2.926 39 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 39 T C -2.950 171.594 174.700 -0.260 0.000 1.054 39 T CA -2.643 59.516 62.100 0.098 0.000 1.015 39 T CB 2.795 71.632 68.868 -0.050 0.000 1.167 39 T HN -0.265 nan 8.240 nan 0.000 0.526 40 P HA 0.199 nan 4.420 nan 0.000 0.265 40 P C -0.128 176.841 177.300 -0.552 0.000 1.193 40 P CA -0.043 62.346 63.100 -1.185 0.000 0.765 40 P CB -0.044 30.961 31.700 -1.159 0.000 0.823 41 T N 4.462 118.742 114.554 -0.456 0.000 2.916 41 T HA 0.219 4.568 4.350 -0.000 0.000 0.303 41 T C 0.450 174.788 174.700 -0.603 0.000 1.025 41 T CA 0.328 62.211 62.100 -0.362 0.000 1.142 41 T CB -0.229 68.493 68.868 -0.243 0.000 0.947 41 T HN 0.273 nan 8.240 nan 0.000 0.544 42 M N 2.597 121.988 119.600 -0.348 0.000 2.311 42 M HA 0.630 5.110 4.480 -0.000 0.000 0.325 42 M C 0.558 176.864 176.300 0.011 0.000 1.061 42 M CA -0.417 54.681 55.300 -0.337 0.000 0.957 42 M CB 2.220 34.585 32.600 -0.393 0.000 1.646 42 M HN 0.902 nan 8.290 nan 0.000 0.434 43 G N 1.608 110.507 108.800 0.166 0.000 2.494 43 G HA2 0.454 4.414 3.960 -0.000 0.000 0.308 43 G HA3 0.454 4.414 3.960 -0.000 0.000 0.308 43 G C -2.936 172.351 174.900 0.646 0.000 1.263 43 G CA -0.644 44.791 45.100 0.560 0.000 0.840 43 G HN 0.722 nan 8.290 nan 0.000 0.479 44 W N -0.216 121.352 121.300 0.446 0.000 2.819 44 W HA 0.774 5.434 4.660 0.000 0.000 0.337 44 W C -1.733 174.998 176.519 0.354 0.000 1.077 44 W CA -0.989 56.523 57.345 0.279 0.000 1.226 44 W CB 2.121 31.631 29.460 0.084 0.000 1.419 44 W HN 0.529 nan 8.180 nan 0.000 0.502 45 L N 6.267 127.262 121.223 -0.379 0.000 2.438 45 L HA 0.273 4.613 4.340 -0.000 0.000 0.270 45 L C 1.147 177.522 176.870 -0.824 0.000 0.972 45 L CA -0.519 54.119 54.840 -0.336 0.000 0.831 45 L CB 1.236 43.172 42.059 -0.205 0.000 1.273 45 L HN 0.747 nan 8.230 nan 0.000 0.405 46 H N 3.574 122.363 119.070 -0.469 0.000 2.495 46 H HA -0.115 4.441 4.556 0.000 0.000 0.287 46 H C 1.273 176.615 175.328 0.022 0.000 1.033 46 H CA 1.006 56.849 56.048 -0.340 0.000 1.307 46 H CB -0.010 29.879 29.762 0.212 0.000 1.401 46 H HN 0.837 nan 8.280 nan 0.000 0.555 47 W N 2.496 123.473 121.300 -0.538 0.000 2.332 47 W HA -0.204 4.456 4.660 -0.000 0.000 0.321 47 W C 2.213 178.671 176.519 -0.102 0.000 1.219 47 W CA 1.856 58.973 57.345 -0.380 0.000 1.277 47 W CB -0.108 29.155 29.460 -0.328 0.000 1.161 47 W HN 0.270 nan 8.180 nan 0.000 0.476 48 E N 0.856 120.967 120.200 -0.148 0.000 2.058 48 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 48 E C 2.141 178.582 176.600 -0.264 0.000 0.997 48 E CA 1.687 57.959 56.400 -0.213 0.000 0.801 48 E CB -0.335 29.321 29.700 -0.073 0.000 0.746 48 E HN 0.106 nan 8.360 nan 0.000 0.450 49 R N -0.764 119.602 120.500 -0.223 0.000 2.075 49 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 49 R C 2.008 178.020 176.300 -0.480 0.000 1.114 49 R CA 1.369 57.264 56.100 -0.341 0.000 0.972 49 R CB -0.573 29.481 30.300 -0.411 0.000 0.869 49 R HN 0.167 nan 8.270 nan 0.000 0.437 50 F N -0.572 119.354 119.950 -0.040 0.000 2.694 50 F HA 0.359 4.886 4.527 -0.000 0.000 0.292 50 F C 1.115 176.870 175.800 -0.076 0.000 1.121 50 F CA 0.198 58.203 58.000 0.008 0.000 1.352 50 F CB 0.120 39.183 39.000 0.105 0.000 1.107 50 F HN -0.136 nan 8.300 nan 0.000 0.597 51 M N -1.164 118.336 119.600 -0.167 0.000 7.319 51 M HA -0.406 4.074 4.480 -0.000 0.000 0.116 51 M C 0.379 176.568 176.300 -0.185 0.000 0.480 51 M CA 1.426 56.249 55.300 -0.795 0.000 1.311 51 M CB -1.476 30.721 32.600 -0.672 0.000 0.421 51 M HN 0.157 nan 8.290 nan 0.000 0.290 52 c N 2.539 121.087 118.600 -0.087 0.000 2.508 52 c HA 0.361 4.931 4.570 -0.000 0.000 0.330 52 c C 0.181 174.374 174.090 0.171 0.000 1.435 52 c CA -0.497 55.982 56.329 0.249 0.000 1.712 52 c CB -1.847 40.903 42.510 0.399 0.000 2.741 52 c HN 0.476 nan 8.230 nan 0.000 0.562 53 N N 1.494 120.269 118.700 0.125 0.000 2.402 53 N HA 0.208 4.947 4.740 -0.000 0.000 0.252 53 N C 0.589 176.161 175.510 0.102 0.000 1.118 53 N CA 0.058 53.166 53.050 0.096 0.000 0.945 53 N CB 0.446 38.985 38.487 0.086 0.000 1.147 53 N HN 0.618 nan 8.380 nan 0.000 0.495 54 L N 0.980 122.269 121.223 0.110 0.000 2.607 54 L HA 0.222 4.562 4.340 -0.000 0.000 0.228 54 L C 0.433 177.345 176.870 0.070 0.000 1.123 54 L CA 0.005 54.910 54.840 0.107 0.000 0.890 54 L CB 0.027 42.176 42.059 0.150 0.000 1.103 54 L HN 0.344 nan 8.230 nan 0.000 0.468 55 D N -0.137 120.295 120.400 0.053 0.000 2.563 55 D HA 0.109 4.749 4.640 -0.000 0.000 0.222 55 D C 0.878 177.190 176.300 0.020 0.000 1.145 55 D CA -0.163 53.858 54.000 0.035 0.000 1.001 55 D CB 0.529 41.347 40.800 0.030 0.000 1.049 55 D HN 0.112 nan 8.370 nan 0.000 0.515 56 c N 1.974 120.581 118.600 0.011 0.000 2.500 56 c HA 0.012 4.581 4.570 -0.000 0.000 0.273 56 c C 2.432 176.518 174.090 -0.006 0.000 1.428 56 c CA -0.253 56.072 56.329 -0.007 0.000 1.766 56 c CB -0.280 42.216 42.510 -0.023 0.000 1.817 56 c HN 0.594 nan 8.230 nan 0.000 0.543 57 Q N 1.189 120.990 119.800 0.001 0.000 1.967 57 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 57 Q C 2.117 178.117 176.000 -0.000 0.000 0.985 57 Q CA 1.596 57.399 55.803 0.000 0.000 0.839 57 Q CB -0.261 28.479 28.738 0.005 0.000 0.906 57 Q HN 0.650 nan 8.270 nan 0.000 0.423 58 E N 0.326 120.528 120.200 0.003 0.000 2.170 58 E HA -0.022 4.327 4.350 -0.000 0.000 0.191 58 E C 0.146 176.747 176.600 0.002 0.000 0.981 58 E CA 0.553 56.954 56.400 0.001 0.000 0.830 58 E CB 0.296 29.998 29.700 0.002 0.000 0.775 58 E HN 0.423 nan 8.360 nan 0.000 0.470 59 E N 0.910 121.113 120.200 0.006 0.000 3.651 59 E HA 0.120 4.470 4.350 -0.000 0.000 0.220 59 E C -2.053 174.551 176.600 0.006 0.000 1.222 59 E CA -1.209 55.197 56.400 0.011 0.000 1.114 59 E CB 1.265 30.978 29.700 0.021 0.000 1.278 59 E HN 0.005 nan 8.360 nan 0.000 0.412 60 P HA -0.120 nan 4.420 nan 0.000 0.223 60 P C 0.426 177.704 177.300 -0.036 0.000 1.151 60 P CA 0.968 64.053 63.100 -0.026 0.000 0.787 60 P CB 0.431 32.115 31.700 -0.027 0.000 0.788 61 D N -0.720 119.675 120.400 -0.008 0.000 2.349 61 D HA -0.007 4.633 4.640 -0.000 0.000 0.215 61 D C 1.598 177.914 176.300 0.027 0.000 1.016 61 D CA 0.880 54.879 54.000 -0.002 0.000 0.870 61 D CB 0.142 40.964 40.800 0.036 0.000 0.917 61 D HN 0.314 nan 8.370 nan 0.000 0.524 62 S N -0.716 115.020 115.700 0.060 0.000 2.687 62 S HA 0.045 4.515 4.470 -0.000 0.000 0.247 62 S C 1.030 175.694 174.600 0.107 0.000 1.050 62 S CA -0.571 57.739 58.200 0.184 0.000 1.063 62 S CB -0.706 62.662 63.200 0.281 0.000 1.039 62 S HN 0.288 nan 8.310 nan 0.000 0.580 63 c N 2.197 120.800 118.600 0.006 0.000 2.656 63 c HA 0.647 5.217 4.570 -0.000 0.000 0.391 63 c C 0.702 174.735 174.090 -0.095 0.000 1.300 63 c CA -1.194 55.130 56.329 -0.009 0.000 2.302 63 c CB -0.832 41.672 42.510 -0.011 0.000 2.655 63 c HN 0.451 nan 8.230 nan 0.000 0.656 64 I N 4.330 124.875 120.570 -0.043 0.000 2.372 64 I HA 0.270 4.440 4.170 -0.000 0.000 0.298 64 I C 0.850 176.944 176.117 -0.039 0.000 1.137 64 I CA 1.047 62.319 61.300 -0.046 0.000 1.314 64 I CB -1.141 36.904 38.000 0.075 0.000 1.444 64 I HN 1.030 nan 8.210 nan 0.000 0.541 65 S N 4.006 119.543 115.700 -0.271 0.000 2.651 65 S HA 0.414 4.884 4.470 -0.000 0.000 0.279 65 S C 0.804 174.942 174.600 -0.769 0.000 1.148 65 S CA -0.755 57.029 58.200 -0.694 0.000 0.837 65 S CB 2.083 65.044 63.200 -0.399 0.000 1.138 65 S HN 0.600 nan 8.310 nan 0.000 0.478 66 E N 1.017 120.599 120.200 -1.030 0.000 2.153 66 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 66 E C 1.658 178.142 176.600 -0.193 0.000 0.988 66 E CA 1.068 57.221 56.400 -0.411 0.000 0.811 66 E CB -0.270 29.290 29.700 -0.234 0.000 0.746 66 E HN 0.655 nan 8.360 nan 0.000 0.466 67 K N 0.580 120.830 120.400 -0.249 0.000 2.057 67 K HA -0.164 4.155 4.320 -0.000 0.000 0.207 67 K C 2.265 178.726 176.600 -0.231 0.000 1.049 67 K CA 1.086 57.245 56.287 -0.212 0.000 0.931 67 K CB -0.137 32.252 32.500 -0.186 0.000 0.714 67 K HN 0.183 nan 8.250 nan 0.000 0.440 68 L N 0.677 121.717 121.223 -0.306 0.000 2.012 68 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 68 L C 1.903 178.469 176.870 -0.506 0.000 1.073 68 L CA 1.790 56.343 54.840 -0.477 0.000 0.748 68 L CB -0.532 41.106 42.059 -0.702 0.000 0.891 68 L HN 0.121 nan 8.230 nan 0.000 0.431 69 F N -1.163 118.655 119.950 -0.220 0.000 2.206 69 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 69 F C 2.360 178.079 175.800 -0.135 0.000 1.090 69 F CA 1.287 59.198 58.000 -0.150 0.000 1.323 69 F CB -0.585 38.419 39.000 0.007 0.000 1.028 69 F HN 0.038 nan 8.300 nan 0.000 0.492 70 M N -0.292 119.313 119.600 0.008 0.000 2.117 70 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 70 M C 2.057 178.351 176.300 -0.010 0.000 1.065 70 M CA 1.717 56.991 55.300 -0.044 0.000 1.114 70 M CB -0.501 31.890 32.600 -0.349 0.000 1.361 70 M HN 0.136 nan 8.290 nan 0.000 0.408 71 E N -0.073 120.054 120.200 -0.123 0.000 2.051 71 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 71 E C 2.077 178.570 176.600 -0.178 0.000 0.991 71 E CA 1.162 57.481 56.400 -0.135 0.000 0.799 71 E CB -0.045 29.548 29.700 -0.179 0.000 0.748 71 E HN 0.394 nan 8.360 nan 0.000 0.449 72 M N 0.355 119.764 119.600 -0.319 0.000 2.108 72 M HA -0.128 4.351 4.480 -0.000 0.000 0.261 72 M C 2.453 178.591 176.300 -0.269 0.000 1.066 72 M CA 1.339 56.349 55.300 -0.483 0.000 1.107 72 M CB -1.181 30.838 32.600 -0.968 0.000 1.356 72 M HN 0.119 nan 8.290 nan 0.000 0.406 73 A N 0.007 122.767 122.820 -0.100 0.000 1.933 73 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 73 A C 2.111 179.706 177.584 0.019 0.000 1.175 73 A CA 1.838 53.883 52.037 0.013 0.000 0.628 73 A CB -0.692 18.385 19.000 0.128 0.000 0.814 73 A HN 0.577 nan 8.150 nan 0.000 0.444 74 E N -0.211 120.013 120.200 0.040 0.000 2.051 74 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 74 E C 1.902 178.513 176.600 0.019 0.000 0.991 74 E CA 1.314 57.734 56.400 0.033 0.000 0.799 74 E CB -0.284 29.447 29.700 0.051 0.000 0.748 74 E HN 0.624 nan 8.360 nan 0.000 0.449 75 L N 0.175 121.397 121.223 -0.002 0.000 2.217 75 L HA -0.117 4.222 4.340 -0.000 0.000 0.211 75 L C 2.464 179.446 176.870 0.187 0.000 1.107 75 L CA 0.666 55.537 54.840 0.052 0.000 0.783 75 L CB -0.229 41.831 42.059 0.001 0.000 0.919 75 L HN 0.210 nan 8.230 nan 0.000 0.442 76 M N -1.021 118.651 119.600 0.120 0.000 2.159 76 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 76 M C 2.184 178.629 176.300 0.241 0.000 1.063 76 M CA 1.402 56.850 55.300 0.247 0.000 1.110 76 M CB -0.220 32.445 32.600 0.108 0.000 1.374 76 M HN 0.101 nan 8.290 nan 0.000 0.411 77 V N -0.424 119.563 119.914 0.121 0.000 2.302 77 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 77 V C 2.435 178.560 176.094 0.052 0.000 1.036 77 V CA 2.039 64.382 62.300 0.072 0.000 1.020 77 V CB -0.807 31.030 31.823 0.023 0.000 0.657 77 V HN 0.575 nan 8.190 nan 0.000 0.453 78 S N -0.204 115.523 115.700 0.045 0.000 2.402 78 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 78 S C 1.514 176.111 174.600 -0.006 0.000 1.021 78 S CA 1.064 59.273 58.200 0.015 0.000 0.974 78 S CB -0.279 62.928 63.200 0.011 0.000 0.800 78 S HN 0.587 nan 8.310 nan 0.000 0.484 79 E N 0.895 121.103 120.200 0.015 0.000 2.419 79 E HA 0.269 4.619 4.350 -0.000 0.000 0.190 79 E C 1.164 177.552 176.600 -0.354 0.000 1.040 79 E CA 0.415 56.748 56.400 -0.111 0.000 0.900 79 E CB 0.069 29.774 29.700 0.009 0.000 1.054 79 E HN 0.708 nan 8.360 nan 0.000 0.462 80 G N 0.718 109.404 108.800 -0.191 0.000 2.159 80 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.256 80 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.256 80 G C 0.789 175.594 174.900 -0.158 0.000 0.977 80 G CA 0.415 45.399 45.100 -0.192 0.000 0.652 80 G HN 0.367 nan 8.290 nan 0.000 0.531 81 W N 0.418 121.761 121.300 0.071 0.000 2.379 81 W HA 0.075 4.735 4.660 -0.001 0.000 0.307 81 W C 2.612 179.268 176.519 0.230 0.000 1.200 81 W CA 1.590 59.024 57.345 0.148 0.000 1.297 81 W CB -0.202 29.291 29.460 0.055 0.000 1.140 81 W HN 0.356 nan 8.180 nan 0.000 0.507 82 K N 0.572 121.184 120.400 0.352 0.000 2.057 82 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 82 K C 1.468 178.158 176.600 0.150 0.000 1.049 82 K CA 2.083 58.508 56.287 0.230 0.000 0.931 82 K CB -0.345 32.244 32.500 0.147 0.000 0.714 82 K HN -0.034 nan 8.250 nan 0.000 0.440 83 D N 0.503 120.965 120.400 0.102 0.000 2.123 83 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 83 D C 1.763 178.097 176.300 0.056 0.000 0.992 83 D CA 1.458 55.489 54.000 0.051 0.000 0.833 83 D CB -0.260 40.546 40.800 0.011 0.000 0.954 83 D HN 0.395 nan 8.370 nan 0.000 0.455 84 A N -0.489 122.391 122.820 0.100 0.000 2.070 84 A HA 0.210 4.530 4.320 -0.000 0.000 0.220 84 A C 1.907 179.507 177.584 0.027 0.000 1.159 84 A CA 2.038 54.137 52.037 0.103 0.000 0.656 84 A CB -0.148 18.995 19.000 0.238 0.000 0.800 84 A HN 0.361 nan 8.150 nan 0.000 0.453 85 G N -3.544 105.289 108.800 0.054 0.000 2.273 85 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.162 85 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.162 85 G C -0.104 174.765 174.900 -0.051 0.000 1.006 85 G CA -0.154 44.915 45.100 -0.051 0.000 0.704 85 G HN 0.320 nan 8.290 nan 0.000 0.487 86 Y N 2.397 122.798 120.300 0.168 0.000 2.624 86 Y HA 0.397 4.947 4.550 -0.000 0.000 0.354 86 Y C 1.586 177.601 175.900 0.192 0.000 1.051 86 Y CA 0.663 58.882 58.100 0.198 0.000 1.377 86 Y CB 0.528 39.151 38.460 0.272 0.000 1.168 86 Y HN 0.505 nan 8.280 nan 0.000 0.525 87 E N 0.818 121.185 120.200 0.279 0.000 2.490 87 E HA 0.056 4.406 4.350 -0.000 0.000 0.209 87 E C -0.886 175.755 176.600 0.068 0.000 0.971 87 E CA -0.117 56.361 56.400 0.130 0.000 0.988 87 E CB 0.255 29.951 29.700 -0.008 0.000 1.029 87 E HN 0.489 nan 8.360 nan 0.000 0.496 88 Y N 1.669 122.142 120.300 0.289 0.000 2.385 88 Y HA 0.317 4.866 4.550 -0.000 0.000 0.341 88 Y C -0.447 175.703 175.900 0.417 0.000 0.965 88 Y CA -1.170 57.139 58.100 0.348 0.000 1.180 88 Y CB 1.353 40.076 38.460 0.438 0.000 1.139 88 Y HN 0.068 nan 8.280 nan 0.000 0.502 89 L N 5.098 126.587 121.223 0.444 0.000 2.261 89 L HA 0.497 4.837 4.340 -0.000 0.000 0.289 89 L C -1.049 176.095 176.870 0.457 0.000 1.059 89 L CA -0.397 54.727 54.840 0.474 0.000 0.816 89 L CB -0.123 42.127 42.059 0.318 0.000 1.191 89 L HN 0.680 nan 8.230 nan 0.000 0.431 90 C N 6.075 125.710 119.300 0.558 0.000 2.319 90 C HA 0.516 4.976 4.460 -0.000 0.000 0.323 90 C C 0.332 175.567 174.990 0.408 0.000 1.277 90 C CA -1.220 58.006 59.018 0.347 0.000 1.517 90 C CB 0.373 28.235 27.740 0.204 0.000 2.206 90 C HN 0.690 nan 8.230 nan 0.000 0.486 91 I N 3.430 124.064 120.570 0.106 0.000 2.416 91 I HA 0.141 4.310 4.170 -0.000 0.000 0.288 91 I C 0.855 177.145 176.117 0.288 0.000 1.051 91 I CA 0.608 61.984 61.300 0.126 0.000 1.375 91 I CB 0.207 37.923 38.000 -0.473 0.000 1.407 91 I HN 0.703 nan 8.210 nan 0.000 0.516 92 D N 4.233 124.900 120.400 0.445 0.000 2.446 92 D HA 0.048 4.688 4.640 -0.000 0.000 0.288 92 D C -0.302 176.102 176.300 0.173 0.000 1.195 92 D CA -0.364 53.699 54.000 0.105 0.000 1.095 92 D CB 0.844 41.468 40.800 -0.294 0.000 1.153 92 D HN 0.420 nan 8.370 nan 0.000 0.568 93 D N -1.149 118.955 120.400 -0.494 0.000 2.361 93 D HA 0.045 4.685 4.640 -0.000 0.000 0.239 93 D C 0.004 176.420 176.300 0.192 0.000 1.200 93 D CA 0.077 53.769 54.000 -0.513 0.000 0.915 93 D CB 0.309 40.536 40.800 -0.955 0.000 1.170 93 D HN 0.515 nan 8.370 nan 0.000 0.444 94 c N 1.909 120.504 118.600 -0.008 0.000 4.584 94 c HA -0.099 4.471 4.570 -0.000 0.000 0.288 94 c C 1.371 175.396 174.090 -0.108 0.000 1.284 94 c CA 0.017 56.235 56.329 -0.184 0.000 2.038 94 c CB -2.442 40.211 42.510 0.238 0.000 1.246 94 c HN 0.776 nan 8.230 nan 0.000 0.765 95 W N -1.312 119.864 121.300 -0.205 0.000 3.013 95 W HA 0.498 5.157 4.660 -0.001 0.000 0.280 95 W C 0.576 176.870 176.519 -0.376 0.000 1.249 95 W CA -0.334 56.838 57.345 -0.287 0.000 1.577 95 W CB -0.603 28.587 29.460 -0.451 0.000 1.057 95 W HN 0.340 nan 8.180 nan 0.000 0.613 96 M N 1.834 120.797 119.600 -1.062 0.000 2.247 96 M HA 0.451 4.931 4.480 -0.000 0.000 0.326 96 M C 0.714 176.725 176.300 -0.482 0.000 1.134 96 M CA -0.213 54.499 55.300 -0.980 0.000 1.136 96 M CB 1.143 33.135 32.600 -1.013 0.000 1.454 96 M HN -0.117 nan 8.290 nan 0.000 0.467 97 A N 2.055 124.743 122.820 -0.221 0.000 2.366 97 A HA 0.347 4.667 4.320 -0.000 0.000 0.249 97 A C -1.846 175.774 177.584 0.060 0.000 1.084 97 A CA -1.283 50.730 52.037 -0.040 0.000 0.794 97 A CB -0.532 18.468 19.000 0.000 0.000 1.034 97 A HN 0.642 nan 8.150 nan 0.000 0.491 98 P HA -0.077 nan 4.420 nan 0.000 0.219 98 P C 0.025 177.356 177.300 0.052 0.000 1.146 98 P CA 1.302 64.499 63.100 0.163 0.000 0.808 98 P CB 0.216 31.973 31.700 0.096 0.000 0.779 99 Q N -1.193 118.616 119.800 0.014 0.000 2.433 99 Q HA 0.374 4.714 4.340 -0.000 0.000 0.279 99 Q C -0.038 175.932 176.000 -0.050 0.000 1.105 99 Q CA -0.835 54.952 55.803 -0.027 0.000 0.815 99 Q CB 2.056 30.782 28.738 -0.021 0.000 1.403 99 Q HN 0.036 nan 8.270 nan 0.000 0.435 100 R N 0.909 121.352 120.500 -0.094 0.000 2.615 100 R HA 0.112 4.451 4.340 -0.000 0.000 0.270 100 R C 0.161 176.424 176.300 -0.060 0.000 1.081 100 R CA -0.307 55.723 56.100 -0.116 0.000 1.154 100 R CB 0.307 30.463 30.300 -0.239 0.000 1.063 100 R HN 0.648 nan 8.270 nan 0.000 0.519 101 D N -0.260 120.118 120.400 -0.037 0.000 2.414 101 D HA -0.067 4.573 4.640 -0.000 0.000 0.259 101 D C 0.732 177.023 176.300 -0.015 0.000 1.269 101 D CA -0.307 53.688 54.000 -0.008 0.000 1.028 101 D CB 0.311 41.124 40.800 0.021 0.000 1.093 101 D HN 0.421 nan 8.370 nan 0.000 0.545 102 S N -1.393 114.307 115.700 -0.001 0.000 2.507 102 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 102 S C 0.910 175.511 174.600 0.002 0.000 0.988 102 S CA 0.410 58.610 58.200 0.001 0.000 0.944 102 S CB -0.363 62.840 63.200 0.006 0.000 0.762 102 S HN 0.503 nan 8.310 nan 0.000 0.526 103 E N 0.931 121.130 120.200 -0.001 0.000 2.444 103 E HA 0.249 4.599 4.350 -0.000 0.000 0.191 103 E C 1.166 177.763 176.600 -0.004 0.000 1.041 103 E CA 0.377 56.776 56.400 -0.002 0.000 0.883 103 E CB -0.064 29.633 29.700 -0.004 0.000 1.024 103 E HN 0.669 nan 8.360 nan 0.000 0.470 104 G N 2.430 111.218 108.800 -0.020 0.000 2.160 104 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.251 104 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.251 104 G C 0.155 174.949 174.900 -0.177 0.000 1.008 104 G CA 0.157 45.224 45.100 -0.056 0.000 0.724 104 G HN 0.203 nan 8.290 nan 0.000 0.514 105 R N -0.623 119.800 120.500 -0.129 0.000 2.457 105 R HA 0.612 4.951 4.340 -0.000 0.000 0.284 105 R C 0.810 177.041 176.300 -0.115 0.000 1.024 105 R CA -0.895 55.120 56.100 -0.141 0.000 1.025 105 R CB 1.099 31.352 30.300 -0.077 0.000 1.063 105 R HN 0.216 nan 8.270 nan 0.000 0.493 106 L N 2.692 123.854 121.223 -0.102 0.000 2.485 106 L HA -0.007 4.333 4.340 -0.000 0.000 0.275 106 L C 0.427 177.440 176.870 0.239 0.000 1.207 106 L CA 0.623 55.481 54.840 0.030 0.000 0.855 106 L CB 0.124 42.274 42.059 0.151 0.000 1.114 106 L HN 0.404 nan 8.230 nan 0.000 0.485 107 Q N 2.110 122.003 119.800 0.155 0.000 2.342 107 Q HA 0.627 4.966 4.340 -0.000 0.000 0.267 107 Q C -0.552 175.557 176.000 0.181 0.000 1.038 107 Q CA -0.922 55.016 55.803 0.224 0.000 0.832 107 Q CB 2.230 31.030 28.738 0.104 0.000 1.323 107 Q HN 0.741 nan 8.270 nan 0.000 0.448 108 A N 1.610 124.589 122.820 0.264 0.000 2.407 108 A HA 0.090 4.409 4.320 -0.000 0.000 0.248 108 A C -0.305 177.342 177.584 0.105 0.000 1.082 108 A CA -0.245 51.895 52.037 0.172 0.000 0.785 108 A CB 0.114 19.113 19.000 -0.001 0.000 1.020 108 A HN 0.820 nan 8.150 nan 0.000 0.489 109 D N 2.430 122.899 120.400 0.115 0.000 2.487 109 D HA 0.112 4.752 4.640 -0.000 0.000 0.243 109 D C -1.084 175.318 176.300 0.170 0.000 1.154 109 D CA -0.720 53.363 54.000 0.139 0.000 0.876 109 D CB 0.851 41.760 40.800 0.181 0.000 1.161 109 D HN 0.237 nan 8.370 nan 0.000 0.478 110 P HA -0.171 nan 4.420 nan 0.000 0.217 110 P C 0.890 178.215 177.300 0.042 0.000 1.150 110 P CA 1.234 64.371 63.100 0.062 0.000 0.832 110 P CB 0.294 32.016 31.700 0.038 0.000 0.787 111 Q N -0.389 119.439 119.800 0.047 0.000 2.137 111 Q HA 0.003 4.342 4.340 -0.000 0.000 0.198 111 Q C 2.386 178.386 176.000 0.000 0.000 0.960 111 Q CA 1.411 57.224 55.803 0.017 0.000 0.847 111 Q CB -0.322 28.429 28.738 0.022 0.000 0.915 111 Q HN 0.272 nan 8.270 nan 0.000 0.448 112 R N -1.462 119.065 120.500 0.044 0.000 2.206 112 R HA 0.169 4.509 4.340 -0.000 0.000 0.198 112 R C -0.068 176.074 176.300 -0.263 0.000 0.986 112 R CA 0.352 56.412 56.100 -0.066 0.000 1.029 112 R CB 0.514 30.824 30.300 0.017 0.000 0.966 112 R HN 0.126 nan 8.270 nan 0.000 0.487 113 F N 1.379 121.335 119.950 0.011 0.000 2.530 113 F HA 0.304 4.831 4.527 0.001 0.000 0.318 113 F C -1.651 174.125 175.800 -0.040 0.000 1.356 113 F CA -2.110 55.890 58.000 0.000 0.000 1.135 113 F CB 1.456 40.463 39.000 0.011 0.000 1.315 113 F HN -0.140 nan 8.300 nan 0.000 0.549 114 P HA -0.173 nan 4.420 nan 0.000 0.220 114 P C 0.731 177.904 177.300 -0.212 0.000 1.148 114 P CA 1.716 64.737 63.100 -0.133 0.000 0.803 114 P CB 0.061 31.604 31.700 -0.263 0.000 0.782 115 H N -1.108 117.967 119.070 0.009 0.000 2.539 115 H HA 0.374 4.930 4.556 -0.001 0.000 0.269 115 H C 1.220 176.532 175.328 -0.027 0.000 0.980 115 H CA 0.574 56.614 56.048 -0.012 0.000 1.152 115 H CB -0.261 29.478 29.762 -0.038 0.000 1.407 115 H HN 0.194 nan 8.280 nan 0.000 0.564 116 G N 0.453 109.291 108.800 0.064 0.000 2.814 116 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.677 116 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.677 116 G C 0.517 175.291 174.900 -0.209 0.000 1.429 116 G CA -0.247 44.804 45.100 -0.081 0.000 0.868 116 G HN 0.135 nan 8.290 nan 0.000 0.553 117 I N 0.584 120.805 120.570 -0.580 0.000 2.439 117 I HA -0.023 4.147 4.170 -0.000 0.000 0.251 117 I C 2.829 178.631 176.117 -0.524 0.000 1.139 117 I CA 1.697 62.573 61.300 -0.706 0.000 1.438 117 I CB -0.992 36.239 38.000 -1.282 0.000 1.085 117 I HN 0.750 nan 8.210 nan 0.000 0.427 118 R N 1.101 121.275 120.500 -0.544 0.000 2.083 118 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 118 R C 2.201 178.447 176.300 -0.090 0.000 1.137 118 R CA 1.684 57.674 56.100 -0.183 0.000 0.951 118 R CB -0.072 30.212 30.300 -0.026 0.000 0.851 118 R HN 0.438 nan 8.270 nan 0.000 0.434 119 Q N 0.084 119.838 119.800 -0.078 0.000 2.124 119 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 119 Q C 2.152 178.136 176.000 -0.028 0.000 0.977 119 Q CA 1.169 56.956 55.803 -0.026 0.000 0.850 119 Q CB -0.093 28.643 28.738 -0.003 0.000 0.901 119 Q HN 0.246 nan 8.270 nan 0.000 0.429 120 L N 0.738 121.921 121.223 -0.066 0.000 2.017 120 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 120 L C 2.184 179.010 176.870 -0.073 0.000 1.073 120 L CA 2.061 56.874 54.840 -0.046 0.000 0.745 120 L CB -0.876 41.148 42.059 -0.059 0.000 0.894 120 L HN 0.105 nan 8.230 nan 0.000 0.432 121 A N -0.323 122.394 122.820 -0.173 0.000 1.883 121 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 121 A C 2.076 179.382 177.584 -0.463 0.000 1.186 121 A CA 1.983 53.817 52.037 -0.339 0.000 0.624 121 A CB -0.835 18.024 19.000 -0.235 0.000 0.822 121 A HN 0.609 nan 8.150 nan 0.000 0.444 122 N N -1.461 117.144 118.700 -0.158 0.000 2.120 122 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 122 N C 1.566 177.082 175.510 0.010 0.000 1.024 122 N CA 1.667 54.704 53.050 -0.022 0.000 0.852 122 N CB -0.690 37.828 38.487 0.051 0.000 1.003 122 N HN 0.664 nan 8.380 nan 0.000 0.424 123 Y N 1.714 121.960 120.300 -0.090 0.000 2.145 123 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 123 Y C 2.251 178.119 175.900 -0.054 0.000 1.145 123 Y CA 1.202 59.265 58.100 -0.062 0.000 1.148 123 Y CB -0.339 38.081 38.460 -0.067 0.000 0.981 123 Y HN -0.193 nan 8.280 nan 0.000 0.507 124 V N 0.010 119.926 119.914 0.003 0.000 2.343 124 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 124 V C 2.053 178.128 176.094 -0.031 0.000 1.051 124 V CA 2.502 64.777 62.300 -0.042 0.000 1.036 124 V CB -0.852 30.948 31.823 -0.039 0.000 0.654 124 V HN 0.541 nan 8.190 nan 0.000 0.451 125 H N 0.274 119.331 119.070 -0.021 0.000 2.421 125 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 125 H C 2.463 177.754 175.328 -0.063 0.000 1.087 125 H CA 1.264 57.293 56.048 -0.031 0.000 1.330 125 H CB -0.009 29.751 29.762 -0.003 0.000 1.388 125 H HN 0.590 nan 8.280 nan 0.000 0.526 126 S N 0.728 116.433 115.700 0.008 0.000 2.447 126 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 126 S C 1.633 176.162 174.600 -0.118 0.000 1.006 126 S CA 0.703 58.860 58.200 -0.071 0.000 0.957 126 S CB 0.077 63.194 63.200 -0.138 0.000 0.773 126 S HN 0.241 nan 8.310 nan 0.000 0.507 127 K N 0.873 121.185 120.400 -0.146 0.000 2.444 127 K HA 0.238 4.558 4.320 -0.000 0.000 0.193 127 K C 1.366 177.940 176.600 -0.043 0.000 1.024 127 K CA 0.601 56.815 56.287 -0.121 0.000 1.077 127 K CB -0.415 31.997 32.500 -0.147 0.000 0.833 127 K HN 0.602 nan 8.250 nan 0.000 0.517 128 G N 1.656 110.446 108.800 -0.017 0.000 2.143 128 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.248 128 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.248 128 G C 0.099 175.002 174.900 0.006 0.000 0.991 128 G CA 0.219 45.317 45.100 -0.002 0.000 0.689 128 G HN 0.216 nan 8.290 nan 0.000 0.522 129 L N -1.226 120.012 121.223 0.026 0.000 2.397 129 L HA 0.749 5.089 4.340 -0.000 0.000 0.266 129 L C 0.644 177.545 176.870 0.052 0.000 1.040 129 L CA -1.062 53.792 54.840 0.025 0.000 0.800 129 L CB 1.295 43.384 42.059 0.050 0.000 1.324 129 L HN -0.007 nan 8.230 nan 0.000 0.469 130 K N 0.887 121.267 120.400 -0.033 0.000 2.371 130 K HA 0.524 4.844 4.320 -0.000 0.000 0.251 130 K C -1.490 175.179 176.600 0.115 0.000 0.934 130 K CA -0.830 55.450 56.287 -0.011 0.000 0.798 130 K CB 2.574 34.790 32.500 -0.473 0.000 1.204 130 K HN 0.169 nan 8.250 nan 0.000 0.427 131 L N 1.465 122.794 121.223 0.177 0.000 2.289 131 L HA 0.534 4.874 4.340 -0.000 0.000 0.285 131 L C -0.188 176.800 176.870 0.196 0.000 1.049 131 L CA 0.284 55.200 54.840 0.127 0.000 0.804 131 L CB 1.390 43.435 42.059 -0.022 0.000 1.195 131 L HN 0.729 nan 8.230 nan 0.000 0.428 132 G N 4.969 113.878 108.800 0.181 0.000 2.432 132 G HA2 0.668 4.628 3.960 -0.000 0.000 0.331 132 G HA3 0.668 4.628 3.960 -0.000 0.000 0.331 132 G C -1.416 173.447 174.900 -0.061 0.000 1.170 132 G CA -0.430 44.746 45.100 0.127 0.000 0.943 132 G HN 0.750 nan 8.290 nan 0.000 0.483 133 I N -0.599 119.888 120.570 -0.139 0.000 3.191 133 I HA 0.673 4.843 4.170 -0.000 0.000 0.313 133 I C -1.855 174.223 176.117 -0.064 0.000 1.193 133 I CA -1.468 59.657 61.300 -0.292 0.000 0.968 133 I CB 2.707 40.339 38.000 -0.614 0.000 1.262 133 I HN 0.553 nan 8.210 nan 0.000 0.456 134 Y N 3.866 124.163 120.300 -0.006 0.000 2.409 134 Y HA 0.834 5.383 4.550 -0.000 0.000 0.343 134 Y C -0.769 175.411 175.900 0.467 0.000 0.973 134 Y CA -0.277 57.968 58.100 0.242 0.000 1.064 134 Y CB 1.659 40.288 38.460 0.281 0.000 1.207 134 Y HN 0.684 nan 8.280 nan 0.000 0.452 135 A N 4.146 126.938 122.820 -0.048 0.000 2.567 135 A HA 0.557 4.877 4.320 -0.000 0.000 0.289 135 A C -2.059 175.357 177.584 -0.280 0.000 1.177 135 A CA -0.732 51.416 52.037 0.185 0.000 0.694 135 A CB 1.863 21.280 19.000 0.695 0.000 1.292 135 A HN 0.693 nan 8.150 nan 0.000 0.425 136 D N -0.333 119.953 120.400 -0.190 0.000 2.780 136 D HA 0.309 4.949 4.640 -0.000 0.000 0.242 136 D C 0.351 176.236 176.300 -0.692 0.000 1.135 136 D CA -0.320 53.352 54.000 -0.548 0.000 0.859 136 D CB 2.491 43.178 40.800 -0.188 0.000 1.530 136 D HN 0.274 nan 8.370 nan 0.000 0.493 137 V N 3.296 122.506 119.914 -1.174 0.000 2.626 137 V HA 0.069 4.189 4.120 -0.000 0.000 0.252 137 V C 1.208 177.229 176.094 -0.121 0.000 1.067 137 V CA 2.098 63.948 62.300 -0.751 0.000 1.081 137 V CB -0.212 30.994 31.823 -1.030 0.000 0.686 137 V HN 0.574 nan 8.190 nan 0.000 0.468 138 G N -0.995 107.697 108.800 -0.179 0.000 2.574 138 G HA2 0.097 4.057 3.960 -0.000 0.000 0.248 138 G HA3 0.097 4.057 3.960 -0.000 0.000 0.248 138 G C 0.604 175.513 174.900 0.015 0.000 1.422 138 G CA 0.099 45.153 45.100 -0.077 0.000 1.051 138 G HN 0.279 nan 8.290 nan 0.000 0.560 139 N N -0.288 118.404 118.700 -0.014 0.000 2.416 139 N HA 0.060 4.800 4.740 -0.000 0.000 0.177 139 N C 0.358 175.835 175.510 -0.055 0.000 1.036 139 N CA 0.825 53.870 53.050 -0.007 0.000 0.901 139 N CB 0.256 38.704 38.487 -0.064 0.000 0.976 139 N HN 0.360 nan 8.380 nan 0.000 0.444 140 K N -0.184 120.169 120.400 -0.078 0.000 2.480 140 K HA 0.242 4.562 4.320 -0.000 0.000 0.258 140 K C -0.238 176.410 176.600 0.080 0.000 0.990 140 K CA -0.626 55.581 56.287 -0.133 0.000 0.857 140 K CB 1.917 34.085 32.500 -0.552 0.000 1.384 140 K HN -0.071 nan 8.250 nan 0.000 0.446 141 T N -2.577 112.058 114.554 0.134 0.000 2.766 141 T HA 0.050 4.400 4.350 -0.000 0.000 0.295 141 T C 1.393 176.293 174.700 0.333 0.000 1.024 141 T CA -0.526 61.744 62.100 0.284 0.000 1.018 141 T CB 0.456 69.578 68.868 0.423 0.000 1.002 141 T HN 0.674 nan 8.240 nan 0.000 0.532 142 c N 0.935 119.723 118.600 0.313 0.000 2.419 142 c HA 0.155 4.725 4.570 -0.000 0.000 0.281 142 c C 3.063 177.308 174.090 0.259 0.000 1.336 142 c CA 0.632 57.120 56.329 0.266 0.000 1.770 142 c CB -1.984 40.607 42.510 0.134 0.000 1.929 142 c HN 0.999 nan 8.230 nan 0.000 0.509 143 A N -0.536 122.415 122.820 0.219 0.000 2.238 143 A HA 0.439 4.759 4.320 -0.000 0.000 0.208 143 A C 1.776 179.379 177.584 0.031 0.000 1.177 143 A CA 1.206 53.378 52.037 0.224 0.000 0.804 143 A CB -0.596 18.635 19.000 0.386 0.000 0.823 143 A HN 1.191 nan 8.150 nan 0.000 0.482 144 G N -2.188 106.609 108.800 -0.005 0.000 2.159 144 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 144 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 144 G C -0.014 174.638 174.900 -0.413 0.000 0.986 144 G CA 0.045 44.978 45.100 -0.278 0.000 0.651 144 G HN 0.285 nan 8.290 nan 0.000 0.523 145 F N 0.895 120.810 119.950 -0.058 0.000 2.362 145 F HA 0.568 5.095 4.527 -0.000 0.000 0.311 145 F C -1.604 174.133 175.800 -0.106 0.000 1.161 145 F CA -2.362 55.581 58.000 -0.094 0.000 1.085 145 F CB 0.364 39.293 39.000 -0.119 0.000 1.311 145 F HN -0.202 nan 8.300 nan 0.000 0.524 146 P HA 0.072 nan 4.420 nan 0.000 0.261 146 P C -0.137 177.169 177.300 0.011 0.000 1.183 146 P CA 0.157 63.244 63.100 -0.021 0.000 0.761 146 P CB 0.138 31.791 31.700 -0.078 0.000 0.785 147 G N 1.647 110.451 108.800 0.007 0.000 2.562 147 G HA2 0.213 4.173 3.960 -0.000 0.000 0.275 147 G HA3 0.213 4.173 3.960 -0.000 0.000 0.275 147 G C 0.663 175.610 174.900 0.077 0.000 1.196 147 G CA -0.385 44.744 45.100 0.049 0.000 0.908 147 G HN 0.361 nan 8.290 nan 0.000 0.524 148 S N -0.717 115.065 115.700 0.138 0.000 2.556 148 S HA 0.123 4.593 4.470 -0.000 0.000 0.216 148 S C 0.435 174.934 174.600 -0.169 0.000 0.970 148 S CA -0.558 57.728 58.200 0.143 0.000 0.912 148 S CB -0.172 63.296 63.200 0.447 0.000 0.790 148 S HN 0.448 nan 8.310 nan 0.000 0.504 149 F N 2.765 122.560 119.950 -0.259 0.000 2.608 149 F HA 0.389 4.916 4.527 -0.000 0.000 0.380 149 F C 1.374 176.902 175.800 -0.452 0.000 1.083 149 F CA 1.030 58.723 58.000 -0.513 0.000 1.266 149 F CB 0.024 38.904 39.000 -0.199 0.000 1.076 149 F HN 0.287 nan 8.300 nan 0.000 0.574 150 G N 4.408 112.263 108.800 -1.576 0.000 2.179 150 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.260 150 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.260 150 G C -0.030 174.170 174.900 -1.168 0.000 0.977 150 G CA 0.499 44.838 45.100 -1.268 0.000 0.641 150 G HN 0.780 nan 8.290 nan 0.000 0.533 151 Y N -1.302 118.570 120.300 -0.713 0.000 2.809 151 Y HA 0.406 4.957 4.550 0.000 0.000 0.251 151 Y C 1.680 177.372 175.900 -0.348 0.000 1.136 151 Y CA -0.830 57.015 58.100 -0.424 0.000 1.185 151 Y CB -0.056 38.228 38.460 -0.292 0.000 1.260 151 Y HN 0.150 nan 8.280 nan 0.000 0.576 152 Y N 0.421 120.603 120.300 -0.198 0.000 2.145 152 Y HA -0.230 4.319 4.550 -0.000 0.000 0.286 152 Y C 1.867 177.678 175.900 -0.148 0.000 1.145 152 Y CA 1.369 59.349 58.100 -0.199 0.000 1.148 152 Y CB -0.424 37.789 38.460 -0.411 0.000 0.981 152 Y HN 0.155 nan 8.280 nan 0.000 0.507 153 D N -0.064 120.358 120.400 0.037 0.000 2.097 153 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 153 D C 2.360 178.616 176.300 -0.073 0.000 0.984 153 D CA 1.321 55.328 54.000 0.011 0.000 0.826 153 D CB -0.484 40.333 40.800 0.028 0.000 0.973 153 D HN 0.302 nan 8.370 nan 0.000 0.460 154 I N 1.248 121.767 120.570 -0.086 0.000 2.179 154 I HA -0.254 3.915 4.170 -0.000 0.000 0.242 154 I C 1.865 177.823 176.117 -0.265 0.000 1.088 154 I CA 1.156 62.379 61.300 -0.128 0.000 1.357 154 I CB -0.121 37.853 38.000 -0.043 0.000 1.051 154 I HN -0.128 nan 8.210 nan 0.000 0.409 155 D N 0.994 121.222 120.400 -0.287 0.000 2.117 155 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 155 D C 2.258 178.073 176.300 -0.808 0.000 0.982 155 D CA 1.523 55.159 54.000 -0.607 0.000 0.828 155 D CB -0.284 40.293 40.800 -0.371 0.000 0.967 155 D HN 0.331 nan 8.370 nan 0.000 0.464 156 A N 0.955 123.569 122.820 -0.343 0.000 1.883 156 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 156 A C 2.123 179.598 177.584 -0.180 0.000 1.186 156 A CA 1.432 53.370 52.037 -0.164 0.000 0.624 156 A CB -0.502 18.445 19.000 -0.088 0.000 0.822 156 A HN 0.103 nan 8.150 nan 0.000 0.444 157 Q N -0.659 119.015 119.800 -0.209 0.000 2.119 157 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 157 Q C 2.270 178.097 176.000 -0.288 0.000 0.972 157 Q CA 1.943 57.636 55.803 -0.183 0.000 0.847 157 Q CB -0.856 27.794 28.738 -0.145 0.000 0.903 157 Q HN 0.714 nan 8.270 nan 0.000 0.433 158 T N 1.206 115.461 114.554 -0.498 0.000 2.684 158 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 158 T C 1.591 175.806 174.700 -0.808 0.000 1.036 158 T CA 1.392 63.001 62.100 -0.817 0.000 1.148 158 T CB -0.334 67.888 68.868 -1.077 0.000 0.863 158 T HN 0.131 nan 8.240 nan 0.000 0.436 159 F N 1.789 121.492 119.950 -0.412 0.000 2.102 159 F HA 0.100 4.627 4.527 -0.001 0.000 0.298 159 F C 2.734 178.528 175.800 -0.009 0.000 1.105 159 F CA 0.194 58.115 58.000 -0.132 0.000 1.239 159 F CB -1.504 37.484 39.000 -0.020 0.000 0.991 159 F HN 0.151 nan 8.300 nan 0.000 0.474 160 A N 0.133 123.031 122.820 0.129 0.000 1.902 160 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 160 A C 2.014 179.655 177.584 0.096 0.000 1.181 160 A CA 2.025 54.125 52.037 0.105 0.000 0.623 160 A CB -0.899 18.128 19.000 0.046 0.000 0.818 160 A HN 0.284 nan 8.150 nan 0.000 0.443 161 D N -1.118 119.290 120.400 0.014 0.000 2.144 161 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 161 D C 1.602 178.018 176.300 0.193 0.000 0.984 161 D CA 0.878 54.901 54.000 0.039 0.000 0.834 161 D CB -0.342 40.420 40.800 -0.062 0.000 0.955 161 D HN 0.677 nan 8.370 nan 0.000 0.465 162 W N 0.415 121.771 121.300 0.094 0.000 2.465 162 W HA 0.152 4.812 4.660 0.001 0.000 0.268 162 W C 1.546 178.127 176.519 0.102 0.000 1.242 162 W CA 1.422 58.820 57.345 0.088 0.000 1.248 162 W CB -0.601 28.913 29.460 0.089 0.000 1.118 162 W HN 0.174 nan 8.180 nan 0.000 0.587 163 G N -0.490 108.522 108.800 0.353 0.000 2.131 163 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.201 163 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.201 163 G C -0.076 175.030 174.900 0.344 0.000 1.000 163 G CA -0.129 45.178 45.100 0.345 0.000 0.680 163 G HN -0.010 nan 8.290 nan 0.000 0.514 164 V N 0.883 120.972 119.914 0.291 0.000 2.763 164 V HA 0.220 4.340 4.120 -0.000 0.000 0.306 164 V C 1.037 177.266 176.094 0.224 0.000 1.059 164 V CA 1.008 63.437 62.300 0.214 0.000 1.138 164 V CB 1.260 33.175 31.823 0.153 0.000 0.940 164 V HN 0.359 nan 8.190 nan 0.000 0.489 165 D N 2.879 123.428 120.400 0.249 0.000 2.441 165 D HA 0.266 4.906 4.640 -0.000 0.000 0.210 165 D C -0.002 176.514 176.300 0.359 0.000 1.102 165 D CA 0.331 54.513 54.000 0.303 0.000 0.840 165 D CB 1.462 42.463 40.800 0.335 0.000 0.990 165 D HN 0.376 nan 8.370 nan 0.000 0.505 166 L N 0.801 122.186 121.223 0.271 0.000 2.505 166 L HA 0.427 4.767 4.340 -0.000 0.000 0.259 166 L C -2.268 174.656 176.870 0.090 0.000 0.952 166 L CA -0.899 54.063 54.840 0.203 0.000 0.840 166 L CB 2.622 44.818 42.059 0.228 0.000 1.358 166 L HN -0.244 nan 8.230 nan 0.000 0.409 167 L N 4.212 125.495 121.223 0.099 0.000 2.372 167 L HA 0.513 4.852 4.340 -0.000 0.000 0.274 167 L C -0.911 176.043 176.870 0.140 0.000 0.988 167 L CA -0.208 54.668 54.840 0.059 0.000 0.833 167 L CB 1.533 43.634 42.059 0.070 0.000 1.236 167 L HN 0.629 nan 8.230 nan 0.000 0.410 168 K N 4.620 125.080 120.400 0.100 0.000 2.262 168 K HA 0.316 4.636 4.320 -0.000 0.000 0.282 168 K C -1.611 175.069 176.600 0.133 0.000 1.066 168 K CA -0.372 55.986 56.287 0.118 0.000 0.901 168 K CB 0.504 33.070 32.500 0.110 0.000 1.089 168 K HN 0.526 nan 8.250 nan 0.000 0.476 169 F N 4.378 124.323 119.950 -0.008 0.000 2.382 169 F HA 0.265 4.791 4.527 -0.001 0.000 0.361 169 F C -0.181 175.639 175.800 0.033 0.000 1.109 169 F CA -1.201 56.789 58.000 -0.017 0.000 1.031 169 F CB 0.832 39.940 39.000 0.180 0.000 1.234 169 F HN 0.600 nan 8.300 nan 0.000 0.445 170 D N 2.270 122.436 120.400 -0.389 0.000 2.388 170 D HA 0.469 5.109 4.640 -0.000 0.000 0.254 170 D C 0.704 176.773 176.300 -0.386 0.000 1.111 170 D CA -0.151 53.727 54.000 -0.203 0.000 0.993 170 D CB 1.969 42.671 40.800 -0.164 0.000 1.118 170 D HN 0.676 nan 8.370 nan 0.000 0.502 171 G N -0.144 108.383 108.800 -0.454 0.000 3.651 171 G HA2 0.153 4.113 3.960 -0.000 0.000 0.279 171 G HA3 0.153 4.113 3.960 -0.000 0.000 0.279 171 G C 0.368 174.668 174.900 -1.000 0.000 1.024 171 G CA -0.092 44.504 45.100 -0.841 0.000 0.813 171 G HN 0.485 nan 8.290 nan 0.000 0.518 172 c N -0.167 118.068 118.600 -0.608 0.000 2.649 172 c HA 0.328 4.898 4.570 -0.000 0.000 0.377 172 c C 0.708 174.687 174.090 -0.185 0.000 1.321 172 c CA 0.116 56.224 56.329 -0.368 0.000 2.368 172 c CB -0.650 41.779 42.510 -0.137 0.000 2.597 172 c HN 0.672 nan 8.230 nan 0.000 0.678 173 Y N -1.038 119.174 120.300 -0.146 0.000 3.168 173 Y HA -0.225 4.324 4.550 -0.000 0.000 0.207 173 Y C 0.556 176.344 175.900 -0.186 0.000 1.280 173 Y CA 0.550 58.572 58.100 -0.131 0.000 1.235 173 Y CB -1.683 36.716 38.460 -0.102 0.000 1.370 173 Y HN 0.767 nan 8.280 nan 0.000 0.537 174 C N 2.027 121.247 119.300 -0.134 0.000 2.319 174 C HA 0.434 4.893 4.460 -0.000 0.000 0.323 174 C C 1.376 176.260 174.990 -0.176 0.000 1.277 174 C CA -0.324 58.582 59.018 -0.187 0.000 1.517 174 C CB 0.151 27.760 27.740 -0.219 0.000 2.206 174 C HN 0.582 nan 8.230 nan 0.000 0.486 175 D N 3.179 123.464 120.400 -0.193 0.000 2.363 175 D HA 0.061 4.701 4.640 -0.000 0.000 0.220 175 D C 0.494 176.702 176.300 -0.152 0.000 0.994 175 D CA 0.791 54.697 54.000 -0.155 0.000 0.890 175 D CB 0.033 40.739 40.800 -0.157 0.000 0.906 175 D HN 0.659 nan 8.370 nan 0.000 0.530 176 S N -1.611 113.989 115.700 -0.166 0.000 2.547 176 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 176 S C 0.415 174.920 174.600 -0.158 0.000 1.150 176 S CA -0.965 57.138 58.200 -0.162 0.000 0.850 176 S CB 0.644 63.773 63.200 -0.118 0.000 1.118 176 S HN -0.016 nan 8.310 nan 0.000 0.461 177 L N 0.951 122.073 121.223 -0.169 0.000 2.275 177 L HA 0.042 4.382 4.340 -0.000 0.000 0.215 177 L C 2.708 179.544 176.870 -0.056 0.000 1.119 177 L CA 1.288 56.062 54.840 -0.110 0.000 0.790 177 L CB -0.396 41.598 42.059 -0.108 0.000 0.919 177 L HN 0.894 nan 8.230 nan 0.000 0.443 178 E N 0.601 120.766 120.200 -0.059 0.000 2.046 178 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 178 E C 1.786 178.356 176.600 -0.051 0.000 0.982 178 E CA 0.983 57.360 56.400 -0.038 0.000 0.800 178 E CB 0.186 29.870 29.700 -0.027 0.000 0.756 178 E HN 0.426 nan 8.360 nan 0.000 0.449 179 N N 0.893 119.556 118.700 -0.062 0.000 2.166 179 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 179 N C 1.798 177.258 175.510 -0.084 0.000 1.019 179 N CA 0.582 53.602 53.050 -0.049 0.000 0.856 179 N CB -0.316 38.115 38.487 -0.093 0.000 0.993 179 N HN 0.145 nan 8.380 nan 0.000 0.426 180 L N 0.604 121.755 121.223 -0.121 0.000 1.970 180 L HA -0.145 4.194 4.340 -0.000 0.000 0.212 180 L C 2.044 178.766 176.870 -0.247 0.000 1.071 180 L CA 1.914 56.666 54.840 -0.146 0.000 0.751 180 L CB -0.763 41.251 42.059 -0.075 0.000 0.889 180 L HN 0.156 nan 8.230 nan 0.000 0.432 181 A N -0.849 121.795 122.820 -0.294 0.000 1.877 181 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 181 A C 2.015 179.320 177.584 -0.465 0.000 1.186 181 A CA 1.935 53.641 52.037 -0.552 0.000 0.620 181 A CB -0.958 18.005 19.000 -0.063 0.000 0.822 181 A HN 0.569 nan 8.150 nan 0.000 0.443 182 D N -0.284 119.980 120.400 -0.227 0.000 2.116 182 D HA -0.123 4.516 4.640 -0.000 0.000 0.193 182 D C 2.080 178.260 176.300 -0.200 0.000 0.998 182 D CA 1.630 55.535 54.000 -0.158 0.000 0.836 182 D CB -0.770 40.010 40.800 -0.034 0.000 0.951 182 D HN 0.443 nan 8.370 nan 0.000 0.449 183 G N -0.390 108.278 108.800 -0.221 0.000 2.421 183 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 183 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 183 G C 1.476 176.087 174.900 -0.482 0.000 1.171 183 G CA 0.514 45.359 45.100 -0.425 0.000 0.775 183 G HN 0.252 nan 8.290 nan 0.000 0.543 184 Y N 1.123 121.194 120.300 -0.382 0.000 2.165 184 Y HA -0.092 4.458 4.550 -0.000 0.000 0.286 184 Y C 2.919 178.674 175.900 -0.242 0.000 1.155 184 Y CA 1.744 59.686 58.100 -0.263 0.000 1.164 184 Y CB -0.042 37.966 38.460 -0.754 0.000 0.978 184 Y HN 0.144 nan 8.280 nan 0.000 0.513 185 K N -1.267 118.913 120.400 -0.366 0.000 2.057 185 K HA -0.205 4.114 4.320 -0.000 0.000 0.206 185 K C 1.932 178.405 176.600 -0.212 0.000 1.050 185 K CA 1.557 57.540 56.287 -0.507 0.000 0.935 185 K CB -0.414 31.626 32.500 -0.766 0.000 0.715 185 K HN 0.444 nan 8.250 nan 0.000 0.439 186 H N 0.301 119.179 119.070 -0.320 0.000 2.319 186 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 186 H C 2.221 177.359 175.328 -0.318 0.000 1.092 186 H CA 1.915 57.792 56.048 -0.286 0.000 1.302 186 H CB 0.113 29.665 29.762 -0.351 0.000 1.373 186 H HN 0.005 nan 8.280 nan 0.000 0.497 187 M N -0.133 119.302 119.600 -0.275 0.000 2.159 187 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 187 M C 2.547 178.575 176.300 -0.452 0.000 1.063 187 M CA 1.687 56.749 55.300 -0.397 0.000 1.110 187 M CB -0.598 31.582 32.600 -0.699 0.000 1.374 187 M HN 0.224 nan 8.290 nan 0.000 0.411 188 S N -0.225 115.251 115.700 -0.374 0.000 2.359 188 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 188 S C 1.895 176.410 174.600 -0.140 0.000 1.035 188 S CA 1.656 59.657 58.200 -0.332 0.000 1.018 188 S CB -0.432 62.914 63.200 0.244 0.000 0.876 188 S HN 0.598 nan 8.310 nan 0.000 0.448 189 L N 0.856 122.052 121.223 -0.045 0.000 2.093 189 L HA -0.006 4.333 4.340 -0.000 0.000 0.208 189 L C 2.920 179.747 176.870 -0.073 0.000 1.085 189 L CA 1.049 55.867 54.840 -0.038 0.000 0.755 189 L CB -0.665 41.364 42.059 -0.050 0.000 0.904 189 L HN 0.408 nan 8.230 nan 0.000 0.435 190 A N 0.301 123.074 122.820 -0.077 0.000 1.902 190 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 190 A C 2.252 179.788 177.584 -0.079 0.000 1.181 190 A CA 1.364 53.374 52.037 -0.045 0.000 0.623 190 A CB -0.681 18.334 19.000 0.025 0.000 0.818 190 A HN 0.336 nan 8.150 nan 0.000 0.443 191 L N -0.129 121.007 121.223 -0.144 0.000 2.046 191 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 191 L C 2.636 179.465 176.870 -0.068 0.000 1.077 191 L CA 1.518 56.284 54.840 -0.122 0.000 0.747 191 L CB -0.645 41.280 42.059 -0.225 0.000 0.896 191 L HN 0.568 nan 8.230 nan 0.000 0.432 192 N N 0.649 119.307 118.700 -0.070 0.000 2.069 192 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 192 N C 1.996 177.493 175.510 -0.022 0.000 1.031 192 N CA 1.411 54.442 53.050 -0.031 0.000 0.852 192 N CB 0.036 38.509 38.487 -0.023 0.000 1.018 192 N HN 0.293 nan 8.380 nan 0.000 0.423 193 R N -0.019 120.463 120.500 -0.031 0.000 2.159 193 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 193 R C 2.218 178.507 176.300 -0.019 0.000 1.131 193 R CA 1.701 57.786 56.100 -0.025 0.000 0.982 193 R CB -0.476 29.805 30.300 -0.032 0.000 0.868 193 R HN 0.498 nan 8.270 nan 0.000 0.453 194 T N -3.063 111.480 114.554 -0.019 0.000 2.881 194 T HA -0.052 4.297 4.350 -0.000 0.000 0.270 194 T C 1.623 176.324 174.700 0.002 0.000 1.068 194 T CA 1.267 63.360 62.100 -0.011 0.000 1.131 194 T CB -0.116 68.749 68.868 -0.006 0.000 0.871 194 T HN 0.443 nan 8.240 nan 0.000 0.479 195 G N 1.337 110.140 108.800 0.005 0.000 2.179 195 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 195 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 195 G C 0.173 175.088 174.900 0.024 0.000 0.977 195 G CA 0.271 45.379 45.100 0.012 0.000 0.641 195 G HN 0.888 nan 8.290 nan 0.000 0.533 196 R N 0.846 121.365 120.500 0.032 0.000 2.404 196 R HA 0.540 4.879 4.340 -0.000 0.000 0.291 196 R C 0.032 176.368 176.300 0.061 0.000 1.025 196 R CA -0.127 56.002 56.100 0.049 0.000 0.991 196 R CB 0.468 30.807 30.300 0.065 0.000 1.053 196 R HN 0.106 nan 8.270 nan 0.000 0.479 197 S N 4.914 120.657 115.700 0.072 0.000 2.429 197 S HA 0.222 4.692 4.470 -0.000 0.000 0.292 197 S C -0.168 174.510 174.600 0.130 0.000 1.183 197 S CA -0.012 58.245 58.200 0.095 0.000 1.088 197 S CB -0.129 63.130 63.200 0.098 0.000 1.018 197 S HN 0.404 nan 8.310 nan 0.000 0.511 198 I N 3.679 124.326 120.570 0.129 0.000 2.468 198 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 198 I C -0.340 175.877 176.117 0.168 0.000 1.039 198 I CA -0.865 60.528 61.300 0.155 0.000 1.074 198 I CB 1.822 39.892 38.000 0.116 0.000 1.228 198 I HN 0.206 nan 8.210 nan 0.000 0.436 199 V N 6.352 126.382 119.914 0.194 0.000 2.540 199 V HA -0.098 4.022 4.120 -0.000 0.000 0.297 199 V C -0.505 175.692 176.094 0.172 0.000 1.024 199 V CA 0.353 62.743 62.300 0.150 0.000 1.105 199 V CB 0.080 31.940 31.823 0.062 0.000 0.938 199 V HN 0.434 nan 8.190 nan 0.000 0.482 200 Y N 4.769 125.062 120.300 -0.013 0.000 2.356 200 Y HA 0.503 5.053 4.550 -0.001 0.000 0.334 200 Y C 0.254 176.130 175.900 -0.040 0.000 0.958 200 Y CA -0.818 57.292 58.100 0.018 0.000 1.196 200 Y CB 1.557 40.068 38.460 0.085 0.000 1.137 200 Y HN 0.590 nan 8.280 nan 0.000 0.485 201 S N 6.060 121.666 115.700 -0.157 0.000 2.433 201 S HA 0.636 5.106 4.470 -0.000 0.000 0.310 201 S C -1.209 173.351 174.600 -0.067 0.000 1.097 201 S CA -0.408 57.699 58.200 -0.156 0.000 1.103 201 S CB -0.354 62.871 63.200 0.041 0.000 0.992 201 S HN 0.697 nan 8.310 nan 0.000 0.469 202 c N 4.124 122.732 118.600 0.013 0.000 2.319 202 c HA 0.460 5.029 4.570 -0.000 0.000 0.323 202 c C 1.495 175.716 174.090 0.219 0.000 1.277 202 c CA -0.766 55.630 56.329 0.111 0.000 1.517 202 c CB 0.767 43.268 42.510 -0.016 0.000 2.206 202 c HN 0.932 nan 8.230 nan 0.000 0.486 203 S N 1.263 117.140 115.700 0.296 0.000 2.603 203 S HA -0.068 4.401 4.470 -0.000 0.000 0.220 203 S C 1.619 176.439 174.600 0.368 0.000 0.967 203 S CA -0.215 58.202 58.200 0.362 0.000 0.920 203 S CB -0.179 63.319 63.200 0.498 0.000 0.773 203 S HN 0.925 nan 8.310 nan 0.000 0.529 204 W N 4.188 125.281 121.300 -0.345 0.000 2.288 204 W HA -0.244 4.415 4.660 -0.000 0.000 0.346 204 W C -1.625 174.852 176.519 -0.071 0.000 1.402 204 W CA 2.083 59.108 57.345 -0.534 0.000 1.311 204 W CB -2.047 26.833 29.460 -0.966 0.000 1.100 204 W HN 0.252 nan 8.180 nan 0.000 0.468 205 P HA -0.050 nan 4.420 nan 0.000 0.223 205 P C 1.457 178.980 177.300 0.371 0.000 1.151 205 P CA 2.791 65.940 63.100 0.081 0.000 0.787 205 P CB -0.471 31.232 31.700 0.005 0.000 0.788 206 A N -0.653 122.354 122.820 0.311 0.000 1.933 206 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 206 A C 1.860 179.450 177.584 0.010 0.000 1.175 206 A CA 1.273 53.381 52.037 0.119 0.000 0.628 206 A CB -1.735 17.197 19.000 -0.113 0.000 0.814 206 A HN 0.164 nan 8.150 nan 0.000 0.444 207 Y N -1.912 118.541 120.300 0.254 0.000 2.511 207 Y HA 0.222 4.772 4.550 -0.000 0.000 0.279 207 Y C 2.174 178.270 175.900 0.327 0.000 1.157 207 Y CA 0.939 59.191 58.100 0.254 0.000 1.300 207 Y CB -0.109 38.461 38.460 0.183 0.000 1.052 207 Y HN 0.351 nan 8.280 nan 0.000 0.529 208 M N -1.870 117.979 119.600 0.415 0.000 2.412 208 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 208 M C 1.481 177.992 176.300 0.351 0.000 1.122 208 M CA 1.231 56.724 55.300 0.322 0.000 1.179 208 M CB -0.135 32.545 32.600 0.135 0.000 1.335 208 M HN 0.308 nan 8.290 nan 0.000 0.465 209 W N 1.253 122.699 121.300 0.244 0.000 2.290 209 W HA -0.237 4.422 4.660 -0.000 0.000 0.318 209 W C -0.862 175.771 176.519 0.189 0.000 1.248 209 W CA 1.740 59.230 57.345 0.241 0.000 1.263 209 W CB -1.863 27.782 29.460 0.309 0.000 1.147 209 W HN 0.249 nan 8.180 nan 0.000 0.494 210 P HA -0.177 nan 4.420 nan 0.000 0.219 210 P C 0.907 178.086 177.300 -0.201 0.000 1.146 210 P CA 1.746 64.844 63.100 -0.003 0.000 0.808 210 P CB -0.264 31.271 31.700 -0.275 0.000 0.779 211 F N -2.111 117.925 119.950 0.142 0.000 2.490 211 F HA 0.231 4.757 4.527 -0.000 0.000 0.280 211 F C 1.313 177.143 175.800 0.050 0.000 1.030 211 F CA 0.216 58.269 58.000 0.087 0.000 1.367 211 F CB -0.046 38.998 39.000 0.073 0.000 1.131 211 F HN -0.267 nan 8.300 nan 0.000 0.632 212 Q N 0.008 119.940 119.800 0.220 0.000 2.456 212 Q HA 0.364 4.704 4.340 -0.000 0.000 0.283 212 Q C -1.188 174.710 176.000 -0.170 0.000 1.084 212 Q CA -1.095 54.729 55.803 0.034 0.000 0.801 212 Q CB 2.591 31.341 28.738 0.021 0.000 1.434 212 Q HN -0.039 nan 8.270 nan 0.000 0.419 213 K N 1.937 122.176 120.400 -0.269 0.000 2.383 213 K HA 0.246 4.566 4.320 -0.000 0.000 0.286 213 K C -2.354 173.928 176.600 -0.530 0.000 1.051 213 K CA -1.263 54.695 56.287 -0.550 0.000 0.974 213 K CB 0.000 32.290 32.500 -0.351 0.000 0.968 213 K HN 0.225 nan 8.250 nan 0.000 0.475 214 P HA -0.005 nan 4.420 nan 0.000 0.272 214 P C -0.797 176.093 177.300 -0.684 0.000 1.223 214 P CA -0.427 62.211 63.100 -0.771 0.000 0.784 214 P CB 0.487 31.506 31.700 -1.136 0.000 0.923 215 N N 1.479 119.813 118.700 -0.609 0.000 2.521 215 N HA 0.066 4.806 4.740 -0.000 0.000 0.236 215 N C 0.205 175.357 175.510 -0.597 0.000 1.067 215 N CA -0.017 52.769 53.050 -0.441 0.000 0.939 215 N CB -0.227 38.093 38.487 -0.277 0.000 1.201 215 N HN 0.287 nan 8.380 nan 0.000 0.511 216 Y N 1.361 121.425 120.300 -0.392 0.000 2.421 216 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 216 Y C 2.241 177.882 175.900 -0.431 0.000 1.136 216 Y CA 0.993 58.793 58.100 -0.500 0.000 1.255 216 Y CB 0.023 38.285 38.460 -0.331 0.000 0.991 216 Y HN 0.423 nan 8.280 nan 0.000 0.552 217 T N -0.493 113.971 114.554 -0.150 0.000 2.746 217 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 217 T C 1.787 176.396 174.700 -0.152 0.000 1.039 217 T CA 1.624 63.650 62.100 -0.124 0.000 1.142 217 T CB -0.142 68.681 68.868 -0.076 0.000 0.866 217 T HN 0.439 nan 8.240 nan 0.000 0.444 218 E N 0.436 120.525 120.200 -0.184 0.000 2.047 218 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 218 E C 2.188 178.704 176.600 -0.139 0.000 0.987 218 E CA 0.833 57.183 56.400 -0.084 0.000 0.799 218 E CB -0.172 29.486 29.700 -0.070 0.000 0.752 218 E HN 0.457 nan 8.360 nan 0.000 0.449 219 I N 0.883 121.086 120.570 -0.612 0.000 2.208 219 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 219 I C 2.832 178.705 176.117 -0.407 0.000 1.097 219 I CA 1.294 62.099 61.300 -0.826 0.000 1.363 219 I CB -0.310 36.878 38.000 -1.353 0.000 1.051 219 I HN 0.115 nan 8.210 nan 0.000 0.413 220 R N 1.003 121.222 120.500 -0.468 0.000 2.120 220 R HA -0.238 4.102 4.340 -0.000 0.000 0.234 220 R C 2.285 178.577 176.300 -0.014 0.000 1.123 220 R CA 1.597 57.585 56.100 -0.187 0.000 0.975 220 R CB -0.308 29.922 30.300 -0.117 0.000 0.866 220 R HN 0.411 nan 8.270 nan 0.000 0.446 221 Q N -0.632 119.120 119.800 -0.080 0.000 2.170 221 Q HA -0.198 4.142 4.340 -0.000 0.000 0.203 221 Q C 0.712 176.566 176.000 -0.243 0.000 0.976 221 Q CA 1.677 57.357 55.803 -0.205 0.000 0.858 221 Q CB 0.076 28.596 28.738 -0.363 0.000 0.907 221 Q HN 0.543 nan 8.270 nan 0.000 0.433 222 Y N -1.955 118.453 120.300 0.179 0.000 2.462 222 Y HA 0.217 4.767 4.550 -0.000 0.000 0.253 222 Y C 0.426 176.585 175.900 0.433 0.000 1.095 222 Y CA -0.553 57.732 58.100 0.308 0.000 1.283 222 Y CB 0.908 39.627 38.460 0.431 0.000 1.138 222 Y HN 0.031 nan 8.280 nan 0.000 0.522 223 c N -0.183 118.698 118.600 0.468 0.000 2.634 223 c HA 0.251 4.821 4.570 -0.000 0.000 0.313 223 c C 1.161 175.487 174.090 0.393 0.000 1.198 223 c CA -0.957 55.628 56.329 0.427 0.000 1.605 223 c CB 1.392 44.136 42.510 0.391 0.000 2.196 223 c HN 0.438 nan 8.230 nan 0.000 0.486 224 N N -0.296 118.539 118.700 0.226 0.000 2.333 224 N HA 0.055 4.795 4.740 -0.000 0.000 0.178 224 N C -0.237 175.339 175.510 0.110 0.000 1.018 224 N CA 0.866 53.996 53.050 0.132 0.000 0.882 224 N CB 0.124 38.640 38.487 0.049 0.000 0.984 224 N HN 0.890 nan 8.380 nan 0.000 0.434 225 H N -2.913 116.267 119.070 0.183 0.000 3.017 225 H HA 0.513 5.069 4.556 -0.000 0.000 0.346 225 H C -1.854 173.570 175.328 0.161 0.000 1.286 225 H CA -1.495 54.498 56.048 -0.092 0.000 1.120 225 H CB 0.333 30.078 29.762 -0.028 0.000 1.860 225 H HN 0.119 nan 8.280 nan 0.000 0.542 226 W N -0.093 121.399 121.300 0.321 0.000 3.211 226 W HA 0.614 5.274 4.660 -0.000 0.000 0.335 226 W C -1.197 175.464 176.519 0.237 0.000 1.113 226 W CA -1.242 56.235 57.345 0.220 0.000 1.235 226 W CB 1.140 30.701 29.460 0.169 0.000 1.365 226 W HN 0.367 nan 8.180 nan 0.000 0.476 227 R N 2.986 123.700 120.500 0.357 0.000 2.401 227 R HA 0.102 4.442 4.340 -0.000 0.000 0.299 227 R C 0.388 176.864 176.300 0.293 0.000 1.064 227 R CA 0.042 56.292 56.100 0.250 0.000 1.000 227 R CB 0.693 31.102 30.300 0.182 0.000 0.973 227 R HN 0.664 nan 8.270 nan 0.000 0.438 228 N N 1.119 119.953 118.700 0.224 0.000 2.415 228 N HA 0.021 4.760 4.740 -0.000 0.000 0.174 228 N C -0.139 175.259 175.510 -0.187 0.000 1.048 228 N CA 0.629 53.798 53.050 0.199 0.000 0.895 228 N CB 0.271 38.900 38.487 0.237 0.000 1.036 228 N HN 0.332 nan 8.380 nan 0.000 0.449 229 F N 0.224 119.875 119.950 -0.498 0.000 2.824 229 F HA 0.653 5.180 4.527 -0.000 0.000 0.330 229 F C -0.833 174.733 175.800 -0.389 0.000 1.175 229 F CA -1.534 56.020 58.000 -0.742 0.000 0.974 229 F CB 0.468 38.764 39.000 -1.174 0.000 1.430 229 F HN -0.132 nan 8.300 nan 0.000 0.507 230 A N 1.570 123.612 122.820 -1.297 0.000 2.492 230 A HA 0.240 4.560 4.320 -0.000 0.000 0.236 230 A C -0.656 176.676 177.584 -0.420 0.000 1.078 230 A CA -0.117 51.420 52.037 -0.834 0.000 0.773 230 A CB -0.422 17.975 19.000 -1.005 0.000 1.023 230 A HN 0.585 nan 8.150 nan 0.000 0.504 231 D N 0.504 120.765 120.400 -0.232 0.000 2.458 231 D HA 0.146 4.786 4.640 -0.000 0.000 0.243 231 D C 0.373 176.652 176.300 -0.035 0.000 1.146 231 D CA 0.462 54.424 54.000 -0.063 0.000 0.877 231 D CB 0.429 41.247 40.800 0.031 0.000 1.176 231 D HN 0.478 nan 8.370 nan 0.000 0.461 232 I N 1.814 122.408 120.570 0.040 0.000 2.836 232 I HA -0.019 4.151 4.170 -0.000 0.000 0.285 232 I C 0.359 176.503 176.117 0.045 0.000 1.174 232 I CA 0.083 61.418 61.300 0.058 0.000 1.405 232 I CB 0.533 38.596 38.000 0.106 0.000 1.385 232 I HN 0.437 nan 8.210 nan 0.000 0.594 233 D N 3.863 124.277 120.400 0.024 0.000 2.714 233 D HA 0.192 4.832 4.640 -0.000 0.000 0.278 233 D C -0.984 175.322 176.300 0.009 0.000 1.102 233 D CA -0.554 53.454 54.000 0.013 0.000 1.108 233 D CB 0.456 41.261 40.800 0.007 0.000 1.444 233 D HN 0.271 nan 8.370 nan 0.000 0.568 234 D N -0.473 119.933 120.400 0.011 0.000 2.713 234 D HA 0.295 4.935 4.640 -0.000 0.000 0.229 234 D C -0.947 175.383 176.300 0.050 0.000 1.136 234 D CA 0.022 54.038 54.000 0.026 0.000 1.010 234 D CB -0.826 40.006 40.800 0.054 0.000 1.084 234 D HN 0.470 nan 8.370 nan 0.000 0.495 235 S N 0.315 116.050 115.700 0.058 0.000 2.547 235 S HA 0.166 4.636 4.470 -0.000 0.000 0.270 235 S C 0.633 175.329 174.600 0.159 0.000 1.150 235 S CA -1.069 57.191 58.200 0.100 0.000 0.850 235 S CB 0.505 63.748 63.200 0.070 0.000 1.118 235 S HN 0.378 nan 8.310 nan 0.000 0.461 236 W N 2.840 124.132 121.300 -0.014 0.000 2.388 236 W HA -0.096 4.563 4.660 -0.001 0.000 0.294 236 W C 1.663 178.188 176.519 0.009 0.000 1.212 236 W CA 1.548 58.884 57.345 -0.014 0.000 1.271 236 W CB -0.117 29.334 29.460 -0.016 0.000 1.126 236 W HN 0.973 nan 8.180 nan 0.000 0.535 237 K N 0.614 120.960 120.400 -0.089 0.000 2.044 237 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 237 K C 2.350 178.854 176.600 -0.161 0.000 1.049 237 K CA 2.137 58.307 56.287 -0.194 0.000 0.927 237 K CB -0.694 31.770 32.500 -0.060 0.000 0.713 237 K HN 0.039 nan 8.250 nan 0.000 0.443 238 S N 0.563 116.226 115.700 -0.061 0.000 2.359 238 S HA -0.132 4.337 4.470 -0.000 0.000 0.224 238 S C 1.973 176.577 174.600 0.005 0.000 1.035 238 S CA 1.406 59.598 58.200 -0.013 0.000 1.018 238 S CB -0.287 62.920 63.200 0.012 0.000 0.876 238 S HN 0.380 nan 8.310 nan 0.000 0.448 239 I N 0.982 121.532 120.570 -0.033 0.000 2.226 239 I HA -0.184 3.985 4.170 -0.000 0.000 0.245 239 I C 2.594 178.642 176.117 -0.115 0.000 1.100 239 I CA 1.282 62.587 61.300 0.008 0.000 1.374 239 I CB -0.318 37.710 38.000 0.046 0.000 1.057 239 I HN 0.303 nan 8.210 nan 0.000 0.413 240 K N 0.678 120.814 120.400 -0.441 0.000 2.057 240 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 240 K C 2.329 178.848 176.600 -0.135 0.000 1.049 240 K CA 1.897 57.919 56.287 -0.442 0.000 0.931 240 K CB -0.212 31.878 32.500 -0.684 0.000 0.714 240 K HN 0.405 nan 8.250 nan 0.000 0.440 241 S N 1.114 116.786 115.700 -0.047 0.000 2.383 241 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 241 S C 2.043 176.767 174.600 0.207 0.000 1.026 241 S CA 0.854 59.119 58.200 0.108 0.000 0.981 241 S CB -0.506 62.806 63.200 0.187 0.000 0.818 241 S HN 0.188 nan 8.310 nan 0.000 0.472 242 I N 1.398 122.115 120.570 0.245 0.000 2.252 242 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 242 I C 2.475 178.685 176.117 0.155 0.000 1.102 242 I CA 1.114 62.572 61.300 0.263 0.000 1.385 242 I CB -0.399 37.798 38.000 0.328 0.000 1.064 242 I HN 0.271 nan 8.210 nan 0.000 0.414 243 L N 0.204 121.506 121.223 0.132 0.000 2.017 243 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 243 L C 2.179 179.196 176.870 0.245 0.000 1.073 243 L CA 1.307 56.243 54.840 0.161 0.000 0.745 243 L CB -0.712 41.395 42.059 0.079 0.000 0.894 243 L HN 0.243 nan 8.230 nan 0.000 0.432 244 D N -0.898 119.582 120.400 0.134 0.000 2.117 244 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 244 D C 1.733 178.047 176.300 0.023 0.000 0.987 244 D CA 1.053 55.104 54.000 0.085 0.000 0.829 244 D CB -0.238 40.573 40.800 0.019 0.000 0.961 244 D HN 0.398 nan 8.370 nan 0.000 0.460 245 W N 1.521 122.656 121.300 -0.276 0.000 2.358 245 W HA -0.185 4.475 4.660 -0.000 0.000 0.303 245 W C 2.173 178.512 176.519 -0.299 0.000 1.208 245 W CA 1.931 58.971 57.345 -0.507 0.000 1.274 245 W CB -0.295 28.367 29.460 -1.330 0.000 1.138 245 W HN -0.159 nan 8.180 nan 0.000 0.515 246 T N -0.289 114.335 114.554 0.117 0.000 2.737 246 T HA -0.234 4.116 4.350 -0.000 0.000 0.265 246 T C 2.020 176.677 174.700 -0.071 0.000 1.038 246 T CA 2.252 64.407 62.100 0.091 0.000 1.144 246 T CB -0.860 68.167 68.868 0.266 0.000 0.866 246 T HN 0.317 nan 8.240 nan 0.000 0.434 247 S N 1.310 117.020 115.700 0.016 0.000 2.383 247 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 247 S C 1.856 176.345 174.600 -0.185 0.000 1.026 247 S CA 0.585 58.684 58.200 -0.169 0.000 0.981 247 S CB -0.926 62.169 63.200 -0.175 0.000 0.818 247 S HN 0.414 nan 8.310 nan 0.000 0.472 248 F N 3.309 123.074 119.950 -0.308 0.000 2.134 248 F HA 0.071 4.598 4.527 -0.000 0.000 0.299 248 F C 1.675 177.224 175.800 -0.419 0.000 1.097 248 F CA 1.361 59.155 58.000 -0.344 0.000 1.264 248 F CB -0.245 38.526 39.000 -0.382 0.000 1.001 248 F HN 0.215 nan 8.300 nan 0.000 0.479 249 N N 0.620 119.008 118.700 -0.520 0.000 2.251 249 N HA -0.018 4.722 4.740 -0.000 0.000 0.217 249 N C 1.451 176.732 175.510 -0.382 0.000 1.124 249 N CA 0.391 53.091 53.050 -0.584 0.000 0.843 249 N CB 0.030 37.849 38.487 -1.114 0.000 1.024 249 N HN 0.625 nan 8.380 nan 0.000 0.501 250 Q N 0.596 120.209 119.800 -0.312 0.000 2.224 250 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 250 Q C 0.958 176.855 176.000 -0.172 0.000 0.970 250 Q CA 1.142 56.824 55.803 -0.202 0.000 0.865 250 Q CB -0.171 28.456 28.738 -0.185 0.000 0.922 250 Q HN 0.294 nan 8.270 nan 0.000 0.445 251 E N 0.693 120.774 120.200 -0.198 0.000 2.268 251 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 251 E C 1.976 178.509 176.600 -0.112 0.000 0.995 251 E CA 0.575 56.879 56.400 -0.160 0.000 0.836 251 E CB 0.103 29.701 29.700 -0.170 0.000 0.763 251 E HN 0.377 nan 8.360 nan 0.000 0.491 252 R N 0.196 120.640 120.500 -0.092 0.000 2.161 252 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 252 R C 2.343 178.568 176.300 -0.125 0.000 1.055 252 R CA 0.867 56.951 56.100 -0.027 0.000 0.996 252 R CB 0.146 30.526 30.300 0.133 0.000 0.901 252 R HN 0.281 nan 8.270 nan 0.000 0.456 253 I N -4.462 116.009 120.570 -0.165 0.000 4.312 253 I HA 0.129 4.299 4.170 -0.000 0.000 0.324 253 I C 1.447 177.513 176.117 -0.086 0.000 1.298 253 I CA 0.080 61.224 61.300 -0.259 0.000 1.231 253 I CB 0.216 38.112 38.000 -0.174 0.000 1.152 253 I HN -0.243 nan 8.210 nan 0.000 0.421 254 V N 2.390 122.279 119.914 -0.042 0.000 2.307 254 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 254 V C 2.071 178.185 176.094 0.035 0.000 1.045 254 V CA 2.392 64.708 62.300 0.026 0.000 1.024 254 V CB -0.723 31.120 31.823 0.034 0.000 0.651 254 V HN 0.416 nan 8.190 nan 0.000 0.449 255 D N -0.172 120.225 120.400 -0.005 0.000 2.269 255 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 255 D C 2.077 178.386 176.300 0.015 0.000 0.963 255 D CA 1.362 55.363 54.000 0.001 0.000 0.864 255 D CB -0.070 40.715 40.800 -0.025 0.000 0.936 255 D HN 0.445 nan 8.370 nan 0.000 0.505 256 V N 0.030 119.957 119.914 0.022 0.000 2.667 256 V HA 0.090 4.210 4.120 -0.000 0.000 0.252 256 V C 0.967 177.138 176.094 0.128 0.000 1.065 256 V CA 0.913 63.251 62.300 0.063 0.000 1.083 256 V CB -0.522 31.339 31.823 0.062 0.000 0.692 256 V HN 0.069 nan 8.190 nan 0.000 0.468 257 A N -0.165 122.734 122.820 0.131 0.000 2.407 257 A HA 0.704 5.024 4.320 -0.000 0.000 0.248 257 A C 0.548 178.081 177.584 -0.084 0.000 1.082 257 A CA 0.549 52.630 52.037 0.072 0.000 0.785 257 A CB -0.136 18.955 19.000 0.151 0.000 1.020 257 A HN 1.659 nan 8.150 nan 0.000 0.489 258 G N 0.340 108.870 108.800 -0.450 0.000 2.316 258 G HA2 0.464 4.424 3.960 -0.000 0.000 0.296 258 G HA3 0.464 4.424 3.960 -0.000 0.000 0.296 258 G C -3.532 170.731 174.900 -1.061 0.000 1.399 258 G CA -0.823 43.971 45.100 -0.510 0.000 0.833 258 G HN 0.483 nan 8.290 nan 0.000 0.565 259 P HA 0.272 nan 4.420 nan 0.000 0.258 259 P C 1.098 178.197 177.300 -0.336 0.000 1.172 259 P CA 2.365 65.290 63.100 -0.292 0.000 0.762 259 P CB 0.644 32.340 31.700 -0.007 0.000 0.764 260 G N 2.427 111.047 108.800 -0.300 0.000 2.194 260 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.236 260 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.236 260 G C 0.332 175.098 174.900 -0.224 0.000 0.987 260 G CA -0.288 44.729 45.100 -0.138 0.000 0.635 260 G HN 0.932 nan 8.290 nan 0.000 0.520 261 G N -0.659 107.742 108.800 -0.663 0.000 2.417 261 G HA2 0.517 4.476 3.960 -0.000 0.000 0.282 261 G HA3 0.517 4.476 3.960 -0.000 0.000 0.282 261 G C -0.815 173.592 174.900 -0.823 0.000 1.388 261 G CA -0.459 44.435 45.100 -0.343 0.000 1.276 261 G HN 0.480 nan 8.290 nan 0.000 0.602 262 W N 1.280 122.206 121.300 -0.623 0.000 2.761 262 W HA 0.475 5.135 4.660 -0.000 0.000 0.340 262 W C 0.111 175.896 176.519 -1.223 0.000 1.072 262 W CA -1.164 55.798 57.345 -0.637 0.000 1.215 262 W CB 1.544 30.808 29.460 -0.328 0.000 1.420 262 W HN 0.241 nan 8.180 nan 0.000 0.519 263 N N 2.249 120.685 118.700 -0.440 0.000 2.513 263 N HA -0.004 4.736 4.740 -0.000 0.000 0.268 263 N C -1.071 174.309 175.510 -0.217 0.000 1.180 263 N CA 0.380 53.218 53.050 -0.353 0.000 0.948 263 N CB 0.885 39.386 38.487 0.023 0.000 1.083 263 N HN 0.396 nan 8.380 nan 0.000 0.455 264 D N 2.128 122.443 120.400 -0.143 0.000 2.453 264 D HA 0.250 4.890 4.640 -0.000 0.000 0.238 264 D C -1.969 174.337 176.300 0.011 0.000 1.088 264 D CA -2.017 51.962 54.000 -0.037 0.000 0.854 264 D CB 1.504 42.347 40.800 0.072 0.000 1.076 264 D HN 0.249 nan 8.370 nan 0.000 0.533 265 P HA 0.168 nan 4.420 nan 0.000 0.257 265 P C -0.337 177.081 177.300 0.197 0.000 1.281 265 P CA 0.035 63.099 63.100 -0.060 0.000 0.826 265 P CB 0.440 31.844 31.700 -0.492 0.000 1.237 266 D N -1.334 119.219 120.400 0.255 0.000 8.377 266 D HA -0.101 4.538 4.640 -0.000 0.000 0.332 266 D C -0.318 176.248 176.300 0.443 0.000 2.717 266 D CA -0.008 54.174 54.000 0.302 0.000 2.017 266 D CB -1.020 39.913 40.800 0.223 0.000 1.168 266 D HN -0.114 nan 8.370 nan 0.000 1.135 267 M N 0.640 120.404 119.600 0.273 0.000 2.240 267 M HA 0.251 4.731 4.480 -0.000 0.000 0.333 267 M C 0.293 176.603 176.300 0.017 0.000 1.110 267 M CA -0.112 55.300 55.300 0.185 0.000 1.173 267 M CB 0.314 32.963 32.600 0.082 0.000 1.458 267 M HN 0.206 nan 8.290 nan 0.000 0.458 268 L N 2.615 123.793 121.223 -0.076 0.000 2.410 268 L HA 0.076 4.416 4.340 -0.000 0.000 0.273 268 L C 0.810 177.565 176.870 -0.192 0.000 1.144 268 L CA -0.476 54.201 54.840 -0.272 0.000 0.863 268 L CB 0.366 42.314 42.059 -0.185 0.000 1.140 268 L HN 0.670 nan 8.230 nan 0.000 0.463 269 V N 1.382 121.162 119.914 -0.224 0.000 3.214 269 V HA 0.274 4.393 4.120 -0.000 0.000 0.330 269 V C 0.753 176.760 176.094 -0.146 0.000 1.403 269 V CA -0.359 61.848 62.300 -0.155 0.000 1.143 269 V CB -0.494 31.259 31.823 -0.116 0.000 1.098 269 V HN 0.509 nan 8.190 nan 0.000 0.463 270 I N 2.738 123.214 120.570 -0.156 0.000 2.710 270 I HA 0.452 4.622 4.170 -0.000 0.000 0.286 270 I C 1.568 177.639 176.117 -0.076 0.000 1.181 270 I CA 1.755 62.990 61.300 -0.108 0.000 1.430 270 I CB 0.463 38.408 38.000 -0.092 0.000 1.367 270 I HN 0.511 nan 8.210 nan 0.000 0.577 271 G N 3.599 112.365 108.800 -0.058 0.000 2.175 271 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.244 271 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.244 271 G C 0.398 175.162 174.900 -0.228 0.000 0.982 271 G CA -0.125 44.931 45.100 -0.074 0.000 0.641 271 G HN 0.598 nan 8.290 nan 0.000 0.527 272 N N -0.640 117.885 118.700 -0.291 0.000 2.725 272 N HA 0.635 5.374 4.740 -0.000 0.000 0.285 272 N C 1.032 176.150 175.510 -0.654 0.000 1.353 272 N CA 0.474 53.169 53.050 -0.592 0.000 0.805 272 N CB -0.171 38.129 38.487 -0.311 0.000 1.114 272 N HN 0.090 nan 8.380 nan 0.000 0.441 273 F N -0.966 118.963 119.950 -0.034 0.000 2.740 273 F HA 0.384 4.911 4.527 -0.001 0.000 0.304 273 F C 1.961 177.753 175.800 -0.014 0.000 1.098 273 F CA -0.222 57.762 58.000 -0.026 0.000 1.258 273 F CB 0.025 38.999 39.000 -0.044 0.000 1.061 273 F HN 0.406 nan 8.300 nan 0.000 0.598 274 G N 0.418 109.306 108.800 0.146 0.000 3.126 274 G HA2 0.326 4.286 3.960 -0.000 0.000 0.224 274 G HA3 0.326 4.286 3.960 -0.000 0.000 0.224 274 G C 0.242 175.186 174.900 0.074 0.000 1.142 274 G CA 0.074 45.237 45.100 0.106 0.000 0.759 274 G HN 0.046 nan 8.290 nan 0.000 0.550 275 L N 2.000 123.248 121.223 0.042 0.000 2.322 275 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 275 L C 0.690 177.556 176.870 -0.006 0.000 1.014 275 L CA -0.872 53.974 54.840 0.011 0.000 0.815 275 L CB 2.056 44.104 42.059 -0.018 0.000 1.247 275 L HN 0.150 nan 8.230 nan 0.000 0.421 276 S N 1.587 117.256 115.700 -0.051 0.000 2.596 276 S HA -0.019 4.451 4.470 -0.000 0.000 0.260 276 S C 1.011 175.613 174.600 0.004 0.000 1.336 276 S CA -0.472 57.712 58.200 -0.027 0.000 0.993 276 S CB 0.685 63.827 63.200 -0.096 0.000 0.923 276 S HN 0.891 nan 8.310 nan 0.000 0.567 277 W N 2.220 123.459 121.300 -0.101 0.000 2.338 277 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 277 W C 1.490 177.941 176.519 -0.113 0.000 1.212 277 W CA 1.786 59.077 57.345 -0.090 0.000 1.264 277 W CB -0.600 28.819 29.460 -0.068 0.000 1.142 277 W HN 0.745 nan 8.180 nan 0.000 0.512 278 N N 0.590 119.128 118.700 -0.270 0.000 2.120 278 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 278 N C 1.661 176.888 175.510 -0.472 0.000 1.024 278 N CA 1.888 54.698 53.050 -0.400 0.000 0.852 278 N CB -0.729 37.607 38.487 -0.251 0.000 1.003 278 N HN 0.454 nan 8.380 nan 0.000 0.424 279 Q N 0.840 120.357 119.800 -0.472 0.000 2.167 279 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 279 Q C 2.000 177.827 176.000 -0.288 0.000 0.970 279 Q CA 0.973 56.489 55.803 -0.479 0.000 0.855 279 Q CB -0.013 28.444 28.738 -0.469 0.000 0.911 279 Q HN 0.453 nan 8.270 nan 0.000 0.438 280 Q N -0.291 119.305 119.800 -0.340 0.000 2.079 280 Q HA -0.124 4.215 4.340 -0.000 0.000 0.200 280 Q C 2.194 177.916 176.000 -0.462 0.000 0.974 280 Q CA 1.354 56.943 55.803 -0.357 0.000 0.840 280 Q CB 0.032 28.574 28.738 -0.326 0.000 0.898 280 Q HN 0.214 nan 8.270 nan 0.000 0.430 281 V N 0.533 120.043 119.914 -0.674 0.000 2.343 281 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 281 V C 2.159 178.073 176.094 -0.299 0.000 1.051 281 V CA 2.139 64.111 62.300 -0.547 0.000 1.036 281 V CB -0.775 30.674 31.823 -0.624 0.000 0.654 281 V HN 0.441 nan 8.190 nan 0.000 0.451 282 T N -0.843 113.558 114.554 -0.256 0.000 2.720 282 T HA -0.298 4.052 4.350 -0.000 0.000 0.268 282 T C 1.909 176.569 174.700 -0.067 0.000 1.037 282 T CA 1.992 64.023 62.100 -0.115 0.000 1.144 282 T CB -0.213 68.644 68.868 -0.019 0.000 0.864 282 T HN 0.543 nan 8.240 nan 0.000 0.444 283 Q N -0.225 119.495 119.800 -0.133 0.000 2.079 283 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 283 Q C 2.320 178.213 176.000 -0.179 0.000 0.974 283 Q CA 1.333 56.981 55.803 -0.259 0.000 0.840 283 Q CB -0.166 28.245 28.738 -0.544 0.000 0.898 283 Q HN 0.349 nan 8.270 nan 0.000 0.430 284 M N 0.345 119.840 119.600 -0.174 0.000 2.067 284 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 284 M C 1.961 178.265 176.300 0.008 0.000 1.069 284 M CA 2.024 57.276 55.300 -0.079 0.000 1.117 284 M CB -0.623 31.922 32.600 -0.092 0.000 1.334 284 M HN 0.270 nan 8.290 nan 0.000 0.407 285 A N -0.060 122.740 122.820 -0.034 0.000 1.883 285 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 285 A C 2.083 179.665 177.584 -0.004 0.000 1.186 285 A CA 1.715 53.737 52.037 -0.025 0.000 0.624 285 A CB -1.067 17.896 19.000 -0.063 0.000 0.822 285 A HN 0.527 nan 8.150 nan 0.000 0.444 286 L N -1.909 119.322 121.223 0.013 0.000 2.217 286 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 286 L C 2.383 179.300 176.870 0.079 0.000 1.107 286 L CA 0.995 55.797 54.840 -0.063 0.000 0.783 286 L CB -1.247 40.693 42.059 -0.198 0.000 0.919 286 L HN 0.663 nan 8.230 nan 0.000 0.442 287 W N 0.002 121.218 121.300 -0.139 0.000 2.402 287 W HA -0.148 4.512 4.660 -0.000 0.000 0.286 287 W C 2.391 178.849 176.519 -0.103 0.000 1.221 287 W CA 0.750 58.035 57.345 -0.100 0.000 1.257 287 W CB 0.109 29.525 29.460 -0.074 0.000 1.120 287 W HN 0.179 nan 8.180 nan 0.000 0.551 288 A N 0.402 123.285 122.820 0.106 0.000 1.873 288 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 288 A C 1.795 179.367 177.584 -0.020 0.000 1.186 288 A CA 1.195 53.239 52.037 0.011 0.000 0.616 288 A CB -0.948 18.058 19.000 0.010 0.000 0.823 288 A HN 0.068 nan 8.150 nan 0.000 0.442 289 I N -0.372 120.193 120.570 -0.008 0.000 2.264 289 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 289 I C 2.238 178.371 176.117 0.028 0.000 1.111 289 I CA 1.594 62.902 61.300 0.014 0.000 1.382 289 I CB -0.857 37.161 38.000 0.031 0.000 1.060 289 I HN 0.387 nan 8.210 nan 0.000 0.418 290 M N -0.100 119.482 119.600 -0.031 0.000 2.618 290 M HA 0.132 4.612 4.480 -0.000 0.000 0.240 290 M C 1.040 177.305 176.300 -0.058 0.000 1.123 290 M CA 0.343 55.621 55.300 -0.037 0.000 1.060 290 M CB -0.016 32.466 32.600 -0.197 0.000 1.535 290 M HN 0.281 nan 8.290 nan 0.000 0.507 291 A N 1.029 123.796 122.820 -0.089 0.000 2.745 291 A HA -0.115 4.205 4.320 -0.000 0.000 0.296 291 A C 0.493 177.904 177.584 -0.288 0.000 1.500 291 A CA 0.603 52.533 52.037 -0.179 0.000 0.766 291 A CB -2.163 16.831 19.000 -0.009 0.000 1.030 291 A HN 0.641 nan 8.150 nan 0.000 0.489 292 A N -0.143 122.510 122.820 -0.278 0.000 2.340 292 A HA 0.679 4.999 4.320 -0.000 0.000 0.268 292 A C -1.790 175.591 177.584 -0.338 0.000 1.100 292 A CA -1.378 50.478 52.037 -0.302 0.000 0.803 292 A CB 0.073 18.819 19.000 -0.422 0.000 1.043 292 A HN 0.377 nan 8.150 nan 0.000 0.488 293 P HA 0.141 nan 4.420 nan 0.000 0.266 293 P C -0.883 176.269 177.300 -0.247 0.000 1.195 293 P CA 0.423 63.244 63.100 -0.464 0.000 0.768 293 P CB 0.261 31.666 31.700 -0.492 0.000 0.838 294 L N 3.849 124.856 121.223 -0.360 0.000 2.360 294 L HA 0.378 4.718 4.340 -0.000 0.000 0.265 294 L C -0.297 176.502 176.870 -0.118 0.000 1.066 294 L CA -0.261 54.528 54.840 -0.085 0.000 0.929 294 L CB -0.424 41.619 42.059 -0.027 0.000 1.306 294 L HN 0.297 nan 8.230 nan 0.000 0.434 295 F N 2.422 122.466 119.950 0.156 0.000 2.313 295 F HA 0.398 4.924 4.527 -0.001 0.000 0.369 295 F C 0.772 176.583 175.800 0.018 0.000 1.109 295 F CA -0.579 57.494 58.000 0.120 0.000 1.132 295 F CB 1.053 40.097 39.000 0.073 0.000 1.291 295 F HN 0.342 nan 8.300 nan 0.000 0.496 296 M N 2.321 121.999 119.600 0.129 0.000 2.248 296 M HA 0.039 4.518 4.480 -0.000 0.000 0.345 296 M C 0.352 176.468 176.300 -0.306 0.000 1.243 296 M CA 0.613 55.858 55.300 -0.092 0.000 1.090 296 M CB 0.599 33.084 32.600 -0.192 0.000 1.683 296 M HN 0.423 nan 8.290 nan 0.000 0.450 297 S N 3.679 119.207 115.700 -0.285 0.000 2.664 297 S HA 0.531 5.001 4.470 -0.000 0.000 0.262 297 S C -1.171 173.313 174.600 -0.193 0.000 1.229 297 S CA -0.803 57.157 58.200 -0.400 0.000 1.151 297 S CB 0.032 63.074 63.200 -0.263 0.000 1.054 297 S HN 0.859 nan 8.310 nan 0.000 0.483 298 N N 1.809 120.501 118.700 -0.013 0.000 3.277 298 N HA 0.371 5.111 4.740 -0.000 0.000 0.278 298 N C -2.090 173.656 175.510 0.392 0.000 1.544 298 N CA -0.786 52.312 53.050 0.080 0.000 0.869 298 N CB 0.457 38.942 38.487 -0.003 0.000 1.584 298 N HN 0.190 nan 8.380 nan 0.000 0.564 299 D N 0.270 120.801 120.400 0.218 0.000 2.443 299 D HA 0.313 4.953 4.640 -0.000 0.000 0.221 299 D C 0.686 177.081 176.300 0.158 0.000 1.097 299 D CA -0.411 53.792 54.000 0.339 0.000 0.865 299 D CB 0.532 41.510 40.800 0.295 0.000 1.034 299 D HN 0.599 nan 8.370 nan 0.000 0.511 300 L N 3.059 124.308 121.223 0.043 0.000 2.362 300 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 300 L C 2.201 179.053 176.870 -0.030 0.000 1.134 300 L CA 0.641 55.439 54.840 -0.070 0.000 0.807 300 L CB -0.034 41.842 42.059 -0.305 0.000 0.927 300 L HN 0.234 nan 8.230 nan 0.000 0.447 301 R N -1.157 119.295 120.500 -0.080 0.000 2.119 301 R HA 0.021 4.361 4.340 -0.000 0.000 0.222 301 R C 0.229 176.249 176.300 -0.467 0.000 1.088 301 R CA 0.706 56.649 56.100 -0.261 0.000 0.984 301 R CB 0.079 30.200 30.300 -0.298 0.000 0.884 301 R HN 0.362 nan 8.270 nan 0.000 0.447 302 H N -0.351 118.755 119.070 0.059 0.000 2.569 302 H HA 0.330 4.886 4.556 -0.001 0.000 0.247 302 H C -1.151 174.190 175.328 0.020 0.000 1.346 302 H CA -0.394 55.679 56.048 0.042 0.000 1.502 302 H CB 0.637 30.426 29.762 0.046 0.000 1.512 302 H HN 0.059 nan 8.280 nan 0.000 0.502 303 I N 2.012 122.647 120.570 0.107 0.000 2.619 303 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 303 I C 0.143 176.308 176.117 0.081 0.000 1.100 303 I CA -0.583 60.770 61.300 0.088 0.000 1.043 303 I CB 1.662 39.745 38.000 0.139 0.000 1.239 303 I HN 0.399 nan 8.210 nan 0.000 0.420 304 S N 6.376 122.107 115.700 0.052 0.000 2.579 304 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 304 S C -1.964 172.656 174.600 0.034 0.000 1.345 304 S CA -0.664 57.553 58.200 0.029 0.000 1.031 304 S CB 0.832 64.034 63.200 0.003 0.000 0.892 304 S HN 0.529 nan 8.310 nan 0.000 0.529 305 P HA -0.124 nan 4.420 nan 0.000 0.216 305 P C 1.607 178.891 177.300 -0.027 0.000 1.150 305 P CA 1.185 64.272 63.100 -0.022 0.000 0.837 305 P CB 0.034 31.705 31.700 -0.048 0.000 0.786 306 Q N -0.856 118.901 119.800 -0.072 0.000 2.079 306 Q HA -0.103 4.236 4.340 -0.000 0.000 0.200 306 Q C 2.078 178.152 176.000 0.123 0.000 0.974 306 Q CA 1.484 57.206 55.803 -0.134 0.000 0.840 306 Q CB -0.490 27.964 28.738 -0.474 0.000 0.898 306 Q HN 0.102 nan 8.270 nan 0.000 0.430 307 A N 1.136 124.062 122.820 0.176 0.000 1.898 307 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 307 A C 1.981 179.711 177.584 0.244 0.000 1.181 307 A CA 1.570 53.765 52.037 0.263 0.000 0.620 307 A CB -0.468 18.637 19.000 0.174 0.000 0.819 307 A HN 0.288 nan 8.150 nan 0.000 0.442 308 K N -0.232 120.285 120.400 0.195 0.000 2.032 308 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 308 K C 2.169 178.792 176.600 0.039 0.000 1.048 308 K CA 1.300 57.677 56.287 0.150 0.000 0.927 308 K CB -0.338 32.172 32.500 0.016 0.000 0.712 308 K HN 0.364 nan 8.250 nan 0.000 0.441 309 A N 1.292 124.144 122.820 0.052 0.000 1.902 309 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 309 A C 2.043 179.698 177.584 0.119 0.000 1.181 309 A CA 1.326 53.392 52.037 0.049 0.000 0.623 309 A CB -0.601 18.427 19.000 0.046 0.000 0.818 309 A HN 0.386 nan 8.150 nan 0.000 0.443 310 L N -0.284 121.066 121.223 0.213 0.000 2.017 310 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 310 L C 2.256 179.219 176.870 0.157 0.000 1.073 310 L CA 1.740 56.696 54.840 0.193 0.000 0.745 310 L CB -0.537 41.639 42.059 0.195 0.000 0.894 310 L HN 0.389 nan 8.230 nan 0.000 0.432 311 L N -1.061 120.289 121.223 0.211 0.000 2.201 311 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 311 L C 2.056 179.159 176.870 0.387 0.000 1.105 311 L CA 0.963 55.990 54.840 0.312 0.000 0.775 311 L CB -0.353 41.957 42.059 0.419 0.000 0.913 311 L HN 0.419 nan 8.230 nan 0.000 0.440 312 Q N -1.116 118.808 119.800 0.207 0.000 2.247 312 Q HA 0.021 4.361 4.340 -0.000 0.000 0.204 312 Q C -0.036 176.013 176.000 0.083 0.000 0.872 312 Q CA -0.288 55.594 55.803 0.131 0.000 0.951 312 Q CB 0.320 28.992 28.738 -0.111 0.000 1.099 312 Q HN 0.229 nan 8.270 nan 0.000 0.501 313 D N 2.440 122.896 120.400 0.093 0.000 2.402 313 D HA -0.083 4.556 4.640 -0.000 0.000 0.268 313 D C 0.986 177.313 176.300 0.044 0.000 1.294 313 D CA 0.430 54.467 54.000 0.061 0.000 0.945 313 D CB 0.776 41.616 40.800 0.067 0.000 1.112 313 D HN 0.287 nan 8.370 nan 0.000 0.517 314 K N 3.107 123.522 120.400 0.026 0.000 2.147 314 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 314 K C 0.794 177.399 176.600 0.008 0.000 1.049 314 K CA 0.866 57.160 56.287 0.012 0.000 0.936 314 K CB 0.215 32.718 32.500 0.005 0.000 0.722 314 K HN 0.194 nan 8.250 nan 0.000 0.446 315 D N 1.120 121.530 120.400 0.015 0.000 2.149 315 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 315 D C 2.130 178.436 176.300 0.010 0.000 0.972 315 D CA 1.051 55.059 54.000 0.015 0.000 0.835 315 D CB 0.013 40.827 40.800 0.024 0.000 0.966 315 D HN 0.110 nan 8.370 nan 0.000 0.476 316 V N 1.251 121.174 119.914 0.015 0.000 2.346 316 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 316 V C 2.561 178.653 176.094 -0.005 0.000 1.037 316 V CA 0.792 63.099 62.300 0.010 0.000 1.029 316 V CB -0.271 31.564 31.823 0.020 0.000 0.663 316 V HN 0.131 nan 8.190 nan 0.000 0.454 317 I N 0.871 121.438 120.570 -0.006 0.000 2.208 317 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 317 I C 2.683 178.763 176.117 -0.061 0.000 1.097 317 I CA 1.606 62.879 61.300 -0.045 0.000 1.363 317 I CB -0.566 37.403 38.000 -0.053 0.000 1.051 317 I HN 0.305 nan 8.210 nan 0.000 0.413 318 A N 0.874 123.671 122.820 -0.038 0.000 1.940 318 A HA -0.193 4.126 4.320 -0.000 0.000 0.219 318 A C 2.284 179.844 177.584 -0.040 0.000 1.176 318 A CA 1.571 53.586 52.037 -0.036 0.000 0.631 318 A CB -0.774 18.216 19.000 -0.016 0.000 0.814 318 A HN 0.406 nan 8.150 nan 0.000 0.446 319 I N -0.184 120.366 120.570 -0.033 0.000 2.163 319 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 319 I C 2.565 178.643 176.117 -0.064 0.000 1.081 319 I CA 1.485 62.764 61.300 -0.036 0.000 1.353 319 I CB -0.468 37.522 38.000 -0.017 0.000 1.054 319 I HN 0.496 nan 8.210 nan 0.000 0.407 320 N N 0.842 119.494 118.700 -0.080 0.000 2.094 320 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 320 N C 1.578 176.968 175.510 -0.199 0.000 1.023 320 N CA 1.421 54.389 53.050 -0.137 0.000 0.857 320 N CB 0.066 38.471 38.487 -0.136 0.000 1.013 320 N HN 0.365 nan 8.380 nan 0.000 0.426 321 Q N 0.994 120.699 119.800 -0.158 0.000 2.365 321 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 321 Q C -0.539 175.407 176.000 -0.089 0.000 0.929 321 Q CA -0.055 55.656 55.803 -0.155 0.000 0.948 321 Q CB -0.644 28.019 28.738 -0.124 0.000 1.043 321 Q HN 0.396 nan 8.270 nan 0.000 0.505 322 D N 2.122 122.479 120.400 -0.071 0.000 2.586 322 D HA -0.077 4.563 4.640 -0.000 0.000 0.234 322 D C -1.202 175.102 176.300 0.007 0.000 1.132 322 D CA -0.766 53.215 54.000 -0.032 0.000 0.860 322 D CB 1.037 41.813 40.800 -0.039 0.000 1.159 322 D HN -0.011 nan 8.370 nan 0.000 0.490 323 P HA -0.145 nan 4.420 nan 0.000 0.220 323 P C 1.530 178.874 177.300 0.072 0.000 1.148 323 P CA 0.335 63.466 63.100 0.053 0.000 0.803 323 P CB 0.162 31.883 31.700 0.035 0.000 0.782 324 L N 0.421 121.669 121.223 0.042 0.000 2.083 324 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 324 L C 1.518 178.443 176.870 0.091 0.000 1.083 324 L CA 2.073 56.935 54.840 0.037 0.000 0.752 324 L CB -1.522 40.527 42.059 -0.016 0.000 0.899 324 L HN 0.254 nan 8.230 nan 0.000 0.433 325 G N 0.238 109.128 108.800 0.149 0.000 2.273 325 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.280 325 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.280 325 G C 0.362 175.417 174.900 0.259 0.000 1.047 325 G CA 0.544 45.847 45.100 0.340 0.000 0.869 325 G HN 0.433 nan 8.290 nan 0.000 0.502 326 K N 0.150 120.627 120.400 0.128 0.000 2.248 326 K HA 0.307 4.627 4.320 -0.000 0.000 0.281 326 K C 0.710 177.386 176.600 0.127 0.000 1.054 326 K CA -0.456 55.890 56.287 0.098 0.000 0.903 326 K CB 0.972 33.485 32.500 0.022 0.000 1.077 326 K HN 0.478 nan 8.250 nan 0.000 0.474 327 Q N 1.771 121.672 119.800 0.169 0.000 2.337 327 Q HA 0.124 4.463 4.340 -0.000 0.000 0.270 327 Q C 0.209 176.325 176.000 0.193 0.000 1.002 327 Q CA -0.157 55.749 55.803 0.171 0.000 0.888 327 Q CB 0.831 29.675 28.738 0.177 0.000 1.222 327 Q HN 0.773 nan 8.270 nan 0.000 0.400 328 G N 1.940 110.834 108.800 0.155 0.000 2.553 328 G HA2 0.401 4.361 3.960 -0.000 0.000 0.278 328 G HA3 0.401 4.361 3.960 -0.000 0.000 0.278 328 G C -1.245 173.796 174.900 0.235 0.000 1.349 328 G CA 0.005 45.173 45.100 0.114 0.000 1.037 328 G HN 0.775 nan 8.290 nan 0.000 0.508 329 Y N -4.024 116.368 120.300 0.154 0.000 2.713 329 Y HA 0.519 5.069 4.550 -0.000 0.000 0.335 329 Y C -0.551 175.106 175.900 -0.404 0.000 1.222 329 Y CA -1.381 56.655 58.100 -0.106 0.000 1.061 329 Y CB 1.029 39.419 38.460 -0.116 0.000 1.314 329 Y HN 0.571 nan 8.280 nan 0.000 0.453 330 Q N 1.776 121.084 119.800 -0.820 0.000 2.293 330 Q HA 0.250 4.589 4.340 -0.000 0.000 0.263 330 Q C -0.158 175.673 176.000 -0.281 0.000 1.002 330 Q CA -0.376 54.774 55.803 -1.088 0.000 0.910 330 Q CB 1.297 29.277 28.738 -1.263 0.000 1.185 330 Q HN 0.881 nan 8.270 nan 0.000 0.401 331 L N 5.279 126.403 121.223 -0.166 0.000 2.127 331 L HA 0.103 4.443 4.340 -0.000 0.000 0.203 331 L C 0.141 176.993 176.870 -0.029 0.000 1.080 331 L CA 1.471 56.323 54.840 0.019 0.000 0.768 331 L CB 0.104 42.175 42.059 0.020 0.000 0.924 331 L HN 0.755 nan 8.230 nan 0.000 0.444 332 R N -0.716 119.752 120.500 -0.054 0.000 2.690 332 R HA 0.540 4.880 4.340 -0.000 0.000 0.269 332 R C -1.592 174.712 176.300 0.006 0.000 1.037 332 R CA -0.782 55.308 56.100 -0.017 0.000 0.877 332 R CB 0.831 31.149 30.300 0.029 0.000 1.255 332 R HN 0.190 nan 8.270 nan 0.000 0.467 333 Q N 1.012 120.830 119.800 0.030 0.000 2.389 333 Q HA 0.804 5.144 4.340 -0.000 0.000 0.277 333 Q C -1.007 175.052 176.000 0.099 0.000 1.082 333 Q CA -0.956 54.892 55.803 0.075 0.000 0.810 333 Q CB 2.742 31.514 28.738 0.057 0.000 1.374 333 Q HN 1.034 nan 8.270 nan 0.000 0.422 334 G N 1.060 109.947 108.800 0.145 0.000 2.402 334 G HA2 0.317 4.277 3.960 -0.000 0.000 0.301 334 G HA3 0.317 4.277 3.960 -0.000 0.000 0.301 334 G C -0.976 174.057 174.900 0.223 0.000 1.615 334 G CA -0.130 45.060 45.100 0.151 0.000 0.889 334 G HN 0.845 nan 8.290 nan 0.000 0.647 335 D N 0.574 121.070 120.400 0.160 0.000 2.772 335 D HA -0.193 4.446 4.640 -0.000 0.000 0.233 335 D C 0.990 177.308 176.300 0.030 0.000 1.143 335 D CA 1.688 55.783 54.000 0.158 0.000 0.700 335 D CB -0.864 40.112 40.800 0.294 0.000 1.076 335 D HN 0.833 nan 8.370 nan 0.000 0.430 336 N N -1.370 117.317 118.700 -0.021 0.000 2.708 336 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 336 N C -0.586 174.740 175.510 -0.307 0.000 1.097 336 N CA 1.431 54.397 53.050 -0.139 0.000 0.710 336 N CB -1.340 37.034 38.487 -0.189 0.000 1.032 336 N HN 0.463 nan 8.380 nan 0.000 0.551 337 F N 0.518 120.483 119.950 0.024 0.000 2.556 337 F HA 0.474 5.001 4.527 -0.000 0.000 0.327 337 F C 0.720 176.494 175.800 -0.043 0.000 1.059 337 F CA -0.683 57.272 58.000 -0.074 0.000 0.953 337 F CB 1.671 40.530 39.000 -0.235 0.000 1.227 337 F HN -0.207 nan 8.300 nan 0.000 0.478 338 E N 0.893 121.195 120.200 0.170 0.000 2.293 338 E HA 0.584 4.934 4.350 -0.000 0.000 0.270 338 E C -1.618 175.068 176.600 0.144 0.000 0.879 338 E CA -0.919 55.596 56.400 0.191 0.000 0.756 338 E CB 3.108 33.032 29.700 0.374 0.000 1.208 338 E HN 0.207 nan 8.360 nan 0.000 0.428 339 V N 2.573 122.563 119.914 0.126 0.000 2.409 339 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 339 V C -1.136 175.060 176.094 0.169 0.000 1.020 339 V CA -0.773 61.601 62.300 0.123 0.000 0.848 339 V CB 0.519 32.370 31.823 0.047 0.000 0.990 339 V HN 0.594 nan 8.190 nan 0.000 0.430 340 W N 2.863 124.130 121.300 -0.055 0.000 2.639 340 W HA 0.767 5.427 4.660 -0.000 0.000 0.347 340 W C 0.168 176.605 176.519 -0.137 0.000 1.067 340 W CA -0.721 56.570 57.345 -0.091 0.000 1.218 340 W CB 1.379 30.802 29.460 -0.061 0.000 1.393 340 W HN 0.675 nan 8.180 nan 0.000 0.557 341 E N 0.917 121.072 120.200 -0.075 0.000 2.413 341 E HA 0.730 5.080 4.350 -0.000 0.000 0.277 341 E C -1.440 175.062 176.600 -0.164 0.000 0.958 341 E CA -1.415 54.944 56.400 -0.069 0.000 0.779 341 E CB 2.828 32.510 29.700 -0.031 0.000 1.278 341 E HN 0.443 nan 8.360 nan 0.000 0.456 342 R N 1.709 122.248 120.500 0.065 0.000 2.533 342 R HA 0.377 4.717 4.340 -0.000 0.000 0.288 342 R C -2.787 173.421 176.300 -0.153 0.000 1.039 342 R CA -2.128 53.965 56.100 -0.011 0.000 0.909 342 R CB 2.059 32.354 30.300 -0.009 0.000 1.195 342 R HN 0.427 nan 8.270 nan 0.000 0.438 343 P HA 0.178 nan 4.420 nan 0.000 0.276 343 P C -0.789 176.164 177.300 -0.577 0.000 1.230 343 P CA -0.063 62.301 63.100 -1.228 0.000 0.776 343 P CB 0.984 31.993 31.700 -1.152 0.000 0.888 344 L N 1.401 122.295 121.223 -0.547 0.000 2.286 344 L HA 0.479 4.819 4.340 -0.000 0.000 0.265 344 L C 0.995 177.741 176.870 -0.206 0.000 1.012 344 L CA -1.091 53.595 54.840 -0.256 0.000 0.818 344 L CB 1.460 43.426 42.059 -0.154 0.000 1.337 344 L HN 0.340 nan 8.230 nan 0.000 0.438 345 S N -0.544 115.093 115.700 -0.104 0.000 2.576 345 S HA 0.342 4.812 4.470 -0.000 0.000 0.272 345 S C 0.952 175.528 174.600 -0.039 0.000 1.352 345 S CA 0.047 58.212 58.200 -0.059 0.000 1.021 345 S CB 0.862 64.047 63.200 -0.025 0.000 0.887 345 S HN 1.169 nan 8.310 nan 0.000 0.542 346 G N 0.691 109.484 108.800 -0.012 0.000 2.221 346 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 346 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 346 G C 0.369 175.291 174.900 0.037 0.000 1.041 346 G CA -0.103 45.007 45.100 0.016 0.000 0.807 346 G HN 1.543 nan 8.290 nan 0.000 0.502 347 L N -3.648 117.592 121.223 0.027 0.000 4.179 347 L HA -0.244 4.096 4.340 -0.000 0.000 0.418 347 L C 1.451 178.407 176.870 0.143 0.000 1.168 347 L CA 0.905 55.801 54.840 0.093 0.000 0.972 347 L CB -1.893 40.255 42.059 0.148 0.000 2.005 347 L HN 1.438 nan 8.230 nan 0.000 0.935 348 A N -1.261 121.573 122.820 0.023 0.000 2.279 348 A HA 0.700 5.020 4.320 -0.000 0.000 0.303 348 A C -0.756 176.797 177.584 -0.051 0.000 1.108 348 A CA -0.117 51.972 52.037 0.086 0.000 0.830 348 A CB 0.526 19.554 19.000 0.047 0.000 1.106 348 A HN 0.273 nan 8.150 nan 0.000 0.493 349 W N -0.735 120.588 121.300 0.037 0.000 3.022 349 W HA 0.599 5.259 4.660 -0.000 0.000 0.335 349 W C -0.095 176.426 176.519 0.004 0.000 1.133 349 W CA -0.064 57.293 57.345 0.021 0.000 1.219 349 W CB 2.151 31.623 29.460 0.020 0.000 1.409 349 W HN 0.888 nan 8.180 nan 0.000 0.507 350 A N 2.009 124.950 122.820 0.200 0.000 2.304 350 A HA 0.866 5.186 4.320 -0.000 0.000 0.323 350 A C -1.405 176.258 177.584 0.132 0.000 1.195 350 A CA -0.651 51.458 52.037 0.120 0.000 0.826 350 A CB 0.933 19.966 19.000 0.055 0.000 1.184 350 A HN 0.453 nan 8.150 nan 0.000 0.496 351 V N 1.600 121.564 119.914 0.083 0.000 2.531 351 V HA 0.693 4.813 4.120 -0.000 0.000 0.301 351 V C 0.185 176.303 176.094 0.040 0.000 1.034 351 V CA -0.317 62.019 62.300 0.061 0.000 0.865 351 V CB 1.529 33.367 31.823 0.024 0.000 0.995 351 V HN 1.235 nan 8.190 nan 0.000 0.424 352 A N 6.357 129.215 122.820 0.062 0.000 2.331 352 A HA 0.940 5.260 4.320 -0.000 0.000 0.320 352 A C -0.606 177.008 177.584 0.049 0.000 1.138 352 A CA -0.576 51.480 52.037 0.032 0.000 0.790 352 A CB 1.091 20.085 19.000 -0.010 0.000 1.206 352 A HN 0.817 nan 8.150 nan 0.000 0.470 353 M N 3.623 123.223 119.600 0.001 0.000 2.134 353 M HA 0.432 4.912 4.480 -0.000 0.000 0.310 353 M C -1.074 175.224 176.300 -0.004 0.000 0.966 353 M CA 0.131 55.407 55.300 -0.041 0.000 0.922 353 M CB 1.366 33.893 32.600 -0.123 0.000 1.537 353 M HN 0.534 nan 8.290 nan 0.000 0.424 354 I N 2.438 123.035 120.570 0.045 0.000 2.377 354 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 354 I C -0.038 176.153 176.117 0.124 0.000 0.987 354 I CA -0.817 60.528 61.300 0.076 0.000 1.185 354 I CB 1.439 39.496 38.000 0.095 0.000 1.341 354 I HN 0.589 nan 8.210 nan 0.000 0.455 355 N N 5.736 124.486 118.700 0.083 0.000 2.462 355 N HA 0.202 4.942 4.740 -0.000 0.000 0.242 355 N C 0.424 175.911 175.510 -0.038 0.000 1.010 355 N CA -0.319 52.709 53.050 -0.038 0.000 0.939 355 N CB 0.883 39.365 38.487 -0.008 0.000 1.127 355 N HN 0.406 nan 8.380 nan 0.000 0.509 356 R N 1.705 122.165 120.500 -0.067 0.000 2.317 356 R HA 0.052 4.392 4.340 -0.000 0.000 0.208 356 R C 0.043 176.348 176.300 0.008 0.000 0.914 356 R CA -0.005 56.131 56.100 0.060 0.000 1.060 356 R CB 0.005 30.347 30.300 0.070 0.000 1.015 356 R HN 0.644 nan 8.270 nan 0.000 0.498 357 Q N 1.623 121.356 119.800 -0.113 0.000 2.296 357 Q HA 0.018 4.358 4.340 -0.000 0.000 0.263 357 Q C -0.513 175.467 176.000 -0.032 0.000 1.026 357 Q CA 0.298 56.049 55.803 -0.086 0.000 0.912 357 Q CB 0.617 29.260 28.738 -0.157 0.000 1.198 357 Q HN 0.147 nan 8.270 nan 0.000 0.407 358 E N 5.118 125.325 120.200 0.013 0.000 2.411 358 E HA 0.258 4.608 4.350 -0.000 0.000 0.228 358 E C -0.565 176.038 176.600 0.006 0.000 1.169 358 E CA -0.040 56.373 56.400 0.022 0.000 1.421 358 E CB 0.314 30.067 29.700 0.088 0.000 1.333 358 E HN 0.518 nan 8.360 nan 0.000 0.434 359 I N -0.934 119.632 120.570 -0.007 0.000 2.918 359 I HA 0.488 4.657 4.170 -0.000 0.000 0.301 359 I C -0.070 176.045 176.117 -0.004 0.000 1.312 359 I CA -0.094 61.205 61.300 -0.002 0.000 1.007 359 I CB 1.662 39.664 38.000 0.003 0.000 1.281 359 I HN 0.329 nan 8.210 nan 0.000 0.440 360 G N 3.425 112.227 108.800 0.003 0.000 2.568 360 G HA2 0.104 4.064 3.960 -0.000 0.000 0.222 360 G HA3 0.104 4.064 3.960 -0.000 0.000 0.222 360 G C -0.205 174.704 174.900 0.015 0.000 1.321 360 G CA -0.194 44.913 45.100 0.012 0.000 0.893 360 G HN 1.261 nan 8.290 nan 0.000 0.569 361 G N -0.631 108.187 108.800 0.030 0.000 2.938 361 G HA2 0.805 4.764 3.960 -0.000 0.000 0.258 361 G HA3 0.805 4.764 3.960 -0.000 0.000 0.258 361 G C -2.807 172.131 174.900 0.065 0.000 1.356 361 G CA -0.504 44.619 45.100 0.040 0.000 1.052 361 G HN 0.717 nan 8.290 nan 0.000 0.550 362 P HA 0.181 nan 4.420 nan 0.000 0.262 362 P C -0.436 176.992 177.300 0.213 0.000 1.182 362 P CA 0.339 63.526 63.100 0.145 0.000 0.761 362 P CB 0.507 32.297 31.700 0.150 0.000 0.795 363 R N 2.102 122.738 120.500 0.226 0.000 2.445 363 R HA 0.448 4.788 4.340 -0.000 0.000 0.308 363 R C -0.068 176.367 176.300 0.224 0.000 0.961 363 R CA -0.557 55.700 56.100 0.260 0.000 0.862 363 R CB 1.017 31.480 30.300 0.272 0.000 1.144 363 R HN 0.541 nan 8.270 nan 0.000 0.447 364 S N 2.955 118.671 115.700 0.028 0.000 2.545 364 S HA 0.207 4.677 4.470 -0.000 0.000 0.275 364 S C -0.898 173.606 174.600 -0.159 0.000 1.299 364 S CA -0.392 57.608 58.200 -0.332 0.000 1.048 364 S CB 0.877 63.791 63.200 -0.477 0.000 0.938 364 S HN 0.588 nan 8.310 nan 0.000 0.496 365 Y N 1.531 121.579 120.300 -0.420 0.000 2.373 365 Y HA 0.482 5.031 4.550 -0.000 0.000 0.336 365 Y C -0.690 174.996 175.900 -0.357 0.000 0.979 365 Y CA -0.392 57.364 58.100 -0.573 0.000 1.080 365 Y CB 2.141 40.095 38.460 -0.844 0.000 1.190 365 Y HN 0.833 nan 8.280 nan 0.000 0.446 366 T N 7.747 121.821 114.554 -0.800 0.000 2.786 366 T HA 0.540 4.890 4.350 -0.000 0.000 0.283 366 T C -1.203 173.103 174.700 -0.656 0.000 0.992 366 T CA -0.430 61.355 62.100 -0.525 0.000 0.954 366 T CB 0.784 69.448 68.868 -0.340 0.000 0.934 366 T HN 0.616 nan 8.240 nan 0.000 0.440 367 I N 2.346 122.687 120.570 -0.382 0.000 2.608 367 I HA 0.722 4.892 4.170 -0.000 0.000 0.295 367 I C -0.319 175.677 176.117 -0.201 0.000 1.049 367 I CA -1.108 60.027 61.300 -0.274 0.000 1.063 367 I CB 1.371 39.313 38.000 -0.097 0.000 1.248 367 I HN 0.710 nan 8.210 nan 0.000 0.424 368 A N 6.009 128.708 122.820 -0.201 0.000 2.404 368 A HA 0.311 4.631 4.320 -0.000 0.000 0.273 368 A C 1.121 178.561 177.584 -0.240 0.000 1.144 368 A CA -0.003 51.906 52.037 -0.214 0.000 0.806 368 A CB 0.490 19.345 19.000 -0.241 0.000 1.080 368 A HN 1.016 nan 8.150 nan 0.000 0.509 369 V N 1.083 120.856 119.914 -0.236 0.000 2.720 369 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 369 V C 2.108 178.001 176.094 -0.335 0.000 1.082 369 V CA 2.241 64.394 62.300 -0.244 0.000 1.101 369 V CB -1.441 30.276 31.823 -0.177 0.000 0.693 369 V HN 1.003 nan 8.190 nan 0.000 0.479 370 A N 0.583 123.076 122.820 -0.545 0.000 2.070 370 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 370 A C 2.373 179.731 177.584 -0.376 0.000 1.159 370 A CA 2.067 53.618 52.037 -0.810 0.000 0.656 370 A CB -0.795 17.342 19.000 -1.439 0.000 0.800 370 A HN 0.630 nan 8.150 nan 0.000 0.453 371 S N -0.593 114.937 115.700 -0.284 0.000 2.489 371 S HA 0.175 4.645 4.470 -0.000 0.000 0.228 371 S C 0.620 175.118 174.600 -0.170 0.000 0.995 371 S CA 0.092 58.187 58.200 -0.176 0.000 0.934 371 S CB -0.288 62.827 63.200 -0.141 0.000 0.771 371 S HN 0.477 nan 8.310 nan 0.000 0.522 372 L N 0.955 122.042 121.223 -0.226 0.000 2.375 372 L HA 0.485 4.824 4.340 -0.000 0.000 0.271 372 L C 1.309 177.875 176.870 -0.507 0.000 1.107 372 L CA -0.298 54.359 54.840 -0.305 0.000 0.806 372 L CB 0.277 42.170 42.059 -0.276 0.000 1.146 372 L HN 0.318 nan 8.230 nan 0.000 0.447 373 G N 1.704 109.965 108.800 -0.898 0.000 2.273 373 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.280 373 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.280 373 G C 0.561 175.045 174.900 -0.694 0.000 1.047 373 G CA 0.619 44.647 45.100 -1.786 0.000 0.869 373 G HN 0.835 nan 8.290 nan 0.000 0.502 374 K N -2.666 117.553 120.400 -0.303 0.000 3.088 374 K HA -0.223 4.097 4.320 -0.000 0.000 0.273 374 K C 1.767 178.368 176.600 0.002 0.000 1.111 374 K CA 1.365 57.618 56.287 -0.057 0.000 0.803 374 K CB -1.662 30.872 32.500 0.057 0.000 1.226 374 K HN 2.225 nan 8.250 nan 0.000 0.485 375 G N -0.787 108.008 108.800 -0.008 0.000 2.199 375 G HA2 -0.387 3.572 3.960 -0.000 0.000 0.254 375 G HA3 -0.387 3.572 3.960 -0.000 0.000 0.254 375 G C 0.595 175.669 174.900 0.291 0.000 0.982 375 G CA 0.706 45.939 45.100 0.221 0.000 0.632 375 G HN 0.774 nan 8.290 nan 0.000 0.529 376 V N -2.541 117.433 119.914 0.099 0.000 3.644 376 V HA 0.701 4.821 4.120 -0.000 0.000 0.267 376 V C 2.604 178.767 176.094 0.116 0.000 1.277 376 V CA 1.221 63.593 62.300 0.121 0.000 1.096 376 V CB -0.204 31.700 31.823 0.134 0.000 0.828 376 V HN 1.257 nan 8.190 nan 0.000 0.446 377 A N 0.120 122.901 122.820 -0.066 0.000 1.892 377 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 377 A C 1.845 179.487 177.584 0.098 0.000 1.188 377 A CA 2.389 54.371 52.037 -0.092 0.000 0.631 377 A CB -1.040 17.632 19.000 -0.546 0.000 0.822 377 A HN 0.707 nan 8.150 nan 0.000 0.447 378 c N -0.143 118.536 118.600 0.133 0.000 2.638 378 c HA 0.370 4.940 4.570 -0.000 0.000 0.282 378 c C 0.332 174.653 174.090 0.385 0.000 1.473 378 c CA -0.824 55.637 56.329 0.221 0.000 1.781 378 c CB -1.831 40.760 42.510 0.135 0.000 2.780 378 c HN 0.548 nan 8.230 nan 0.000 0.531 379 N N 2.038 120.926 118.700 0.314 0.000 2.469 379 N HA 0.316 5.055 4.740 -0.000 0.000 0.253 379 N C -1.240 174.324 175.510 0.090 0.000 0.970 379 N CA -1.761 51.381 53.050 0.154 0.000 0.940 379 N CB 1.732 40.185 38.487 -0.056 0.000 1.128 379 N HN 0.100 nan 8.380 nan 0.000 0.503 380 P HA 0.177 nan 4.420 nan 0.000 0.230 380 P C -0.552 176.870 177.300 0.202 0.000 1.168 380 P CA 0.472 63.630 63.100 0.096 0.000 0.793 380 P CB 0.570 32.301 31.700 0.052 0.000 0.851 381 A N -0.878 122.072 122.820 0.216 0.000 2.581 381 A HA 0.668 4.988 4.320 -0.000 0.000 0.290 381 A C -1.249 176.513 177.584 0.297 0.000 1.119 381 A CA -0.207 51.991 52.037 0.268 0.000 0.670 381 A CB 1.017 20.169 19.000 0.253 0.000 1.280 381 A HN 0.285 nan 8.150 nan 0.000 0.425 382 c N -1.988 116.820 118.600 0.347 0.000 3.086 382 c HA 0.836 5.406 4.570 -0.000 0.000 0.311 382 c C -0.992 173.306 174.090 0.346 0.000 1.260 382 c CA -0.968 55.554 56.329 0.322 0.000 1.426 382 c CB 0.473 43.104 42.510 0.202 0.000 1.826 382 c HN 1.179 nan 8.230 nan 0.000 0.474 383 F N 2.280 122.265 119.950 0.059 0.000 2.415 383 F HA 0.789 5.316 4.527 -0.000 0.000 0.348 383 F C -0.188 175.562 175.800 -0.084 0.000 1.119 383 F CA -0.971 56.895 58.000 -0.223 0.000 1.069 383 F CB 0.658 39.337 39.000 -0.534 0.000 1.124 383 F HN 0.588 nan 8.300 nan 0.000 0.472 384 I N 5.451 125.695 120.570 -0.543 0.000 2.378 384 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 384 I C -0.610 175.272 176.117 -0.392 0.000 0.992 384 I CA -0.484 60.606 61.300 -0.349 0.000 1.154 384 I CB 1.848 39.602 38.000 -0.411 0.000 1.315 384 I HN 0.501 nan 8.210 nan 0.000 0.448 385 T N 5.330 119.807 114.554 -0.127 0.000 2.809 385 T HA 0.225 4.575 4.350 -0.000 0.000 0.284 385 T C -0.385 174.300 174.700 -0.025 0.000 0.992 385 T CA -0.519 61.559 62.100 -0.037 0.000 0.957 385 T CB 1.540 70.467 68.868 0.098 0.000 0.942 385 T HN 0.538 nan 8.240 nan 0.000 0.439 386 Q N 3.307 123.092 119.800 -0.025 0.000 2.304 386 Q HA 0.330 4.670 4.340 -0.000 0.000 0.260 386 Q C 0.011 176.021 176.000 0.016 0.000 0.965 386 Q CA -0.223 55.575 55.803 -0.007 0.000 0.898 386 Q CB 0.510 29.248 28.738 -0.000 0.000 1.196 386 Q HN 0.712 nan 8.270 nan 0.000 0.402 387 L N 3.359 124.593 121.223 0.017 0.000 2.467 387 L HA 0.288 4.628 4.340 -0.000 0.000 0.213 387 L C 0.102 176.989 176.870 0.029 0.000 1.053 387 L CA 0.166 55.021 54.840 0.026 0.000 0.847 387 L CB 0.392 42.464 42.059 0.023 0.000 1.075 387 L HN 0.533 nan 8.230 nan 0.000 0.479 388 L N 0.121 121.354 121.223 0.017 0.000 2.370 388 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 388 L C -1.813 175.067 176.870 0.016 0.000 1.002 388 L CA -1.535 53.315 54.840 0.015 0.000 0.818 388 L CB 2.489 44.535 42.059 -0.023 0.000 1.325 388 L HN -0.286 nan 8.230 nan 0.000 0.418 389 P HA -0.034 nan 4.420 nan 0.000 0.231 389 P C -0.070 177.307 177.300 0.127 0.000 1.168 389 P CA 0.677 63.824 63.100 0.078 0.000 0.779 389 P CB 0.340 32.108 31.700 0.113 0.000 0.844 390 V N -3.706 116.261 119.914 0.088 0.000 2.876 390 V HA 0.524 4.644 4.120 -0.000 0.000 0.312 390 V C -0.343 175.784 176.094 0.055 0.000 1.085 390 V CA -1.807 60.540 62.300 0.078 0.000 0.945 390 V CB 2.368 34.231 31.823 0.067 0.000 1.017 390 V HN -0.239 nan 8.190 nan 0.000 0.428 391 K N 2.897 123.328 120.400 0.051 0.000 2.339 391 K HA 0.586 4.906 4.320 -0.000 0.000 0.286 391 K C -0.332 176.293 176.600 0.041 0.000 1.050 391 K CA -0.387 55.926 56.287 0.044 0.000 0.956 391 K CB 0.626 33.152 32.500 0.043 0.000 0.990 391 K HN 0.910 nan 8.250 nan 0.000 0.475 392 R N 3.502 124.025 120.500 0.039 0.000 2.563 392 R HA 0.137 4.477 4.340 -0.000 0.000 0.262 392 R C -1.362 174.957 176.300 0.032 0.000 1.128 392 R CA -0.685 55.438 56.100 0.038 0.000 0.969 392 R CB 1.047 31.366 30.300 0.031 0.000 1.251 392 R HN 0.524 nan 8.270 nan 0.000 0.442 393 K N 4.358 124.790 120.400 0.055 0.000 2.322 393 K HA 0.201 4.521 4.320 -0.000 0.000 0.283 393 K C 0.474 177.041 176.600 -0.055 0.000 1.042 393 K CA -0.062 56.250 56.287 0.042 0.000 0.958 393 K CB 0.924 33.553 32.500 0.216 0.000 0.984 393 K HN 0.507 nan 8.250 nan 0.000 0.473 394 L N 1.892 122.990 121.223 -0.210 0.000 2.693 394 L HA 0.182 4.522 4.340 -0.000 0.000 0.235 394 L C 0.925 177.703 176.870 -0.153 0.000 1.127 394 L CA -0.094 54.683 54.840 -0.105 0.000 0.914 394 L CB -0.008 42.043 42.059 -0.013 0.000 1.193 394 L HN 1.058 nan 8.230 nan 0.000 0.502 395 G N 0.329 108.797 108.800 -0.554 0.000 2.660 395 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.247 395 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.247 395 G C -0.651 173.917 174.900 -0.554 0.000 1.328 395 G CA -0.800 44.026 45.100 -0.457 0.000 0.884 395 G HN -0.078 nan 8.290 nan 0.000 0.531 396 F N -0.265 119.667 119.950 -0.030 0.000 2.371 396 F HA 0.699 5.226 4.527 -0.000 0.000 0.329 396 F C 0.363 176.120 175.800 -0.072 0.000 1.107 396 F CA 0.250 58.313 58.000 0.106 0.000 1.137 396 F CB 1.245 40.347 39.000 0.171 0.000 1.214 396 F HN 0.409 nan 8.300 nan 0.000 0.536 397 Y N 0.682 121.101 120.300 0.198 0.000 2.354 397 Y HA 0.278 4.828 4.550 -0.000 0.000 0.330 397 Y C -0.197 175.782 175.900 0.132 0.000 1.011 397 Y CA -1.174 56.986 58.100 0.099 0.000 1.099 397 Y CB 1.270 39.736 38.460 0.010 0.000 1.179 397 Y HN 0.553 nan 8.280 nan 0.000 0.442 398 E N 1.477 121.797 120.200 0.201 0.000 2.392 398 E HA -0.074 4.276 4.350 -0.000 0.000 0.256 398 E C 0.105 176.837 176.600 0.221 0.000 1.145 398 E CA -0.281 56.238 56.400 0.198 0.000 0.929 398 E CB 0.871 30.653 29.700 0.136 0.000 0.998 398 E HN 0.825 nan 8.360 nan 0.000 0.442 399 W N 1.794 123.134 121.300 0.066 0.000 2.350 399 W HA -0.209 4.451 4.660 -0.000 0.000 0.289 399 W C 2.083 178.619 176.519 0.028 0.000 1.215 399 W CA 2.147 59.516 57.345 0.041 0.000 1.236 399 W CB -0.091 29.384 29.460 0.026 0.000 1.130 399 W HN 0.590 nan 8.180 nan 0.000 0.541 400 T N -2.034 112.574 114.554 0.091 0.000 3.129 400 T HA 0.123 4.473 4.350 -0.000 0.000 0.251 400 T C 1.079 175.729 174.700 -0.084 0.000 1.117 400 T CA 0.306 62.366 62.100 -0.066 0.000 1.034 400 T CB -0.784 68.132 68.868 0.080 0.000 0.968 400 T HN 0.084 nan 8.240 nan 0.000 0.526 401 S N 0.809 116.494 115.700 -0.024 0.000 2.624 401 S HA 0.562 5.032 4.470 -0.000 0.000 0.263 401 S C -0.150 174.449 174.600 -0.001 0.000 1.287 401 S CA -0.987 57.226 58.200 0.021 0.000 0.990 401 S CB 0.960 64.226 63.200 0.109 0.000 0.950 401 S HN 0.491 nan 8.310 nan 0.000 0.561 402 R N -0.321 120.202 120.500 0.038 0.000 2.740 402 R HA 0.623 4.963 4.340 -0.000 0.000 0.282 402 R C -1.520 174.830 176.300 0.082 0.000 0.969 402 R CA -0.866 55.229 56.100 -0.008 0.000 0.918 402 R CB 1.536 31.798 30.300 -0.063 0.000 1.175 402 R HN 0.560 nan 8.270 nan 0.000 0.464 403 L N 2.407 123.612 121.223 -0.029 0.000 2.313 403 L HA 0.469 4.809 4.340 -0.000 0.000 0.283 403 L C -0.678 176.152 176.870 -0.067 0.000 1.013 403 L CA -0.198 54.616 54.840 -0.043 0.000 0.816 403 L CB 1.229 43.135 42.059 -0.255 0.000 1.236 403 L HN 0.500 nan 8.230 nan 0.000 0.419 404 R N 3.577 124.066 120.500 -0.018 0.000 2.387 404 R HA 0.757 5.097 4.340 -0.000 0.000 0.314 404 R C -1.228 175.062 176.300 -0.017 0.000 0.958 404 R CA -0.232 55.834 56.100 -0.057 0.000 0.846 404 R CB 1.278 31.556 30.300 -0.037 0.000 1.147 404 R HN 0.820 nan 8.270 nan 0.000 0.447 405 S N 1.768 117.439 115.700 -0.049 0.000 2.599 405 S HA 0.400 4.870 4.470 -0.000 0.000 0.287 405 S C -1.596 172.965 174.600 -0.065 0.000 1.105 405 S CA -0.728 57.481 58.200 0.015 0.000 0.899 405 S CB 1.530 64.748 63.200 0.030 0.000 1.100 405 S HN 0.638 nan 8.310 nan 0.000 0.482 406 H N 0.705 119.811 119.070 0.060 0.000 2.481 406 H HA 0.599 5.155 4.556 -0.000 0.000 0.333 406 H C -0.710 174.671 175.328 0.089 0.000 1.066 406 H CA -0.277 55.821 56.048 0.084 0.000 1.209 406 H CB 0.680 30.481 29.762 0.065 0.000 1.445 406 H HN 0.356 nan 8.280 nan 0.000 0.488 407 I N 2.899 123.594 120.570 0.208 0.000 2.436 407 I HA 0.214 4.383 4.170 -0.000 0.000 0.289 407 I C -0.315 175.879 176.117 0.129 0.000 1.010 407 I CA -1.080 60.315 61.300 0.158 0.000 1.098 407 I CB 1.388 39.501 38.000 0.188 0.000 1.266 407 I HN 0.545 nan 8.210 nan 0.000 0.434 408 N N 6.792 125.534 118.700 0.070 0.000 2.441 408 N HA 0.161 4.900 4.740 -0.000 0.000 0.251 408 N C -2.476 173.023 175.510 -0.020 0.000 1.242 408 N CA -1.400 51.667 53.050 0.027 0.000 0.898 408 N CB 0.025 38.514 38.487 0.004 0.000 1.100 408 N HN 0.248 nan 8.380 nan 0.000 0.443 409 P HA -0.033 nan 4.420 nan 0.000 0.261 409 P C 0.542 177.739 177.300 -0.171 0.000 1.183 409 P CA 0.785 63.838 63.100 -0.079 0.000 0.761 409 P CB 0.090 31.752 31.700 -0.063 0.000 0.785 410 T N -0.697 113.743 114.554 -0.190 0.000 7.578 410 T HA -0.184 4.166 4.350 -0.000 0.000 0.299 410 T C 0.647 175.087 174.700 -0.434 0.000 2.097 410 T CA 1.007 62.837 62.100 -0.450 0.000 3.248 410 T CB -2.294 65.972 68.868 -1.003 0.000 2.014 410 T HN 0.648 nan 8.240 nan 0.000 1.198 411 G N -0.602 108.064 108.800 -0.223 0.000 2.535 411 G HA2 0.625 4.585 3.960 -0.000 0.000 0.303 411 G HA3 0.625 4.585 3.960 -0.000 0.000 0.303 411 G C -0.657 174.188 174.900 -0.093 0.000 1.237 411 G CA -0.039 44.954 45.100 -0.179 0.000 0.986 411 G HN 0.660 nan 8.290 nan 0.000 0.494 412 T N -0.743 113.757 114.554 -0.091 0.000 2.933 412 T HA 0.441 4.791 4.350 -0.000 0.000 0.305 412 T C -0.774 173.903 174.700 -0.039 0.000 1.092 412 T CA -0.295 61.774 62.100 -0.052 0.000 1.008 412 T CB 1.986 70.811 68.868 -0.072 0.000 1.102 412 T HN 0.334 nan 8.240 nan 0.000 0.469 413 V N 3.550 123.456 119.914 -0.013 0.000 2.394 413 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 413 V C -0.550 175.536 176.094 -0.014 0.000 1.031 413 V CA -0.711 61.586 62.300 -0.006 0.000 0.881 413 V CB 1.366 33.196 31.823 0.012 0.000 0.982 413 V HN 0.666 nan 8.190 nan 0.000 0.451 414 L N 7.171 128.386 121.223 -0.013 0.000 2.305 414 L HA 0.672 5.011 4.340 -0.000 0.000 0.284 414 L C -0.731 176.136 176.870 -0.004 0.000 1.013 414 L CA 0.202 55.037 54.840 -0.009 0.000 0.819 414 L CB 1.204 43.256 42.059 -0.011 0.000 1.227 414 L HN 0.523 nan 8.230 nan 0.000 0.417 415 L N 4.101 125.321 121.223 -0.005 0.000 2.333 415 L HA 0.627 4.967 4.340 -0.000 0.000 0.269 415 L C -0.557 176.321 176.870 0.013 0.000 1.010 415 L CA -0.646 54.186 54.840 -0.015 0.000 0.818 415 L CB 1.917 43.944 42.059 -0.053 0.000 1.306 415 L HN 0.585 nan 8.230 nan 0.000 0.430 416 Q N 1.771 121.583 119.800 0.019 0.000 2.330 416 Q HA 0.570 4.910 4.340 -0.000 0.000 0.269 416 Q C -1.753 174.286 176.000 0.065 0.000 1.022 416 Q CA -0.794 55.043 55.803 0.057 0.000 0.796 416 Q CB 1.825 30.600 28.738 0.062 0.000 1.271 416 Q HN 0.409 nan 8.270 nan 0.000 0.450 417 L N 3.536 124.826 121.223 0.113 0.000 2.295 417 L HA 0.426 4.766 4.340 -0.000 0.000 0.285 417 L C -0.456 176.529 176.870 0.191 0.000 1.035 417 L CA -0.119 54.796 54.840 0.126 0.000 0.806 417 L CB 1.639 43.773 42.059 0.126 0.000 1.214 417 L HN 0.574 nan 8.230 nan 0.000 0.426 418 E N 2.873 123.191 120.200 0.197 0.000 2.165 418 E HA 0.227 4.577 4.350 -0.000 0.000 0.266 418 E C -0.671 176.070 176.600 0.234 0.000 0.889 418 E CA -0.487 56.037 56.400 0.206 0.000 0.756 418 E CB 1.978 31.791 29.700 0.188 0.000 1.131 418 E HN 0.473 nan 8.360 nan 0.000 0.411 419 N N 1.266 120.103 118.700 0.228 0.000 2.479 419 N HA -0.006 4.734 4.740 -0.000 0.000 0.257 419 N C 0.788 176.429 175.510 0.218 0.000 1.232 419 N CA 0.403 53.588 53.050 0.226 0.000 0.920 419 N CB 0.925 39.540 38.487 0.213 0.000 1.105 419 N HN 0.354 nan 8.380 nan 0.000 0.444 420 T N -0.051 114.639 114.554 0.227 0.000 3.129 420 T HA 0.148 4.498 4.350 -0.000 0.000 0.251 420 T C 1.368 176.150 174.700 0.137 0.000 1.117 420 T CA 0.102 62.333 62.100 0.219 0.000 1.034 420 T CB 0.161 69.169 68.868 0.234 0.000 0.968 420 T HN 0.406 nan 8.240 nan 0.000 0.526 421 M N 0.000 119.671 119.600 0.118 0.000 2.572 421 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 421 M CA 0.000 55.349 55.300 0.082 0.000 0.988 421 M CB 0.000 32.645 32.600 0.075 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411