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 1fvh_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALKTAVHEKI MNDVVLAVKK NAEWKVLIVD QLSMRMVSAC CKMHEIMSEG DATA SEQUENCE ITLVEDINRR REPLPLLEAV YLITPTEESV KCLMADFQNP DNPQYRGAHI DATA SEQUENCE FFTEACPEEL FKELCKSTTA RFIKTLKEIN IAFLPYESQI FSLDSPDTFQ DATA SEQUENCE VYYNPSRAQG GIPNKERCAE QIATLCATLG EYPSVRYRSD FDENASFAQL DATA SEQUENCE VQQKLDAYRA DDPTMGEGPQ KDRSQLLILD RGFDPISPLL HELTFQAMAY DATA SEQUENCE DLLPIENDVY KYXXXXXXXX XXXEVLLDEK DDLWVEMRHQ HIAVVSQNVT DATA SEQUENCE KKLKQFADEK RXXXXXXXXG IKDLSQMLKK MPQYQKELSK YSTHLHLAED DATA SEQUENCE CMKQYQQHVD KLCKVEQDLA MGTDADGEKI RDHMRNIVPI LLDQKISAYD DATA SEQUENCE KIRIILLYII HKGGISEENL AKLVQHAHIP AEEKWIINDM QNLGVPIIQD DATA SEQUENCE GGRRKIPQPY HTHNRKERQA DHTYQMSRWT PYMKDIMEAA VEDKLDTRHY DATA SEQUENCE PFLNGGGXXX XXXXXXXXXX XXXXXXXXXX XXKSGPRLII FVVGGISYSE DATA SEQUENCE MRSAYEVTQT AKNNWEVILG STHILTPEGL LRDLRKISNP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.634 177.584 0.084 0.000 1.274 2 A CA 0.000 52.082 52.037 0.076 0.000 0.836 2 A CB 0.000 19.043 19.000 0.072 0.000 0.831 3 L N 0.780 122.066 121.223 0.104 0.000 2.102 3 L HA 0.363 4.710 4.340 0.011 0.000 0.202 3 L C 1.885 178.849 176.870 0.157 0.000 1.076 3 L CA 3.048 57.960 54.840 0.119 0.000 0.761 3 L CB -0.686 41.453 42.059 0.135 0.000 0.921 3 L HN 0.374 nan 8.230 nan 0.000 0.444 4 K N -0.615 119.881 120.400 0.160 0.000 2.173 4 K HA -0.215 4.112 4.320 0.011 0.000 0.207 4 K C 1.954 178.638 176.600 0.139 0.000 1.046 4 K CA 2.158 58.540 56.287 0.160 0.000 0.929 4 K CB -0.251 32.331 32.500 0.137 0.000 0.720 4 K HN 0.758 nan 8.250 nan 0.000 0.453 5 T N -2.511 112.111 114.554 0.113 0.000 2.894 5 T HA 0.079 4.436 4.350 0.011 0.000 0.258 5 T C 1.994 176.789 174.700 0.158 0.000 1.043 5 T CA 0.709 62.880 62.100 0.118 0.000 1.141 5 T CB -0.318 68.587 68.868 0.061 0.000 0.873 5 T HN 0.171 nan 8.240 nan 0.000 0.449 6 A N 1.355 124.250 122.820 0.125 0.000 1.971 6 A HA -0.087 4.240 4.320 0.011 0.000 0.222 6 A C 2.577 180.232 177.584 0.117 0.000 1.182 6 A CA 2.247 54.351 52.037 0.111 0.000 0.649 6 A CB -1.331 17.729 19.000 0.100 0.000 0.818 6 A HN 0.482 nan 8.150 nan 0.000 0.458 7 V N -0.969 119.030 119.914 0.142 0.000 2.283 7 V HA -0.244 3.883 4.120 0.011 0.000 0.243 7 V C 2.385 178.519 176.094 0.068 0.000 1.039 7 V CA 2.317 64.676 62.300 0.099 0.000 1.016 7 V CB -1.198 30.683 31.823 0.097 0.000 0.650 7 V HN 0.860 nan 8.190 nan 0.000 0.449 8 H N 0.756 119.836 119.070 0.016 0.000 2.362 8 H HA -0.258 4.304 4.556 0.011 0.000 0.294 8 H C 2.231 177.548 175.328 -0.019 0.000 1.113 8 H CA 2.535 58.579 56.048 -0.006 0.000 1.253 8 H CB -0.054 29.711 29.762 0.004 0.000 1.363 8 H HN 0.534 nan 8.280 nan 0.000 0.494 9 E N -0.230 119.971 120.200 0.002 0.000 2.106 9 E HA -0.125 4.231 4.350 0.011 0.000 0.192 9 E C 2.126 178.668 176.600 -0.097 0.000 0.984 9 E CA 0.974 57.339 56.400 -0.059 0.000 0.806 9 E CB 0.124 29.851 29.700 0.046 0.000 0.750 9 E HN 0.558 nan 8.360 nan 0.000 0.458 10 K N 0.315 120.678 120.400 -0.062 0.000 2.057 10 K HA -0.106 4.220 4.320 0.011 0.000 0.206 10 K C 2.059 178.572 176.600 -0.145 0.000 1.050 10 K CA 0.788 57.033 56.287 -0.069 0.000 0.935 10 K CB 0.041 32.527 32.500 -0.025 0.000 0.715 10 K HN 0.098 nan 8.250 nan 0.000 0.439 11 I N 1.121 121.587 120.570 -0.173 0.000 2.133 11 I HA -0.231 3.946 4.170 0.011 0.000 0.238 11 I C 2.368 178.319 176.117 -0.277 0.000 1.074 11 I CA 1.489 62.653 61.300 -0.226 0.000 1.342 11 I CB -0.871 37.012 38.000 -0.194 0.000 1.053 11 I HN 0.192 nan 8.210 nan 0.000 0.404 12 M N 0.485 119.882 119.600 -0.338 0.000 2.132 12 M HA -0.140 4.346 4.480 0.011 0.000 0.263 12 M C 1.855 178.026 176.300 -0.216 0.000 1.065 12 M CA 1.556 56.664 55.300 -0.320 0.000 1.122 12 M CB -1.342 30.966 32.600 -0.485 0.000 1.365 12 M HN 0.308 nan 8.290 nan 0.000 0.411 13 N N -0.085 118.507 118.700 -0.180 0.000 2.402 13 N HA -0.028 4.718 4.740 0.011 0.000 0.174 13 N C 0.765 176.210 175.510 -0.109 0.000 1.027 13 N CA 0.780 53.762 53.050 -0.114 0.000 0.891 13 N CB 0.101 38.548 38.487 -0.068 0.000 1.016 13 N HN 0.385 nan 8.380 nan 0.000 0.439 14 D N 0.084 120.401 120.400 -0.137 0.000 2.349 14 D HA 0.119 4.765 4.640 0.011 0.000 0.214 14 D C 1.218 177.342 176.300 -0.294 0.000 1.063 14 D CA 0.236 54.162 54.000 -0.124 0.000 0.847 14 D CB 1.275 42.035 40.800 -0.067 0.000 0.933 14 D HN 0.026 nan 8.370 nan 0.000 0.513 15 V N -0.474 119.186 119.914 -0.423 0.000 4.197 15 V HA -0.064 4.063 4.120 0.011 0.000 0.176 15 V C 2.279 178.107 176.094 -0.443 0.000 1.208 15 V CA -0.100 61.725 62.300 -0.791 0.000 1.306 15 V CB -0.127 31.180 31.823 -0.861 0.000 1.585 15 V HN -0.142 nan 8.190 nan 0.000 0.552 16 V N 0.653 120.374 119.914 -0.320 0.000 2.282 16 V HA -0.259 3.868 4.120 0.011 0.000 0.249 16 V C 2.326 178.330 176.094 -0.151 0.000 1.057 16 V CA 2.224 64.399 62.300 -0.207 0.000 1.032 16 V CB -0.655 31.062 31.823 -0.177 0.000 0.645 16 V HN 0.394 nan 8.190 nan 0.000 0.447 17 L N -0.068 121.072 121.223 -0.138 0.000 2.270 17 L HA 0.194 4.541 4.340 0.011 0.000 0.210 17 L C 2.463 179.291 176.870 -0.070 0.000 1.104 17 L CA 1.666 56.453 54.840 -0.088 0.000 0.804 17 L CB -1.158 40.858 42.059 -0.073 0.000 0.937 17 L HN 0.264 nan 8.230 nan 0.000 0.450 18 A N -1.394 121.376 122.820 -0.082 0.000 2.015 18 A HA -0.129 4.198 4.320 0.011 0.000 0.219 18 A C 2.396 179.972 177.584 -0.014 0.000 1.163 18 A CA 1.706 53.728 52.037 -0.026 0.000 0.646 18 A CB -0.611 18.392 19.000 0.005 0.000 0.806 18 A HN 0.216 nan 8.150 nan 0.000 0.448 19 V N -0.429 119.441 119.914 -0.073 0.000 3.174 19 V HA 0.107 4.234 4.120 0.011 0.000 0.254 19 V C 1.077 177.081 176.094 -0.149 0.000 1.120 19 V CA 0.760 62.954 62.300 -0.177 0.000 1.114 19 V CB -0.436 31.188 31.823 -0.332 0.000 0.756 19 V HN 0.503 nan 8.190 nan 0.000 0.467 20 K N 1.452 121.802 120.400 -0.083 0.000 2.237 20 K HA 0.060 4.386 4.320 0.011 0.000 0.283 20 K C 0.731 177.325 176.600 -0.010 0.000 1.080 20 K CA 0.163 56.428 56.287 -0.037 0.000 0.965 20 K CB 0.075 32.560 32.500 -0.024 0.000 1.098 20 K HN 0.332 nan 8.250 nan 0.000 0.434 21 K N 2.603 123.006 120.400 0.005 0.000 2.358 21 K HA 0.026 4.352 4.320 0.011 0.000 0.197 21 K C -0.469 176.145 176.600 0.023 0.000 1.025 21 K CA 0.099 56.398 56.287 0.020 0.000 1.104 21 K CB 0.142 32.663 32.500 0.034 0.000 0.855 21 K HN 0.747 nan 8.250 nan 0.000 0.531 22 N N -2.674 116.041 118.700 0.026 0.000 3.395 22 N HA 0.067 4.814 4.740 0.011 0.000 0.293 22 N C -0.509 175.028 175.510 0.045 0.000 1.489 22 N CA -0.419 52.648 53.050 0.028 0.000 0.871 22 N CB 0.158 38.655 38.487 0.018 0.000 1.649 22 N HN -0.202 nan 8.380 nan 0.000 0.501 23 A N -1.295 121.547 122.820 0.037 0.000 2.252 23 A HA 0.113 4.439 4.320 0.011 0.000 0.207 23 A C -0.095 177.526 177.584 0.062 0.000 1.194 23 A CA 0.345 52.425 52.037 0.072 0.000 0.809 23 A CB -0.648 18.375 19.000 0.038 0.000 0.814 23 A HN 0.439 nan 8.150 nan 0.000 0.482 24 E N 0.033 120.246 120.200 0.022 0.000 2.360 24 E HA 0.059 4.416 4.350 0.011 0.000 0.269 24 E C -0.444 176.303 176.600 0.246 0.000 1.022 24 E CA -0.333 56.056 56.400 -0.018 0.000 0.887 24 E CB 0.299 29.985 29.700 -0.024 0.000 0.990 24 E HN 0.559 nan 8.360 nan 0.000 0.426 25 W N 2.360 123.662 121.300 0.005 0.000 2.209 25 W HA 0.045 4.711 4.660 0.011 0.000 0.344 25 W C 1.052 177.566 176.519 -0.008 0.000 1.285 25 W CA -0.388 56.954 57.345 -0.005 0.000 1.267 25 W CB 0.524 29.982 29.460 -0.002 0.000 1.167 25 W HN 0.119 nan 8.180 nan 0.000 0.574 26 K N 0.602 121.128 120.400 0.211 0.000 2.466 26 K HA 0.566 4.893 4.320 0.011 0.000 0.260 26 K C -1.035 175.555 176.600 -0.017 0.000 1.011 26 K CA -1.041 55.294 56.287 0.079 0.000 0.871 26 K CB 2.384 34.913 32.500 0.048 0.000 1.404 26 K HN 0.302 nan 8.250 nan 0.000 0.450 27 V N -0.432 119.409 119.914 -0.122 0.000 2.540 27 V HA 0.571 4.698 4.120 0.011 0.000 0.302 27 V C -1.099 174.837 176.094 -0.263 0.000 1.035 27 V CA -1.018 61.155 62.300 -0.212 0.000 0.873 27 V CB 1.443 33.055 31.823 -0.351 0.000 0.992 27 V HN 0.575 nan 8.190 nan 0.000 0.428 28 L N 5.922 127.027 121.223 -0.196 0.000 2.257 28 L HA 0.659 5.006 4.340 0.011 0.000 0.290 28 L C -0.672 176.085 176.870 -0.188 0.000 1.044 28 L CA -0.110 54.623 54.840 -0.179 0.000 0.810 28 L CB 0.797 42.787 42.059 -0.115 0.000 1.193 28 L HN 0.688 nan 8.230 nan 0.000 0.425 29 I N 6.915 127.328 120.570 -0.262 0.000 2.330 29 I HA 0.379 4.556 4.170 0.011 0.000 0.286 29 I C 0.088 176.202 176.117 -0.006 0.000 1.025 29 I CA -0.279 60.915 61.300 -0.177 0.000 1.197 29 I CB 1.232 39.002 38.000 -0.384 0.000 1.358 29 I HN 0.426 nan 8.210 nan 0.000 0.467 30 V N 2.685 122.619 119.914 0.033 0.000 3.204 30 V HA 0.907 5.034 4.120 0.011 0.000 0.316 30 V C -0.620 175.531 176.094 0.096 0.000 1.160 30 V CA -0.765 61.578 62.300 0.072 0.000 1.044 30 V CB 2.086 33.931 31.823 0.036 0.000 1.136 30 V HN 0.641 nan 8.190 nan 0.000 0.455 31 D N -0.848 119.610 120.400 0.096 0.000 2.497 31 D HA 0.342 4.989 4.640 0.011 0.000 0.243 31 D C 0.821 177.163 176.300 0.070 0.000 1.039 31 D CA -0.703 53.353 54.000 0.094 0.000 1.052 31 D CB 1.022 41.890 40.800 0.112 0.000 1.344 31 D HN 0.351 nan 8.370 nan 0.000 0.553 32 Q N -0.137 119.702 119.800 0.065 0.000 2.082 32 Q HA -0.167 4.180 4.340 0.011 0.000 0.211 32 Q C 1.918 177.948 176.000 0.051 0.000 1.002 32 Q CA 1.381 57.216 55.803 0.054 0.000 0.868 32 Q CB -0.534 28.236 28.738 0.053 0.000 0.931 32 Q HN 0.592 nan 8.270 nan 0.000 0.414 33 L N 0.711 121.966 121.223 0.054 0.000 2.007 33 L HA -0.182 4.164 4.340 0.011 0.000 0.205 33 L C 2.693 179.585 176.870 0.036 0.000 1.073 33 L CA 1.564 56.433 54.840 0.048 0.000 0.744 33 L CB -0.542 41.549 42.059 0.053 0.000 0.898 33 L HN 0.346 nan 8.230 nan 0.000 0.435 34 S N -0.009 115.716 115.700 0.041 0.000 2.378 34 S HA -0.389 4.088 4.470 0.011 0.000 0.229 34 S C 1.943 176.552 174.600 0.015 0.000 1.052 34 S CA 2.030 60.247 58.200 0.028 0.000 1.084 34 S CB -0.833 62.399 63.200 0.054 0.000 0.950 34 S HN 0.425 nan 8.310 nan 0.000 0.440 35 M N 2.701 122.316 119.600 0.026 0.000 2.082 35 M HA -0.142 4.344 4.480 0.011 0.000 0.258 35 M C 2.179 178.491 176.300 0.020 0.000 1.069 35 M CA 1.767 57.078 55.300 0.018 0.000 1.102 35 M CB -0.604 32.011 32.600 0.025 0.000 1.336 35 M HN 0.377 nan 8.290 nan 0.000 0.404 36 R N -0.658 119.861 120.500 0.031 0.000 2.097 36 R HA -0.199 4.148 4.340 0.011 0.000 0.236 36 R C 2.389 178.711 176.300 0.038 0.000 1.135 36 R CA 1.935 58.062 56.100 0.044 0.000 0.934 36 R CB -1.154 29.178 30.300 0.053 0.000 0.846 36 R HN 0.460 nan 8.270 nan 0.000 0.431 37 M N 1.321 120.928 119.600 0.012 0.000 2.108 37 M HA -0.176 4.310 4.480 0.011 0.000 0.257 37 M C 2.071 178.361 176.300 -0.017 0.000 1.071 37 M CA 1.876 57.161 55.300 -0.026 0.000 1.093 37 M CB -0.269 32.281 32.600 -0.085 0.000 1.345 37 M HN 0.081 nan 8.290 nan 0.000 0.403 38 V N -0.123 119.782 119.914 -0.014 0.000 2.358 38 V HA -0.211 3.915 4.120 0.011 0.000 0.246 38 V C 2.400 178.498 176.094 0.005 0.000 1.047 38 V CA 1.844 64.134 62.300 -0.017 0.000 1.035 38 V CB -0.978 30.827 31.823 -0.030 0.000 0.658 38 V HN 0.489 nan 8.190 nan 0.000 0.452 39 S N 0.793 116.504 115.700 0.018 0.000 2.359 39 S HA -0.243 4.234 4.470 0.011 0.000 0.224 39 S C 2.279 176.908 174.600 0.049 0.000 1.035 39 S CA 1.568 59.786 58.200 0.029 0.000 1.018 39 S CB -0.634 62.589 63.200 0.038 0.000 0.876 39 S HN 0.661 nan 8.310 nan 0.000 0.448 40 A N 1.044 123.906 122.820 0.070 0.000 1.883 40 A HA -0.210 4.117 4.320 0.011 0.000 0.217 40 A C 2.466 180.104 177.584 0.090 0.000 1.186 40 A CA 1.899 53.994 52.037 0.097 0.000 0.624 40 A CB -1.220 17.859 19.000 0.131 0.000 0.822 40 A HN 0.828 nan 8.150 nan 0.000 0.444 41 C N -3.722 115.629 119.300 0.085 0.000 2.791 41 C HA 0.576 5.042 4.460 0.011 0.000 0.270 41 C C 0.691 175.768 174.990 0.145 0.000 1.257 41 C CA -1.192 57.892 59.018 0.110 0.000 1.699 41 C CB -1.909 25.908 27.740 0.128 0.000 1.904 41 C HN 0.460 nan 8.230 nan 0.000 0.603 42 C N 2.597 121.950 119.300 0.089 0.000 2.547 42 C HA 0.576 5.043 4.460 0.011 0.000 0.313 42 C C -0.312 174.671 174.990 -0.011 0.000 1.191 42 C CA -0.656 58.409 59.018 0.078 0.000 1.474 42 C CB 1.315 29.068 27.740 0.023 0.000 2.081 42 C HN 0.401 nan 8.230 nan 0.000 0.476 43 K N 2.838 123.190 120.400 -0.080 0.000 2.270 43 K HA 0.242 4.569 4.320 0.011 0.000 0.276 43 K C 0.981 177.434 176.600 -0.245 0.000 1.023 43 K CA -0.417 55.762 56.287 -0.179 0.000 0.955 43 K CB 0.609 32.891 32.500 -0.363 0.000 0.975 43 K HN 0.539 nan 8.250 nan 0.000 0.471 44 M N 2.245 121.768 119.600 -0.127 0.000 2.065 44 M HA -0.177 4.310 4.480 0.011 0.000 0.259 44 M C 2.127 178.361 176.300 -0.110 0.000 1.069 44 M CA 1.848 57.099 55.300 -0.081 0.000 1.110 44 M CB -1.361 31.238 32.600 -0.002 0.000 1.328 44 M HN 0.701 nan 8.290 nan 0.000 0.405 45 H N -0.461 118.596 119.070 -0.021 0.000 2.387 45 H HA -0.079 4.484 4.556 0.012 0.000 0.299 45 H C 1.552 176.867 175.328 -0.022 0.000 1.099 45 H CA 1.480 57.510 56.048 -0.029 0.000 1.315 45 H CB -1.006 28.741 29.762 -0.025 0.000 1.380 45 H HN 0.473 nan 8.280 nan 0.000 0.513 46 E N 0.642 120.510 120.200 -0.554 0.000 2.147 46 E HA -0.161 4.195 4.350 0.011 0.000 0.199 46 E C 2.322 178.851 176.600 -0.118 0.000 1.005 46 E CA 1.683 57.934 56.400 -0.249 0.000 0.810 46 E CB -0.001 29.568 29.700 -0.219 0.000 0.736 46 E HN 0.589 nan 8.360 nan 0.000 0.460 47 I N -0.105 120.389 120.570 -0.127 0.000 2.628 47 I HA -0.138 4.038 4.170 0.011 0.000 0.255 47 I C 2.076 178.143 176.117 -0.083 0.000 1.119 47 I CA 0.245 61.483 61.300 -0.102 0.000 1.448 47 I CB -0.046 37.890 38.000 -0.107 0.000 1.133 47 I HN 0.053 nan 8.210 nan 0.000 0.438 48 M N 0.533 120.089 119.600 -0.073 0.000 2.549 48 M HA -0.052 4.434 4.480 0.011 0.000 0.260 48 M C 1.981 178.233 176.300 -0.080 0.000 1.076 48 M CA 1.140 56.394 55.300 -0.078 0.000 1.090 48 M CB -1.343 31.221 32.600 -0.059 0.000 1.418 48 M HN 0.310 nan 8.290 nan 0.000 0.486 49 S N -1.236 114.440 115.700 -0.041 0.000 2.572 49 S HA 0.184 4.661 4.470 0.011 0.000 0.228 49 S C 0.767 175.354 174.600 -0.021 0.000 0.963 49 S CA -0.309 57.875 58.200 -0.027 0.000 0.939 49 S CB 0.216 63.431 63.200 0.024 0.000 0.804 49 S HN 0.291 nan 8.310 nan 0.000 0.480 50 E N 0.597 120.777 120.200 -0.035 0.000 2.734 50 E HA 0.320 4.677 4.350 0.011 0.000 0.211 50 E C 0.994 177.588 176.600 -0.011 0.000 0.991 50 E CA 0.318 56.706 56.400 -0.021 0.000 1.065 50 E CB 0.628 30.304 29.700 -0.040 0.000 1.047 50 E HN 0.620 nan 8.360 nan 0.000 0.470 51 G N 0.958 109.753 108.800 -0.009 0.000 2.278 51 G HA2 -0.234 3.732 3.960 0.011 0.000 0.210 51 G HA3 -0.234 3.732 3.960 0.011 0.000 0.210 51 G C 0.200 175.097 174.900 -0.006 0.000 1.000 51 G CA -0.373 44.754 45.100 0.045 0.000 0.635 51 G HN 0.174 nan 8.290 nan 0.000 0.495 52 I N 1.812 122.343 120.570 -0.064 0.000 2.416 52 I HA 0.535 4.712 4.170 0.011 0.000 0.288 52 I C 1.383 177.416 176.117 -0.141 0.000 1.051 52 I CA 1.029 62.277 61.300 -0.086 0.000 1.375 52 I CB 1.771 39.716 38.000 -0.091 0.000 1.407 52 I HN 0.091 nan 8.210 nan 0.000 0.516 53 T N 6.517 120.977 114.554 -0.157 0.000 3.040 53 T HA 0.448 4.805 4.350 0.011 0.000 0.266 53 T C -0.205 174.408 174.700 -0.145 0.000 1.005 53 T CA -0.061 61.903 62.100 -0.227 0.000 0.906 53 T CB -0.099 68.539 68.868 -0.383 0.000 1.082 53 T HN 0.471 nan 8.240 nan 0.000 0.531 54 L N 0.818 121.979 121.223 -0.104 0.000 2.703 54 L HA 0.553 4.899 4.340 0.011 0.000 0.257 54 L C -2.168 174.658 176.870 -0.074 0.000 0.923 54 L CA -0.797 53.998 54.840 -0.075 0.000 0.936 54 L CB 1.789 43.817 42.059 -0.052 0.000 1.482 54 L HN -0.201 nan 8.230 nan 0.000 0.432 55 V N 3.927 123.807 119.914 -0.056 0.000 2.448 55 V HA 0.575 4.702 4.120 0.011 0.000 0.295 55 V C -0.265 175.812 176.094 -0.029 0.000 1.025 55 V CA -0.612 61.656 62.300 -0.053 0.000 0.859 55 V CB 1.589 33.386 31.823 -0.044 0.000 0.988 55 V HN 0.679 nan 8.190 nan 0.000 0.431 56 E N 2.063 122.245 120.200 -0.029 0.000 2.259 56 E HA 0.428 4.785 4.350 0.011 0.000 0.257 56 E C -1.174 175.442 176.600 0.027 0.000 0.998 56 E CA -0.736 55.670 56.400 0.010 0.000 0.866 56 E CB 2.098 31.820 29.700 0.036 0.000 1.220 56 E HN 0.635 nan 8.360 nan 0.000 0.415 57 D N 0.987 121.418 120.400 0.052 0.000 2.303 57 D HA 0.105 4.752 4.640 0.011 0.000 0.236 57 D C 0.778 177.139 176.300 0.101 0.000 1.068 57 D CA -0.599 53.441 54.000 0.067 0.000 0.830 57 D CB 1.064 41.898 40.800 0.057 0.000 1.109 57 D HN 0.252 nan 8.370 nan 0.000 0.496 58 I N 4.624 125.273 120.570 0.130 0.000 2.315 58 I HA -0.272 3.904 4.170 0.011 0.000 0.251 58 I C 1.259 177.468 176.117 0.153 0.000 1.125 58 I CA 1.459 62.872 61.300 0.188 0.000 1.392 58 I CB -0.241 37.894 38.000 0.225 0.000 1.065 58 I HN 0.364 nan 8.210 nan 0.000 0.424 59 N N 1.863 120.631 118.700 0.113 0.000 2.141 59 N HA -0.093 4.654 4.740 0.011 0.000 0.187 59 N C 0.269 175.825 175.510 0.077 0.000 1.068 59 N CA 0.695 53.799 53.050 0.090 0.000 0.906 59 N CB -0.836 37.695 38.487 0.073 0.000 1.069 59 N HN 0.344 nan 8.380 nan 0.000 0.461 60 R N 2.614 123.151 120.500 0.062 0.000 3.908 60 R HA -0.014 4.332 4.340 0.011 0.000 0.299 60 R C -0.022 176.311 176.300 0.055 0.000 0.624 60 R CA 0.054 56.184 56.100 0.050 0.000 0.997 60 R CB -0.402 29.924 30.300 0.042 0.000 0.917 60 R HN 0.130 nan 8.270 nan 0.000 0.339 61 R N 2.541 123.071 120.500 0.050 0.000 2.644 61 R HA -0.084 4.262 4.340 0.011 0.000 0.265 61 R C 0.418 176.740 176.300 0.037 0.000 0.985 61 R CA 0.667 56.794 56.100 0.045 0.000 1.097 61 R CB 0.066 30.381 30.300 0.024 0.000 0.931 61 R HN 0.633 nan 8.270 nan 0.000 0.419 62 R N 0.366 120.889 120.500 0.037 0.000 2.987 62 R HA 0.305 4.652 4.340 0.011 0.000 0.248 62 R C -0.560 175.740 176.300 -0.001 0.000 1.264 62 R CA -0.996 55.124 56.100 0.034 0.000 1.026 62 R CB -0.025 30.320 30.300 0.074 0.000 1.286 62 R HN 0.479 nan 8.270 nan 0.000 0.483 63 E N 0.907 121.112 120.200 0.009 0.000 2.415 63 E HA 0.145 4.501 4.350 0.011 0.000 0.263 63 E C -2.013 174.552 176.600 -0.058 0.000 0.995 63 E CA -1.573 54.817 56.400 -0.017 0.000 0.915 63 E CB -0.181 29.525 29.700 0.009 0.000 0.951 63 E HN 0.291 nan 8.360 nan 0.000 0.449 64 P HA 0.189 nan 4.420 nan 0.000 0.281 64 P C -0.741 176.474 177.300 -0.141 0.000 1.286 64 P CA -0.079 62.867 63.100 -0.257 0.000 0.772 64 P CB 0.405 31.955 31.700 -0.249 0.000 0.862 65 L N 6.789 127.958 121.223 -0.091 0.000 2.435 65 L HA 0.330 4.677 4.340 0.011 0.000 0.253 65 L C -1.763 175.145 176.870 0.064 0.000 1.087 65 L CA -1.675 53.205 54.840 0.067 0.000 0.950 65 L CB 1.597 43.783 42.059 0.212 0.000 1.304 65 L HN 0.211 nan 8.230 nan 0.000 0.453 66 P HA -0.038 nan 4.420 nan 0.000 0.239 66 P C 1.278 178.580 177.300 0.004 0.000 1.184 66 P CA 0.835 63.903 63.100 -0.053 0.000 0.760 66 P CB 0.323 31.972 31.700 -0.085 0.000 0.884 67 L N -2.256 118.988 121.223 0.035 0.000 2.513 67 L HA 0.170 4.517 4.340 0.011 0.000 0.222 67 L C 0.823 177.728 176.870 0.059 0.000 1.096 67 L CA 0.195 55.056 54.840 0.034 0.000 0.857 67 L CB -0.034 42.037 42.059 0.021 0.000 1.026 67 L HN -0.061 nan 8.230 nan 0.000 0.469 68 L N -0.375 120.910 121.223 0.103 0.000 2.334 68 L HA 0.384 4.731 4.340 0.011 0.000 0.273 68 L C -0.095 176.852 176.870 0.128 0.000 1.013 68 L CA -0.672 54.239 54.840 0.118 0.000 0.816 68 L CB 1.723 43.864 42.059 0.137 0.000 1.278 68 L HN -0.017 nan 8.230 nan 0.000 0.431 69 E N 1.151 121.422 120.200 0.120 0.000 2.349 69 E HA 0.569 4.925 4.350 0.011 0.000 0.265 69 E C -0.596 176.026 176.600 0.037 0.000 1.064 69 E CA -0.603 55.881 56.400 0.141 0.000 0.886 69 E CB 1.664 31.503 29.700 0.231 0.000 1.036 69 E HN 0.654 nan 8.360 nan 0.000 0.413 70 A N 1.849 124.667 122.820 -0.003 0.000 2.337 70 A HA 0.509 4.836 4.320 0.011 0.000 0.329 70 A C -0.740 176.769 177.584 -0.125 0.000 1.146 70 A CA -0.671 51.172 52.037 -0.322 0.000 0.800 70 A CB 1.215 19.752 19.000 -0.772 0.000 1.220 70 A HN 0.349 nan 8.150 nan 0.000 0.472 71 V N 2.501 122.291 119.914 -0.207 0.000 2.384 71 V HA 0.305 4.432 4.120 0.011 0.000 0.287 71 V C -1.311 174.706 176.094 -0.128 0.000 1.020 71 V CA -0.231 62.087 62.300 0.030 0.000 0.850 71 V CB 0.743 32.604 31.823 0.062 0.000 0.987 71 V HN 0.753 nan 8.190 nan 0.000 0.436 72 Y N 5.237 125.629 120.300 0.153 0.000 2.385 72 Y HA 0.553 5.111 4.550 0.013 0.000 0.341 72 Y C -0.076 175.909 175.900 0.141 0.000 0.965 72 Y CA -0.602 57.556 58.100 0.096 0.000 1.180 72 Y CB 1.575 40.047 38.460 0.020 0.000 1.139 72 Y HN 0.483 nan 8.280 nan 0.000 0.502 73 L N 7.368 128.723 121.223 0.220 0.000 2.435 73 L HA 0.491 4.838 4.340 0.011 0.000 0.253 73 L C -0.893 176.078 176.870 0.168 0.000 1.087 73 L CA -0.606 54.338 54.840 0.173 0.000 0.950 73 L CB -0.260 41.837 42.059 0.064 0.000 1.304 73 L HN 0.493 nan 8.230 nan 0.000 0.453 74 I N -0.540 120.159 120.570 0.215 0.000 3.108 74 I HA 0.589 4.766 4.170 0.011 0.000 0.312 74 I C -0.397 175.871 176.117 0.253 0.000 1.095 74 I CA -0.615 60.818 61.300 0.222 0.000 1.000 74 I CB 1.675 39.830 38.000 0.257 0.000 1.229 74 I HN 0.181 nan 8.210 nan 0.000 0.454 75 T N 5.354 120.027 114.554 0.199 0.000 2.749 75 T HA 0.354 4.710 4.350 0.011 0.000 0.295 75 T C -2.368 172.435 174.700 0.172 0.000 0.936 75 T CA -0.835 61.366 62.100 0.168 0.000 1.060 75 T CB 0.517 69.450 68.868 0.108 0.000 0.904 75 T HN 0.487 nan 8.240 nan 0.000 0.500 76 P HA 0.060 nan 4.420 nan 0.000 0.252 76 P C -0.010 177.261 177.300 -0.047 0.000 1.635 76 P CA -0.062 63.001 63.100 -0.062 0.000 1.206 76 P CB -0.648 30.789 31.700 -0.438 0.000 1.911 77 T N -1.520 113.051 114.554 0.027 0.000 2.927 77 T HA 0.298 4.655 4.350 0.011 0.000 0.286 77 T C 1.191 175.909 174.700 0.030 0.000 1.040 77 T CA -0.595 61.519 62.100 0.024 0.000 1.010 77 T CB 1.773 70.668 68.868 0.046 0.000 1.177 77 T HN -0.004 nan 8.240 nan 0.000 0.546 78 E N 0.477 120.693 120.200 0.027 0.000 2.023 78 E HA -0.153 4.204 4.350 0.011 0.000 0.196 78 E C 1.817 178.444 176.600 0.045 0.000 1.003 78 E CA 2.005 58.423 56.400 0.030 0.000 0.809 78 E CB -0.296 29.420 29.700 0.026 0.000 0.755 78 E HN 0.760 nan 8.360 nan 0.000 0.449 79 E N -0.145 120.086 120.200 0.052 0.000 2.002 79 E HA -0.247 4.109 4.350 0.011 0.000 0.213 79 E C 2.191 178.840 176.600 0.081 0.000 1.024 79 E CA 1.506 57.944 56.400 0.063 0.000 0.876 79 E CB -0.431 29.308 29.700 0.065 0.000 0.799 79 E HN 0.145 nan 8.360 nan 0.000 0.497 80 S N 0.507 116.265 115.700 0.098 0.000 2.407 80 S HA -0.241 4.235 4.470 0.011 0.000 0.244 80 S C 2.197 176.873 174.600 0.127 0.000 1.077 80 S CA 1.864 60.142 58.200 0.130 0.000 1.159 80 S CB -0.665 62.629 63.200 0.157 0.000 1.045 80 S HN 0.126 nan 8.310 nan 0.000 0.438 81 V N 2.422 122.409 119.914 0.122 0.000 2.594 81 V HA -0.203 3.924 4.120 0.011 0.000 0.253 81 V C 2.323 178.464 176.094 0.079 0.000 1.069 81 V CA 2.043 64.413 62.300 0.116 0.000 1.082 81 V CB -0.756 31.125 31.823 0.097 0.000 0.680 81 V HN 0.515 nan 8.190 nan 0.000 0.469 82 K N -0.056 120.388 120.400 0.073 0.000 2.031 82 K HA -0.165 4.162 4.320 0.011 0.000 0.205 82 K C 2.225 178.872 176.600 0.078 0.000 1.049 82 K CA 2.066 58.391 56.287 0.065 0.000 0.939 82 K CB -0.446 32.087 32.500 0.056 0.000 0.717 82 K HN 0.494 nan 8.250 nan 0.000 0.438 83 C N 1.367 120.723 119.300 0.093 0.000 2.425 83 C HA -0.077 4.390 4.460 0.011 0.000 0.277 83 C C 2.579 177.654 174.990 0.141 0.000 1.280 83 C CA 0.417 59.504 59.018 0.115 0.000 1.744 83 C CB -1.030 26.792 27.740 0.137 0.000 1.989 83 C HN 0.583 nan 8.230 nan 0.000 0.491 84 L N 0.557 121.842 121.223 0.102 0.000 1.943 84 L HA -0.244 4.103 4.340 0.011 0.000 0.215 84 L C 2.610 179.571 176.870 0.150 0.000 1.074 84 L CA 2.030 56.885 54.840 0.024 0.000 0.759 84 L CB -0.399 41.566 42.059 -0.156 0.000 0.888 84 L HN 0.316 nan 8.230 nan 0.000 0.433 85 M N -0.643 119.014 119.600 0.095 0.000 2.260 85 M HA -0.214 4.273 4.480 0.011 0.000 0.261 85 M C 2.220 178.627 176.300 0.178 0.000 1.066 85 M CA 1.544 56.921 55.300 0.128 0.000 1.082 85 M CB -0.588 32.053 32.600 0.068 0.000 1.388 85 M HN 0.488 nan 8.290 nan 0.000 0.419 86 A N 0.685 123.590 122.820 0.143 0.000 1.855 86 A HA -0.173 4.154 4.320 0.011 0.000 0.215 86 A C 1.742 179.380 177.584 0.090 0.000 1.191 86 A CA 1.864 53.963 52.037 0.103 0.000 0.613 86 A CB -0.727 18.319 19.000 0.078 0.000 0.829 86 A HN 0.365 nan 8.150 nan 0.000 0.442 87 D N -0.920 119.549 120.400 0.114 0.000 2.228 87 D HA -0.141 4.506 4.640 0.011 0.000 0.203 87 D C 0.448 176.527 176.300 -0.367 0.000 0.988 87 D CA 1.216 55.151 54.000 -0.107 0.000 0.864 87 D CB -0.252 40.547 40.800 -0.002 0.000 0.928 87 D HN 0.524 nan 8.370 nan 0.000 0.469 88 F N -0.252 119.721 119.950 0.039 0.000 2.764 88 F HA 0.212 4.745 4.527 0.010 0.000 0.310 88 F C 1.819 177.697 175.800 0.130 0.000 1.124 88 F CA -0.579 57.480 58.000 0.098 0.000 1.252 88 F CB -0.280 38.860 39.000 0.233 0.000 1.010 88 F HN -0.212 nan 8.300 nan 0.000 0.518 89 Q N 2.077 121.990 119.800 0.188 0.000 2.325 89 Q HA -0.196 4.150 4.340 0.011 0.000 0.211 89 Q C -0.353 175.716 176.000 0.113 0.000 0.988 89 Q CA 1.580 57.458 55.803 0.126 0.000 0.887 89 Q CB 0.007 28.785 28.738 0.067 0.000 0.915 89 Q HN 0.522 nan 8.270 nan 0.000 0.440 90 N N -1.563 117.214 118.700 0.128 0.000 2.666 90 N HA 0.254 5.001 4.740 0.011 0.000 0.260 90 N C -3.223 172.374 175.510 0.145 0.000 1.077 90 N CA -1.388 51.730 53.050 0.113 0.000 1.026 90 N CB 1.019 39.541 38.487 0.057 0.000 1.653 90 N HN -0.224 nan 8.380 nan 0.000 0.533 91 P HA 0.059 nan 4.420 nan 0.000 0.271 91 P C 0.308 177.685 177.300 0.129 0.000 1.233 91 P CA 0.705 63.956 63.100 0.251 0.000 0.795 91 P CB 0.327 32.143 31.700 0.193 0.000 0.936 92 D N -1.047 119.426 120.400 0.121 0.000 2.978 92 D HA -0.230 4.416 4.640 0.011 0.000 0.205 92 D C 0.254 176.555 176.300 0.002 0.000 1.093 92 D CA 1.794 55.825 54.000 0.051 0.000 1.006 92 D CB -1.768 39.056 40.800 0.040 0.000 1.116 92 D HN 0.480 nan 8.370 nan 0.000 0.419 93 N N -1.249 117.442 118.700 -0.015 0.000 2.232 93 N HA 0.278 5.024 4.740 0.011 0.000 0.240 93 N C -2.755 172.642 175.510 -0.189 0.000 1.307 93 N CA -0.750 52.250 53.050 -0.083 0.000 0.859 93 N CB 0.752 39.205 38.487 -0.058 0.000 1.260 93 N HN 0.032 nan 8.380 nan 0.000 0.501 94 P HA -0.043 nan 4.420 nan 0.000 0.256 94 P C 0.448 177.387 177.300 -0.601 0.000 1.173 94 P CA 0.371 63.156 63.100 -0.525 0.000 0.768 94 P CB 0.894 32.231 31.700 -0.604 0.000 0.758 95 Q N 3.760 123.047 119.800 -0.855 0.000 2.197 95 Q HA -0.164 4.183 4.340 0.011 0.000 0.207 95 Q C -0.377 174.953 176.000 -1.117 0.000 0.984 95 Q CA 1.850 57.084 55.803 -0.949 0.000 0.869 95 Q CB -0.149 27.940 28.738 -1.082 0.000 0.906 95 Q HN 0.549 nan 8.270 nan 0.000 0.426 96 Y N -2.411 117.565 120.300 -0.541 0.000 2.638 96 Y HA 0.316 4.872 4.550 0.010 0.000 0.339 96 Y C 0.786 176.551 175.900 -0.225 0.000 1.084 96 Y CA -1.142 56.808 58.100 -0.250 0.000 1.068 96 Y CB 0.945 39.367 38.460 -0.063 0.000 1.294 96 Y HN -0.206 nan 8.280 nan 0.000 0.480 97 R N 0.461 121.017 120.500 0.094 0.000 2.189 97 R HA 0.289 4.636 4.340 0.011 0.000 0.218 97 R C 0.216 176.558 176.300 0.070 0.000 1.074 97 R CA 1.314 57.430 56.100 0.027 0.000 0.991 97 R CB -0.072 30.265 30.300 0.063 0.000 0.883 97 R HN 0.846 nan 8.270 nan 0.000 0.457 98 G N -1.145 107.768 108.800 0.188 0.000 2.619 98 G HA2 0.607 4.574 3.960 0.011 0.000 0.305 98 G HA3 0.607 4.574 3.960 0.011 0.000 0.305 98 G C -1.903 173.123 174.900 0.209 0.000 1.330 98 G CA -0.420 44.783 45.100 0.172 0.000 0.789 98 G HN 0.289 nan 8.290 nan 0.000 0.487 99 A N -0.028 122.757 122.820 -0.060 0.000 2.465 99 A HA 0.712 5.039 4.320 0.011 0.000 0.292 99 A C -1.545 175.881 177.584 -0.264 0.000 1.041 99 A CA -0.600 51.418 52.037 -0.031 0.000 0.718 99 A CB 1.196 20.085 19.000 -0.186 0.000 1.266 99 A HN 0.713 nan 8.150 nan 0.000 0.403 100 H N 2.774 121.898 119.070 0.090 0.000 2.685 100 H HA 0.423 4.985 4.556 0.011 0.000 0.307 100 H C -0.923 174.327 175.328 -0.129 0.000 1.017 100 H CA -0.136 55.877 56.048 -0.057 0.000 1.237 100 H CB 1.174 31.013 29.762 0.129 0.000 1.409 100 H HN 0.541 nan 8.280 nan 0.000 0.488 101 I N 4.124 124.468 120.570 -0.376 0.000 2.354 101 I HA 0.203 4.380 4.170 0.011 0.000 0.292 101 I C -0.592 175.028 176.117 -0.828 0.000 0.989 101 I CA -0.459 60.568 61.300 -0.456 0.000 1.188 101 I CB 0.746 38.412 38.000 -0.558 0.000 1.342 101 I HN 0.293 nan 8.210 nan 0.000 0.457 102 F N 6.171 125.985 119.950 -0.226 0.000 2.500 102 F HA 0.422 4.956 4.527 0.010 0.000 0.349 102 F C -0.429 175.294 175.800 -0.129 0.000 1.127 102 F CA -0.564 57.342 58.000 -0.157 0.000 0.998 102 F CB 0.808 39.784 39.000 -0.039 0.000 1.237 102 F HN 0.176 nan 8.300 nan 0.000 0.439 103 F N 1.712 121.762 119.950 0.166 0.000 2.445 103 F HA 0.183 4.722 4.527 0.019 0.000 0.359 103 F C 1.750 177.614 175.800 0.106 0.000 1.101 103 F CA -0.163 57.904 58.000 0.111 0.000 1.177 103 F CB 0.860 39.889 39.000 0.048 0.000 1.110 103 F HN 0.462 nan 8.300 nan 0.000 0.522 104 T N 1.685 116.409 114.554 0.283 0.000 2.778 104 T HA -0.155 4.201 4.350 0.011 0.000 0.269 104 T C 0.494 175.278 174.700 0.139 0.000 1.050 104 T CA 1.632 63.829 62.100 0.161 0.000 1.137 104 T CB -0.338 68.597 68.868 0.113 0.000 0.860 104 T HN 0.757 nan 8.240 nan 0.000 0.468 105 E N -0.926 119.364 120.200 0.150 0.000 2.445 105 E HA 0.646 5.003 4.350 0.011 0.000 0.279 105 E C -1.139 175.494 176.600 0.056 0.000 1.018 105 E CA -1.217 55.248 56.400 0.108 0.000 0.816 105 E CB 1.303 31.054 29.700 0.084 0.000 1.356 105 E HN -0.018 nan 8.360 nan 0.000 0.462 106 A N 0.791 123.623 122.820 0.019 0.000 2.583 106 A HA 0.045 4.371 4.320 0.011 0.000 0.249 106 A C 0.376 177.855 177.584 -0.176 0.000 1.035 106 A CA 0.136 52.127 52.037 -0.077 0.000 0.777 106 A CB -0.631 18.327 19.000 -0.070 0.000 0.942 106 A HN 0.655 nan 8.150 nan 0.000 0.516 107 C N 5.718 124.818 119.300 -0.332 0.000 2.514 107 C HA 0.540 5.007 4.460 0.011 0.000 0.392 107 C C -2.305 172.502 174.990 -0.305 0.000 1.294 107 C CA -1.970 56.747 59.018 -0.503 0.000 1.957 107 C CB -0.150 27.028 27.740 -0.937 0.000 2.541 107 C HN 0.730 nan 8.230 nan 0.000 0.569 108 P HA 0.120 nan 4.420 nan 0.000 0.271 108 P C 0.366 177.646 177.300 -0.034 0.000 1.226 108 P CA 0.396 63.436 63.100 -0.101 0.000 0.765 108 P CB 0.526 32.185 31.700 -0.068 0.000 0.835 109 E N 3.266 123.464 120.200 -0.002 0.000 2.331 109 E HA -0.227 4.129 4.350 0.011 0.000 0.199 109 E C 1.567 178.242 176.600 0.125 0.000 1.008 109 E CA 1.002 57.475 56.400 0.122 0.000 0.843 109 E CB -0.311 29.439 29.700 0.083 0.000 0.761 109 E HN 0.625 nan 8.360 nan 0.000 0.507 110 E N 1.537 121.769 120.200 0.053 0.000 2.015 110 E HA -0.166 4.191 4.350 0.011 0.000 0.191 110 E C 2.229 178.847 176.600 0.031 0.000 0.991 110 E CA 0.809 57.227 56.400 0.031 0.000 0.802 110 E CB -0.725 28.982 29.700 0.012 0.000 0.759 110 E HN 0.310 nan 8.360 nan 0.000 0.447 111 L N -0.113 121.127 121.223 0.029 0.000 2.083 111 L HA -0.121 4.226 4.340 0.011 0.000 0.209 111 L C 2.779 179.684 176.870 0.058 0.000 1.083 111 L CA 1.298 56.153 54.840 0.024 0.000 0.752 111 L CB -0.528 41.532 42.059 0.001 0.000 0.899 111 L HN 0.095 nan 8.230 nan 0.000 0.433 112 F N 1.298 121.199 119.950 -0.082 0.000 2.161 112 F HA -0.279 4.252 4.527 0.007 0.000 0.300 112 F C 2.477 178.261 175.800 -0.027 0.000 1.089 112 F CA 1.837 59.801 58.000 -0.060 0.000 1.282 112 F CB -0.167 38.786 39.000 -0.078 0.000 1.010 112 F HN -0.117 nan 8.300 nan 0.000 0.485 113 K N 0.839 121.184 120.400 -0.091 0.000 2.001 113 K HA -0.204 4.123 4.320 0.011 0.000 0.208 113 K C 2.205 178.710 176.600 -0.158 0.000 1.048 113 K CA 1.912 58.096 56.287 -0.172 0.000 0.932 113 K CB -0.702 31.766 32.500 -0.054 0.000 0.715 113 K HN 0.419 nan 8.250 nan 0.000 0.437 114 E N -0.257 119.893 120.200 -0.083 0.000 2.130 114 E HA -0.226 4.131 4.350 0.011 0.000 0.196 114 E C 1.869 178.421 176.600 -0.079 0.000 0.998 114 E CA 1.362 57.725 56.400 -0.061 0.000 0.806 114 E CB -0.153 29.532 29.700 -0.025 0.000 0.738 114 E HN 0.261 nan 8.360 nan 0.000 0.459 115 L N 0.311 121.477 121.223 -0.095 0.000 2.072 115 L HA -0.090 4.257 4.340 0.011 0.000 0.205 115 L C 2.177 178.945 176.870 -0.170 0.000 1.079 115 L CA 1.504 56.288 54.840 -0.094 0.000 0.752 115 L CB -0.561 41.484 42.059 -0.023 0.000 0.906 115 L HN 0.266 nan 8.230 nan 0.000 0.436 116 C N 0.143 119.265 119.300 -0.297 0.000 2.449 116 C HA -0.016 4.450 4.460 0.011 0.000 0.283 116 C C 2.127 176.998 174.990 -0.199 0.000 1.453 116 C CA 0.365 59.197 59.018 -0.309 0.000 1.779 116 C CB -1.096 26.359 27.740 -0.476 0.000 1.779 116 C HN 0.421 nan 8.230 nan 0.000 0.546 117 K N 0.247 120.552 120.400 -0.158 0.000 2.374 117 K HA 0.219 4.546 4.320 0.011 0.000 0.202 117 K C 0.720 177.269 176.600 -0.086 0.000 1.040 117 K CA 0.092 56.312 56.287 -0.112 0.000 1.085 117 K CB 0.213 32.657 32.500 -0.094 0.000 0.873 117 K HN 0.260 nan 8.250 nan 0.000 0.539 118 S N 1.241 116.889 115.700 -0.086 0.000 2.587 118 S HA -0.013 4.464 4.470 0.011 0.000 0.260 118 S C 1.474 176.046 174.600 -0.047 0.000 1.353 118 S CA 0.430 58.600 58.200 -0.050 0.000 0.995 118 S CB 0.773 63.950 63.200 -0.038 0.000 0.912 118 S HN 0.485 nan 8.310 nan 0.000 0.568 119 T N -1.330 113.223 114.554 -0.002 0.000 3.163 119 T HA -0.017 4.340 4.350 0.011 0.000 0.260 119 T C 1.194 175.911 174.700 0.029 0.000 1.156 119 T CA 1.002 63.108 62.100 0.012 0.000 1.072 119 T CB -0.412 68.497 68.868 0.069 0.000 0.937 119 T HN 0.506 nan 8.240 nan 0.000 0.528 120 T N 1.050 115.619 114.554 0.025 0.000 3.065 120 T HA 0.442 4.799 4.350 0.011 0.000 0.252 120 T C 2.361 176.977 174.700 -0.140 0.000 1.099 120 T CA 0.378 62.488 62.100 0.017 0.000 1.063 120 T CB -0.245 68.585 68.868 -0.063 0.000 0.948 120 T HN 0.543 nan 8.240 nan 0.000 0.506 121 A N 3.373 126.095 122.820 -0.163 0.000 1.917 121 A HA -0.211 4.116 4.320 0.011 0.000 0.219 121 A C 2.380 179.832 177.584 -0.221 0.000 1.182 121 A CA 1.463 53.391 52.037 -0.182 0.000 0.633 121 A CB -0.399 18.504 19.000 -0.160 0.000 0.819 121 A HN 0.463 nan 8.150 nan 0.000 0.448 122 R N -0.811 119.483 120.500 -0.343 0.000 2.285 122 R HA 0.005 4.352 4.340 0.011 0.000 0.213 122 R C 1.202 177.278 176.300 -0.373 0.000 1.068 122 R CA 1.401 57.255 56.100 -0.410 0.000 1.004 122 R CB -1.110 28.856 30.300 -0.557 0.000 0.873 122 R HN 0.589 nan 8.270 nan 0.000 0.467 123 F N 0.832 120.723 119.950 -0.099 0.000 2.678 123 F HA 0.351 4.884 4.527 0.010 0.000 0.291 123 F C 1.124 176.799 175.800 -0.210 0.000 1.123 123 F CA -0.709 57.224 58.000 -0.113 0.000 1.395 123 F CB 0.281 39.220 39.000 -0.101 0.000 1.121 123 F HN -0.224 nan 8.300 nan 0.000 0.592 124 I N 2.669 123.183 120.570 -0.094 0.000 2.671 124 I HA -0.096 4.081 4.170 0.011 0.000 0.285 124 I C 0.926 176.959 176.117 -0.141 0.000 1.148 124 I CA 0.376 61.574 61.300 -0.169 0.000 1.386 124 I CB 0.540 38.436 38.000 -0.173 0.000 1.406 124 I HN 0.080 nan 8.210 nan 0.000 0.540 125 K N 3.909 124.182 120.400 -0.213 0.000 2.354 125 K HA 0.231 4.558 4.320 0.011 0.000 0.194 125 K C 0.070 176.629 176.600 -0.067 0.000 1.045 125 K CA 0.448 56.637 56.287 -0.163 0.000 1.026 125 K CB 0.657 32.983 32.500 -0.289 0.000 0.866 125 K HN 0.511 nan 8.250 nan 0.000 0.530 126 T N 0.943 115.424 114.554 -0.122 0.000 3.041 126 T HA 0.429 4.786 4.350 0.011 0.000 0.321 126 T C -1.725 172.796 174.700 -0.299 0.000 1.184 126 T CA -0.584 61.444 62.100 -0.121 0.000 1.050 126 T CB 1.823 70.680 68.868 -0.019 0.000 1.159 126 T HN -0.110 nan 8.240 nan 0.000 0.469 127 L N 3.477 124.546 121.223 -0.256 0.000 2.518 127 L HA 0.643 4.989 4.340 0.011 0.000 0.262 127 L C -1.164 175.610 176.870 -0.158 0.000 0.982 127 L CA -0.148 54.552 54.840 -0.234 0.000 0.873 127 L CB 0.839 42.863 42.059 -0.058 0.000 1.198 127 L HN 0.579 nan 8.230 nan 0.000 0.427 128 K N 2.877 123.133 120.400 -0.241 0.000 2.509 128 K HA 0.590 4.917 4.320 0.011 0.000 0.266 128 K C -1.216 175.442 176.600 0.096 0.000 0.987 128 K CA -0.861 55.409 56.287 -0.027 0.000 0.868 128 K CB 2.624 35.168 32.500 0.074 0.000 1.421 128 K HN 0.380 nan 8.250 nan 0.000 0.444 129 E N 2.073 122.364 120.200 0.153 0.000 2.129 129 E HA 0.186 4.543 4.350 0.011 0.000 0.268 129 E C 0.461 177.168 176.600 0.180 0.000 0.900 129 E CA -0.211 56.309 56.400 0.200 0.000 0.755 129 E CB 0.998 30.769 29.700 0.118 0.000 1.117 129 E HN 0.546 nan 8.360 nan 0.000 0.410 130 I N -0.403 120.287 120.570 0.200 0.000 3.427 130 I HA 0.130 4.307 4.170 0.011 0.000 0.288 130 I C -0.335 175.866 176.117 0.139 0.000 1.249 130 I CA -0.322 61.072 61.300 0.155 0.000 1.421 130 I CB 0.068 38.141 38.000 0.120 0.000 1.086 130 I HN 0.318 nan 8.210 nan 0.000 0.448 131 N N 3.062 121.854 118.700 0.154 0.000 2.568 131 N HA -0.143 4.603 4.740 0.011 0.000 0.277 131 N C -0.717 174.871 175.510 0.129 0.000 1.200 131 N CA 0.754 53.906 53.050 0.171 0.000 0.702 131 N CB -1.186 37.462 38.487 0.267 0.000 0.889 131 N HN 0.566 nan 8.380 nan 0.000 0.546 132 I N 0.187 120.795 120.570 0.063 0.000 2.714 132 I HA 0.247 4.423 4.170 0.011 0.000 0.274 132 I C 0.007 176.031 176.117 -0.154 0.000 1.261 132 I CA -0.265 60.982 61.300 -0.089 0.000 1.008 132 I CB 1.214 39.100 38.000 -0.189 0.000 1.289 132 I HN 0.401 nan 8.210 nan 0.000 0.529 133 A N 6.627 129.461 122.820 0.023 0.000 3.264 133 A HA 0.692 5.019 4.320 0.011 0.000 0.299 133 A C -0.490 177.209 177.584 0.191 0.000 1.272 133 A CA -0.233 51.847 52.037 0.073 0.000 1.030 133 A CB -0.460 18.612 19.000 0.120 0.000 1.102 133 A HN 0.555 nan 8.150 nan 0.000 0.615 134 F N -1.927 118.057 119.950 0.057 0.000 2.725 134 F HA 0.641 5.174 4.527 0.009 0.000 0.309 134 F C -1.815 174.066 175.800 0.135 0.000 1.132 134 F CA -1.712 56.356 58.000 0.113 0.000 0.957 134 F CB 0.668 39.696 39.000 0.047 0.000 1.286 134 F HN -0.166 nan 8.300 nan 0.000 0.440 135 L N 2.672 124.068 121.223 0.288 0.000 2.289 135 L HA 0.509 4.856 4.340 0.011 0.000 0.285 135 L C -2.492 174.632 176.870 0.424 0.000 1.049 135 L CA -2.722 52.244 54.840 0.210 0.000 0.804 135 L CB 0.730 42.899 42.059 0.183 0.000 1.195 135 L HN 0.416 nan 8.230 nan 0.000 0.428 136 P HA 0.097 nan 4.420 nan 0.000 0.247 136 P C 0.446 177.980 177.300 0.390 0.000 1.756 136 P CA -0.254 63.103 63.100 0.428 0.000 1.117 136 P CB 0.011 31.906 31.700 0.326 0.000 1.869 137 Y N 2.816 123.270 120.300 0.257 0.000 2.165 137 Y HA -0.140 4.418 4.550 0.013 0.000 0.286 137 Y C 0.694 176.725 175.900 0.217 0.000 1.155 137 Y CA 1.496 59.721 58.100 0.208 0.000 1.164 137 Y CB 0.295 38.862 38.460 0.179 0.000 0.978 137 Y HN 0.262 nan 8.280 nan 0.000 0.513 138 E N -2.642 117.708 120.200 0.249 0.000 2.458 138 E HA 0.194 4.551 4.350 0.011 0.000 0.278 138 E C 0.519 177.267 176.600 0.246 0.000 1.004 138 E CA 0.262 56.776 56.400 0.191 0.000 0.823 138 E CB 1.480 31.309 29.700 0.215 0.000 1.396 138 E HN -0.079 nan 8.360 nan 0.000 0.463 139 S N -0.240 115.611 115.700 0.251 0.000 2.603 139 S HA -0.096 4.381 4.470 0.011 0.000 0.229 139 S C 1.126 175.851 174.600 0.207 0.000 0.972 139 S CA 0.883 59.218 58.200 0.224 0.000 0.935 139 S CB 0.080 63.398 63.200 0.197 0.000 0.769 139 S HN 0.343 nan 8.310 nan 0.000 0.536 140 Q N -0.582 119.330 119.800 0.187 0.000 2.171 140 Q HA 0.519 4.866 4.340 0.011 0.000 0.250 140 Q C -0.944 175.043 176.000 -0.021 0.000 0.791 140 Q CA 0.153 55.936 55.803 -0.034 0.000 0.950 140 Q CB 0.775 29.187 28.738 -0.543 0.000 1.151 140 Q HN 0.516 nan 8.270 nan 0.000 0.480 141 I N 1.322 121.956 120.570 0.108 0.000 2.436 141 I HA 0.380 4.556 4.170 0.011 0.000 0.289 141 I C -0.834 175.453 176.117 0.283 0.000 1.010 141 I CA -1.030 60.338 61.300 0.113 0.000 1.098 141 I CB 1.365 39.434 38.000 0.115 0.000 1.266 141 I HN -0.005 nan 8.210 nan 0.000 0.434 142 F N 3.653 123.697 119.950 0.156 0.000 2.538 142 F HA 0.898 5.431 4.527 0.009 0.000 0.325 142 F C -0.229 175.694 175.800 0.206 0.000 1.066 142 F CA -0.856 57.280 58.000 0.228 0.000 0.946 142 F CB 1.793 40.888 39.000 0.159 0.000 1.199 142 F HN 0.349 nan 8.300 nan 0.000 0.473 143 S N 2.295 118.269 115.700 0.456 0.000 2.536 143 S HA 0.567 5.044 4.470 0.011 0.000 0.287 143 S C -0.436 174.403 174.600 0.399 0.000 1.101 143 S CA -0.821 57.540 58.200 0.268 0.000 0.950 143 S CB 1.330 64.558 63.200 0.046 0.000 1.056 143 S HN 0.842 nan 8.310 nan 0.000 0.481 144 L N 2.674 124.121 121.223 0.373 0.000 2.791 144 L HA 0.354 4.701 4.340 0.011 0.000 0.239 144 L C 0.207 177.210 176.870 0.222 0.000 1.203 144 L CA -0.133 54.909 54.840 0.335 0.000 1.002 144 L CB -0.685 41.596 42.059 0.371 0.000 1.295 144 L HN 0.748 nan 8.230 nan 0.000 0.504 145 D N 1.100 121.603 120.400 0.172 0.000 2.827 145 D HA -0.248 4.398 4.640 0.011 0.000 0.217 145 D C 0.552 176.921 176.300 0.115 0.000 1.233 145 D CA 0.685 54.755 54.000 0.117 0.000 0.618 145 D CB -0.195 40.655 40.800 0.082 0.000 0.984 145 D HN 0.214 nan 8.370 nan 0.000 0.399 146 S N -0.038 115.752 115.700 0.150 0.000 2.062 146 S HA 0.309 4.785 4.470 0.011 0.000 0.163 146 S C -1.487 173.161 174.600 0.080 0.000 1.612 146 S CA -1.166 57.107 58.200 0.122 0.000 1.251 146 S CB 0.783 64.081 63.200 0.164 0.000 1.174 146 S HN 0.072 nan 8.310 nan 0.000 0.428 147 P HA -0.095 nan 4.420 nan 0.000 0.222 147 P C 0.829 178.036 177.300 -0.156 0.000 1.147 147 P CA 0.938 63.796 63.100 -0.404 0.000 0.790 147 P CB 0.170 31.587 31.700 -0.470 0.000 0.780 148 D N -0.473 119.914 120.400 -0.022 0.000 2.269 148 D HA -0.089 4.558 4.640 0.011 0.000 0.208 148 D C 1.657 178.024 176.300 0.112 0.000 0.963 148 D CA 1.071 55.099 54.000 0.046 0.000 0.864 148 D CB -0.499 40.329 40.800 0.046 0.000 0.936 148 D HN 0.003 nan 8.370 nan 0.000 0.505 149 T N -0.363 114.266 114.554 0.124 0.000 2.881 149 T HA -0.144 4.213 4.350 0.011 0.000 0.270 149 T C 1.480 176.264 174.700 0.141 0.000 1.068 149 T CA 0.652 62.829 62.100 0.130 0.000 1.131 149 T CB -0.445 68.499 68.868 0.125 0.000 0.871 149 T HN 0.238 nan 8.240 nan 0.000 0.479 150 F N 2.474 122.454 119.950 0.049 0.000 2.095 150 F HA -0.187 4.345 4.527 0.009 0.000 0.298 150 F C 2.395 178.280 175.800 0.142 0.000 1.104 150 F CA 1.332 59.410 58.000 0.130 0.000 1.232 150 F CB -0.311 38.791 39.000 0.171 0.000 0.987 150 F HN 0.019 nan 8.300 nan 0.000 0.475 151 Q N 0.354 120.413 119.800 0.433 0.000 2.050 151 Q HA -0.141 4.206 4.340 0.011 0.000 0.202 151 Q C 2.585 178.673 176.000 0.146 0.000 0.980 151 Q CA 1.832 57.817 55.803 0.303 0.000 0.840 151 Q CB -1.412 27.451 28.738 0.208 0.000 0.898 151 Q HN 0.412 nan 8.270 nan 0.000 0.424 152 V N 0.293 120.276 119.914 0.114 0.000 2.380 152 V HA -0.268 3.858 4.120 0.011 0.000 0.251 152 V C 2.056 178.168 176.094 0.030 0.000 1.063 152 V CA 1.804 64.150 62.300 0.078 0.000 1.055 152 V CB -0.688 31.198 31.823 0.104 0.000 0.657 152 V HN 0.235 nan 8.190 nan 0.000 0.455 153 Y N -1.107 119.037 120.300 -0.259 0.000 2.243 153 Y HA -0.070 4.485 4.550 0.008 0.000 0.293 153 Y C 2.150 177.708 175.900 -0.570 0.000 1.124 153 Y CA 1.394 59.184 58.100 -0.517 0.000 1.159 153 Y CB -0.035 37.853 38.460 -0.953 0.000 1.008 153 Y HN 0.297 nan 8.280 nan 0.000 0.527 154 Y N -1.634 118.670 120.300 0.007 0.000 2.449 154 Y HA 0.156 4.715 4.550 0.014 0.000 0.254 154 Y C 0.618 176.536 175.900 0.030 0.000 1.140 154 Y CA -0.425 57.648 58.100 -0.045 0.000 1.272 154 Y CB -0.168 38.107 38.460 -0.309 0.000 1.114 154 Y HN -0.084 nan 8.280 nan 0.000 0.525 155 N N 1.257 120.045 118.700 0.148 0.000 2.438 155 N HA 0.147 4.893 4.740 0.011 0.000 0.282 155 N C -2.224 173.323 175.510 0.061 0.000 1.037 155 N CA -2.021 51.101 53.050 0.121 0.000 0.942 155 N CB 2.065 40.624 38.487 0.120 0.000 1.136 155 N HN -0.084 nan 8.380 nan 0.000 0.481 156 P HA -0.103 nan 4.420 nan 0.000 0.215 156 P C 1.387 178.691 177.300 0.007 0.000 1.157 156 P CA 1.393 64.503 63.100 0.016 0.000 0.859 156 P CB 0.117 31.826 31.700 0.016 0.000 0.786 157 S N -0.296 115.412 115.700 0.013 0.000 2.402 157 S HA -0.194 4.283 4.470 0.011 0.000 0.233 157 S C 2.057 176.664 174.600 0.012 0.000 1.030 157 S CA 1.156 59.361 58.200 0.008 0.000 1.003 157 S CB -0.967 62.238 63.200 0.008 0.000 0.813 157 S HN -0.065 nan 8.310 nan 0.000 0.477 158 R N 1.573 122.086 120.500 0.021 0.000 2.323 158 R HA 0.415 4.762 4.340 0.011 0.000 0.198 158 R C 2.053 178.361 176.300 0.013 0.000 0.988 158 R CA 0.642 56.757 56.100 0.026 0.000 1.041 158 R CB -1.112 29.215 30.300 0.046 0.000 0.926 158 R HN 0.538 nan 8.270 nan 0.000 0.476 159 A N 0.456 123.274 122.820 -0.004 0.000 1.941 159 A HA -0.303 4.023 4.320 0.011 0.000 0.220 159 A C 0.779 178.357 177.584 -0.011 0.000 1.407 159 A CA 1.754 53.777 52.037 -0.023 0.000 0.766 159 A CB -0.697 18.285 19.000 -0.030 0.000 0.838 159 A HN 0.424 nan 8.150 nan 0.000 0.482 160 Q N -2.624 117.173 119.800 -0.005 0.000 2.316 160 Q HA 0.506 4.852 4.340 0.011 0.000 0.215 160 Q C 1.170 177.178 176.000 0.013 0.000 1.020 160 Q CA 0.215 56.019 55.803 0.002 0.000 0.970 160 Q CB 0.051 28.788 28.738 -0.001 0.000 1.187 160 Q HN 1.399 nan 8.270 nan 0.000 0.546 161 G N -0.781 108.029 108.800 0.016 0.000 2.353 161 G HA2 -0.341 3.625 3.960 0.011 0.000 0.258 161 G HA3 -0.341 3.625 3.960 0.011 0.000 0.258 161 G C 0.917 175.837 174.900 0.033 0.000 1.013 161 G CA 0.503 45.616 45.100 0.022 0.000 0.622 161 G HN 0.928 nan 8.290 nan 0.000 0.535 162 G N 0.331 109.153 108.800 0.036 0.000 2.572 162 G HA2 0.223 4.190 3.960 0.011 0.000 0.216 162 G HA3 0.223 4.190 3.960 0.011 0.000 0.216 162 G C 1.684 176.626 174.900 0.070 0.000 1.133 162 G CA 1.123 46.256 45.100 0.055 0.000 0.791 162 G HN 0.961 nan 8.290 nan 0.000 0.538 163 I N 1.247 121.850 120.570 0.055 0.000 2.248 163 I HA -0.110 4.066 4.170 0.011 0.000 0.248 163 I C -0.501 175.655 176.117 0.064 0.000 1.107 163 I CA 1.162 62.499 61.300 0.061 0.000 1.373 163 I CB -0.092 37.930 38.000 0.036 0.000 1.055 163 I HN 0.095 nan 8.210 nan 0.000 0.418 164 P HA -0.059 nan 4.420 nan 0.000 0.222 164 P C 1.061 178.402 177.300 0.068 0.000 1.153 164 P CA 1.199 64.328 63.100 0.049 0.000 0.798 164 P CB -0.118 31.604 31.700 0.037 0.000 0.796 165 N N 0.002 118.752 118.700 0.084 0.000 2.142 165 N HA -0.125 4.622 4.740 0.011 0.000 0.186 165 N C 1.480 177.080 175.510 0.149 0.000 1.023 165 N CA 1.323 54.436 53.050 0.105 0.000 0.852 165 N CB -0.238 38.311 38.487 0.104 0.000 0.998 165 N HN -0.065 nan 8.380 nan 0.000 0.424 166 K N -0.162 120.347 120.400 0.182 0.000 2.288 166 K HA -0.095 4.232 4.320 0.011 0.000 0.201 166 K C 1.631 178.353 176.600 0.204 0.000 1.048 166 K CA 0.867 57.335 56.287 0.301 0.000 0.956 166 K CB 0.032 32.741 32.500 0.348 0.000 0.746 166 K HN 0.391 nan 8.250 nan 0.000 0.461 167 E N 1.241 121.501 120.200 0.100 0.000 2.230 167 E HA -0.115 4.242 4.350 0.011 0.000 0.192 167 E C 2.082 178.694 176.600 0.020 0.000 0.987 167 E CA 0.314 56.728 56.400 0.024 0.000 0.841 167 E CB 0.247 29.959 29.700 0.019 0.000 0.783 167 E HN 0.134 nan 8.360 nan 0.000 0.481 168 R N -0.116 120.418 120.500 0.057 0.000 2.073 168 R HA -0.086 4.261 4.340 0.011 0.000 0.229 168 R C 2.190 178.525 176.300 0.057 0.000 1.120 168 R CA 1.530 57.663 56.100 0.055 0.000 0.967 168 R CB -0.486 29.856 30.300 0.070 0.000 0.862 168 R HN 0.270 nan 8.270 nan 0.000 0.436 169 C N 0.682 120.042 119.300 0.101 0.000 2.413 169 C HA -0.102 4.364 4.460 0.011 0.000 0.277 169 C C 2.953 177.921 174.990 -0.036 0.000 1.228 169 C CA 1.043 60.124 59.018 0.106 0.000 1.731 169 C CB -1.139 26.773 27.740 0.287 0.000 2.042 169 C HN 0.728 nan 8.230 nan 0.000 0.468 170 A N 0.416 123.156 122.820 -0.132 0.000 1.927 170 A HA -0.290 4.036 4.320 0.011 0.000 0.220 170 A C 2.002 179.484 177.584 -0.171 0.000 1.185 170 A CA 2.542 54.392 52.037 -0.313 0.000 0.639 170 A CB -0.648 18.129 19.000 -0.372 0.000 0.820 170 A HN 0.648 nan 8.150 nan 0.000 0.451 171 E N -0.130 120.025 120.200 -0.074 0.000 2.107 171 E HA -0.154 4.203 4.350 0.011 0.000 0.191 171 E C 2.085 178.675 176.600 -0.017 0.000 0.982 171 E CA 1.660 58.055 56.400 -0.009 0.000 0.809 171 E CB -0.394 29.329 29.700 0.038 0.000 0.756 171 E HN 0.726 nan 8.360 nan 0.000 0.459 172 Q N -0.179 119.613 119.800 -0.012 0.000 2.079 172 Q HA -0.060 4.287 4.340 0.011 0.000 0.200 172 Q C 2.296 178.242 176.000 -0.091 0.000 0.974 172 Q CA 1.553 57.367 55.803 0.019 0.000 0.840 172 Q CB -0.130 28.659 28.738 0.085 0.000 0.898 172 Q HN 0.397 nan 8.270 nan 0.000 0.430 173 I N 0.493 120.954 120.570 -0.182 0.000 2.361 173 I HA -0.270 3.906 4.170 0.011 0.000 0.251 173 I C 2.288 178.212 176.117 -0.323 0.000 1.133 173 I CA 0.938 62.059 61.300 -0.298 0.000 1.413 173 I CB -0.360 37.445 38.000 -0.324 0.000 1.073 173 I HN 0.159 nan 8.210 nan 0.000 0.424 174 A N 0.829 123.490 122.820 -0.265 0.000 1.968 174 A HA -0.168 4.159 4.320 0.011 0.000 0.217 174 A C 2.455 179.720 177.584 -0.532 0.000 1.169 174 A CA 1.896 53.724 52.037 -0.348 0.000 0.638 174 A CB -0.982 17.864 19.000 -0.255 0.000 0.812 174 A HN 0.515 nan 8.150 nan 0.000 0.446 175 T N -1.721 112.622 114.554 -0.351 0.000 2.788 175 T HA -0.124 4.233 4.350 0.011 0.000 0.268 175 T C 1.835 176.420 174.700 -0.192 0.000 1.044 175 T CA 1.367 63.334 62.100 -0.222 0.000 1.139 175 T CB -0.408 68.511 68.868 0.086 0.000 0.867 175 T HN 0.212 nan 8.240 nan 0.000 0.454 176 L N 0.654 121.618 121.223 -0.431 0.000 2.056 176 L HA 0.026 4.372 4.340 0.011 0.000 0.207 176 L C 2.513 179.054 176.870 -0.548 0.000 1.078 176 L CA 1.650 55.940 54.840 -0.916 0.000 0.749 176 L CB -1.509 39.613 42.059 -1.562 0.000 0.901 176 L HN 0.466 nan 8.230 nan 0.000 0.433 177 C N 0.310 119.357 119.300 -0.422 0.000 2.462 177 C HA -0.044 4.422 4.460 0.011 0.000 0.278 177 C C 3.094 177.962 174.990 -0.203 0.000 1.253 177 C CA 0.769 59.628 59.018 -0.265 0.000 1.713 177 C CB -1.254 26.366 27.740 -0.201 0.000 2.049 177 C HN 0.703 nan 8.230 nan 0.000 0.477 178 A N 0.496 123.145 122.820 -0.285 0.000 1.917 178 A HA -0.249 4.078 4.320 0.011 0.000 0.219 178 A C 2.142 179.678 177.584 -0.080 0.000 1.182 178 A CA 2.717 54.629 52.037 -0.208 0.000 0.633 178 A CB -1.236 17.492 19.000 -0.452 0.000 0.819 178 A HN 0.600 nan 8.150 nan 0.000 0.448 179 T N 0.100 114.605 114.554 -0.081 0.000 2.833 179 T HA -0.031 4.326 4.350 0.011 0.000 0.269 179 T C 1.381 176.078 174.700 -0.005 0.000 1.054 179 T CA 1.367 63.473 62.100 0.010 0.000 1.135 179 T CB -0.272 68.664 68.868 0.115 0.000 0.869 179 T HN 0.397 nan 8.240 nan 0.000 0.466 180 L N 0.274 121.463 121.223 -0.057 0.000 2.628 180 L HA 0.326 4.672 4.340 0.011 0.000 0.229 180 L C 1.602 178.461 176.870 -0.019 0.000 1.137 180 L CA -0.093 54.726 54.840 -0.035 0.000 0.909 180 L CB -0.360 41.663 42.059 -0.061 0.000 1.137 180 L HN 0.377 nan 8.230 nan 0.000 0.470 181 G N 0.839 109.631 108.800 -0.014 0.000 2.273 181 G HA2 -0.230 3.737 3.960 0.011 0.000 0.280 181 G HA3 -0.230 3.737 3.960 0.011 0.000 0.280 181 G C -0.026 174.882 174.900 0.013 0.000 1.047 181 G CA 0.067 45.170 45.100 0.006 0.000 0.869 181 G HN 0.338 nan 8.290 nan 0.000 0.502 182 E N -1.035 119.168 120.200 0.006 0.000 2.171 182 E HA 0.471 4.828 4.350 0.011 0.000 0.271 182 E C -0.964 175.694 176.600 0.098 0.000 0.916 182 E CA -0.908 55.507 56.400 0.025 0.000 0.774 182 E CB 1.645 31.332 29.700 -0.022 0.000 1.128 182 E HN 0.283 nan 8.360 nan 0.000 0.403 183 Y N 4.470 124.752 120.300 -0.030 0.000 2.495 183 Y HA 0.232 4.788 4.550 0.010 0.000 0.362 183 Y C -2.292 173.610 175.900 0.003 0.000 0.956 183 Y CA -2.474 55.617 58.100 -0.015 0.000 1.127 183 Y CB 0.324 38.783 38.460 -0.001 0.000 1.173 183 Y HN 0.321 nan 8.280 nan 0.000 0.639 184 P HA 0.080 nan 4.420 nan 0.000 0.271 184 P C -0.504 176.695 177.300 -0.168 0.000 1.238 184 P CA 0.109 63.146 63.100 -0.104 0.000 0.794 184 P CB 1.072 32.751 31.700 -0.034 0.000 0.959 185 S N -0.249 115.446 115.700 -0.008 0.000 2.499 185 S HA 0.295 4.772 4.470 0.011 0.000 0.279 185 S C 0.174 174.860 174.600 0.143 0.000 1.219 185 S CA -0.789 57.465 58.200 0.090 0.000 1.062 185 S CB 0.754 64.116 63.200 0.269 0.000 0.978 185 S HN 0.231 nan 8.310 nan 0.000 0.489 186 V N 4.604 124.594 119.914 0.128 0.000 2.498 186 V HA 0.409 4.536 4.120 0.011 0.000 0.279 186 V C 0.457 176.625 176.094 0.123 0.000 1.048 186 V CA -0.304 62.063 62.300 0.112 0.000 0.967 186 V CB 0.395 32.269 31.823 0.084 0.000 0.988 186 V HN 0.765 nan 8.190 nan 0.000 0.473 187 R N 3.590 124.101 120.500 0.019 0.000 2.795 187 R HA 0.740 5.087 4.340 0.011 0.000 0.275 187 R C -1.521 174.839 176.300 0.100 0.000 0.981 187 R CA -0.749 55.269 56.100 -0.137 0.000 0.917 187 R CB 2.571 32.616 30.300 -0.426 0.000 1.202 187 R HN 0.806 nan 8.270 nan 0.000 0.469 188 Y N -2.035 118.280 120.300 0.025 0.000 2.655 188 Y HA 0.497 5.055 4.550 0.014 0.000 0.336 188 Y C -0.998 174.970 175.900 0.115 0.000 1.154 188 Y CA -1.489 56.675 58.100 0.108 0.000 1.055 188 Y CB 1.277 39.818 38.460 0.135 0.000 1.295 188 Y HN 0.402 nan 8.280 nan 0.000 0.465 189 R N 1.659 122.320 120.500 0.268 0.000 2.235 189 R HA 0.318 4.665 4.340 0.011 0.000 0.338 189 R C 0.223 176.625 176.300 0.170 0.000 1.087 189 R CA 0.277 56.405 56.100 0.047 0.000 0.948 189 R CB 0.516 30.908 30.300 0.154 0.000 1.099 189 R HN 0.983 nan 8.270 nan 0.000 0.483 190 S N 2.556 118.236 115.700 -0.032 0.000 2.399 190 S HA -0.242 4.234 4.470 0.011 0.000 0.235 190 S C 1.249 175.962 174.600 0.188 0.000 1.063 190 S CA 1.783 60.061 58.200 0.131 0.000 1.070 190 S CB -0.188 62.991 63.200 -0.036 0.000 0.904 190 S HN 0.752 nan 8.310 nan 0.000 0.456 191 D N -0.730 119.761 120.400 0.151 0.000 2.389 191 D HA -0.102 4.545 4.640 0.011 0.000 0.221 191 D C -0.261 176.198 176.300 0.266 0.000 0.974 191 D CA 0.555 54.661 54.000 0.178 0.000 0.923 191 D CB 0.030 40.918 40.800 0.147 0.000 0.892 191 D HN 0.346 nan 8.370 nan 0.000 0.518 192 F N 1.166 121.199 119.950 0.140 0.000 2.550 192 F HA 0.167 4.699 4.527 0.009 0.000 0.348 192 F C 0.367 176.233 175.800 0.109 0.000 1.219 192 F CA -1.037 57.044 58.000 0.134 0.000 1.203 192 F CB 0.413 39.528 39.000 0.192 0.000 1.436 192 F HN -0.286 nan 8.300 nan 0.000 0.541 193 D N 0.304 120.636 120.400 -0.113 0.000 3.248 193 D HA -0.359 4.288 4.640 0.011 0.000 0.190 193 D C 1.788 177.999 176.300 -0.149 0.000 1.167 193 D CA 1.937 55.863 54.000 -0.123 0.000 0.914 193 D CB -0.047 40.642 40.800 -0.185 0.000 0.880 193 D HN 0.482 nan 8.370 nan 0.000 0.498 194 E N 0.299 120.315 120.200 -0.307 0.000 2.204 194 E HA -0.141 4.215 4.350 0.011 0.000 0.195 194 E C 1.422 178.068 176.600 0.077 0.000 0.990 194 E CA 0.782 57.049 56.400 -0.222 0.000 0.821 194 E CB -0.215 29.151 29.700 -0.558 0.000 0.750 194 E HN 0.265 nan 8.360 nan 0.000 0.477 195 N N 0.686 119.545 118.700 0.265 0.000 2.043 195 N HA -0.206 4.541 4.740 0.011 0.000 0.193 195 N C 1.695 177.207 175.510 0.002 0.000 1.037 195 N CA 1.745 54.989 53.050 0.323 0.000 0.851 195 N CB -0.852 37.889 38.487 0.423 0.000 1.027 195 N HN 0.293 nan 8.380 nan 0.000 0.422 196 A N 1.080 123.678 122.820 -0.371 0.000 1.881 196 A HA -0.238 4.088 4.320 0.011 0.000 0.219 196 A C 2.543 179.954 177.584 -0.287 0.000 1.215 196 A CA 2.609 54.204 52.037 -0.736 0.000 0.648 196 A CB -1.150 17.543 19.000 -0.511 0.000 0.832 196 A HN 0.358 nan 8.150 nan 0.000 0.455 197 S N -1.386 114.246 115.700 -0.112 0.000 2.374 197 S HA -0.195 4.281 4.470 0.011 0.000 0.227 197 S C 1.699 176.318 174.600 0.032 0.000 1.037 197 S CA 1.674 59.855 58.200 -0.031 0.000 1.024 197 S CB -0.573 62.627 63.200 0.000 0.000 0.861 197 S HN 0.597 nan 8.310 nan 0.000 0.456 198 F N 2.172 122.118 119.950 -0.007 0.000 2.186 198 F HA -0.028 4.503 4.527 0.007 0.000 0.299 198 F C 2.352 178.156 175.800 0.007 0.000 1.090 198 F CA 0.862 58.895 58.000 0.054 0.000 1.307 198 F CB -0.493 38.617 39.000 0.184 0.000 1.019 198 F HN 0.181 nan 8.300 nan 0.000 0.489 199 A N -0.245 122.601 122.820 0.044 0.000 1.933 199 A HA -0.270 4.056 4.320 0.011 0.000 0.218 199 A C 2.041 179.563 177.584 -0.104 0.000 1.175 199 A CA 1.854 53.879 52.037 -0.020 0.000 0.628 199 A CB -0.924 18.047 19.000 -0.048 0.000 0.814 199 A HN 0.504 nan 8.150 nan 0.000 0.444 200 Q N -0.417 119.313 119.800 -0.117 0.000 2.050 200 Q HA -0.112 4.235 4.340 0.011 0.000 0.202 200 Q C 1.944 177.870 176.000 -0.122 0.000 0.980 200 Q CA 1.355 57.104 55.803 -0.090 0.000 0.840 200 Q CB -0.383 28.312 28.738 -0.072 0.000 0.898 200 Q HN 0.482 nan 8.270 nan 0.000 0.424 201 L N -0.283 120.827 121.223 -0.188 0.000 1.978 201 L HA -0.229 4.118 4.340 0.011 0.000 0.218 201 L C 2.371 179.090 176.870 -0.250 0.000 1.075 201 L CA 1.776 56.480 54.840 -0.228 0.000 0.767 201 L CB -1.440 40.415 42.059 -0.341 0.000 0.890 201 L HN 0.218 nan 8.230 nan 0.000 0.434 202 V N -0.285 119.395 119.914 -0.389 0.000 2.278 202 V HA -0.360 3.767 4.120 0.011 0.000 0.251 202 V C 2.597 178.606 176.094 -0.142 0.000 1.062 202 V CA 2.086 64.207 62.300 -0.299 0.000 1.038 202 V CB -0.648 30.985 31.823 -0.317 0.000 0.646 202 V HN 0.491 nan 8.190 nan 0.000 0.447 203 Q N 0.119 119.856 119.800 -0.105 0.000 2.045 203 Q HA -0.266 4.081 4.340 0.011 0.000 0.206 203 Q C 2.207 178.212 176.000 0.008 0.000 0.991 203 Q CA 2.313 58.092 55.803 -0.041 0.000 0.851 203 Q CB -0.425 28.301 28.738 -0.021 0.000 0.911 203 Q HN 0.736 nan 8.270 nan 0.000 0.418 204 Q N -0.270 119.524 119.800 -0.009 0.000 1.956 204 Q HA -0.226 4.121 4.340 0.011 0.000 0.208 204 Q C 2.124 178.152 176.000 0.048 0.000 0.998 204 Q CA 1.854 57.667 55.803 0.017 0.000 0.855 204 Q CB -0.231 28.500 28.738 -0.011 0.000 0.928 204 Q HN 0.120 nan 8.270 nan 0.000 0.418 205 K N 0.555 120.969 120.400 0.023 0.000 2.163 205 K HA -0.202 4.125 4.320 0.011 0.000 0.210 205 K C 1.866 178.579 176.600 0.190 0.000 1.048 205 K CA 1.456 57.789 56.287 0.077 0.000 0.928 205 K CB -0.469 32.041 32.500 0.016 0.000 0.716 205 K HN 0.147 nan 8.250 nan 0.000 0.459 206 L N 0.274 121.588 121.223 0.152 0.000 2.179 206 L HA -0.103 4.244 4.340 0.011 0.000 0.208 206 L C 1.768 178.862 176.870 0.373 0.000 1.096 206 L CA 1.158 56.155 54.840 0.262 0.000 0.779 206 L CB -0.386 41.802 42.059 0.215 0.000 0.922 206 L HN 0.067 nan 8.230 nan 0.000 0.443 207 D N 0.601 121.174 120.400 0.288 0.000 2.104 207 D HA -0.215 4.432 4.640 0.011 0.000 0.194 207 D C 2.311 178.665 176.300 0.089 0.000 0.994 207 D CA 1.670 55.793 54.000 0.206 0.000 0.830 207 D CB -0.151 40.734 40.800 0.142 0.000 0.959 207 D HN 0.319 nan 8.370 nan 0.000 0.452 208 A N 0.242 123.113 122.820 0.084 0.000 1.892 208 A HA -0.254 4.073 4.320 0.011 0.000 0.218 208 A C 2.154 179.698 177.584 -0.067 0.000 1.188 208 A CA 1.491 53.519 52.037 -0.015 0.000 0.631 208 A CB -1.198 17.775 19.000 -0.045 0.000 0.822 208 A HN 0.282 nan 8.150 nan 0.000 0.447 209 Y N -0.915 119.372 120.300 -0.022 0.000 2.242 209 Y HA -0.140 4.416 4.550 0.009 0.000 0.291 209 Y C 2.619 178.455 175.900 -0.106 0.000 1.137 209 Y CA 1.832 59.909 58.100 -0.039 0.000 1.181 209 Y CB -0.213 38.245 38.460 -0.004 0.000 0.989 209 Y HN 0.315 nan 8.280 nan 0.000 0.527 210 R N 0.859 121.333 120.500 -0.043 0.000 2.092 210 R HA -0.065 4.282 4.340 0.011 0.000 0.231 210 R C 2.111 178.288 176.300 -0.205 0.000 1.119 210 R CA 1.464 57.367 56.100 -0.327 0.000 0.970 210 R CB -0.858 28.869 30.300 -0.956 0.000 0.864 210 R HN 0.226 nan 8.270 nan 0.000 0.440 211 A N -0.310 122.432 122.820 -0.131 0.000 2.014 211 A HA -0.057 4.270 4.320 0.011 0.000 0.218 211 A C 1.418 178.950 177.584 -0.087 0.000 1.163 211 A CA 1.459 53.438 52.037 -0.096 0.000 0.652 211 A CB -0.247 18.712 19.000 -0.067 0.000 0.808 211 A HN 0.377 nan 8.150 nan 0.000 0.449 212 D N -0.086 120.256 120.400 -0.096 0.000 2.587 212 D HA 0.190 4.837 4.640 0.011 0.000 0.233 212 D C -1.069 175.190 176.300 -0.069 0.000 1.213 212 D CA 0.230 54.172 54.000 -0.097 0.000 0.827 212 D CB -0.025 40.680 40.800 -0.158 0.000 1.006 212 D HN 0.348 nan 8.370 nan 0.000 0.490 213 D N -1.089 119.274 120.400 -0.061 0.000 3.169 213 D HA -0.016 4.631 4.640 0.011 0.000 0.120 213 D C -2.431 173.829 176.300 -0.067 0.000 0.897 213 D CA -0.518 53.456 54.000 -0.042 0.000 1.845 213 D CB 0.154 40.951 40.800 -0.005 0.000 1.457 213 D HN -0.106 nan 8.370 nan 0.000 0.873 214 P HA -0.101 nan 4.420 nan 0.000 0.219 214 P C 1.317 178.576 177.300 -0.068 0.000 1.146 214 P CA 1.815 64.867 63.100 -0.081 0.000 0.808 214 P CB 0.116 31.782 31.700 -0.056 0.000 0.779 215 T N -4.972 109.557 114.554 -0.041 0.000 3.160 215 T HA 0.038 4.395 4.350 0.011 0.000 0.257 215 T C 0.743 175.431 174.700 -0.019 0.000 1.147 215 T CA -0.074 62.011 62.100 -0.025 0.000 1.064 215 T CB -0.961 67.900 68.868 -0.011 0.000 0.949 215 T HN 0.017 nan 8.240 nan 0.000 0.526 216 M N 2.176 121.753 119.600 -0.037 0.000 2.303 216 M HA 0.375 4.862 4.480 0.011 0.000 0.350 216 M C 1.110 177.423 176.300 0.022 0.000 1.518 216 M CA 1.268 56.560 55.300 -0.012 0.000 1.070 216 M CB -0.370 32.205 32.600 -0.041 0.000 1.910 216 M HN 0.555 nan 8.290 nan 0.000 0.458 217 G N 3.422 112.255 108.800 0.056 0.000 2.182 217 G HA2 -0.253 3.714 3.960 0.011 0.000 0.248 217 G HA3 -0.253 3.714 3.960 0.011 0.000 0.248 217 G C -0.275 174.649 174.900 0.039 0.000 1.042 217 G CA 0.338 45.485 45.100 0.078 0.000 0.775 217 G HN 0.814 nan 8.290 nan 0.000 0.501 218 E N 0.229 120.438 120.200 0.014 0.000 2.415 218 E HA 0.463 4.819 4.350 0.011 0.000 0.263 218 E C 1.888 178.485 176.600 -0.006 0.000 0.995 218 E CA 1.467 57.868 56.400 0.002 0.000 0.915 218 E CB 0.008 29.706 29.700 -0.003 0.000 0.951 218 E HN 1.245 nan 8.360 nan 0.000 0.449 219 G N 5.834 114.630 108.800 -0.008 0.000 3.234 219 G HA2 -0.364 3.602 3.960 0.011 0.000 0.328 219 G HA3 -0.364 3.602 3.960 0.011 0.000 0.328 219 G C -1.167 173.715 174.900 -0.030 0.000 1.548 219 G CA 0.582 45.672 45.100 -0.017 0.000 1.655 219 G HN 0.759 nan 8.290 nan 0.000 1.022 220 P HA 0.018 nan 4.420 nan 0.000 0.037 220 P C 0.310 177.563 177.300 -0.077 0.000 0.634 220 P CA 1.520 64.591 63.100 -0.048 0.000 1.000 220 P CB -1.231 30.447 31.700 -0.038 0.000 1.802 221 Q N -2.126 117.621 119.800 -0.087 0.000 2.450 221 Q HA -0.271 4.076 4.340 0.011 0.000 0.255 221 Q C 0.710 176.617 176.000 -0.155 0.000 1.003 221 Q CA 1.225 56.946 55.803 -0.136 0.000 1.097 221 Q CB -1.721 26.903 28.738 -0.190 0.000 1.544 221 Q HN 0.481 nan 8.270 nan 0.000 0.531 222 K N 0.630 120.974 120.400 -0.093 0.000 2.458 222 K HA -0.026 4.300 4.320 0.011 0.000 0.194 222 K C 0.689 177.267 176.600 -0.037 0.000 1.024 222 K CA 0.823 57.069 56.287 -0.070 0.000 1.108 222 K CB 0.268 32.750 32.500 -0.030 0.000 0.846 222 K HN 0.470 nan 8.250 nan 0.000 0.518 223 D N -0.397 119.976 120.400 -0.045 0.000 2.349 223 D HA -0.023 4.624 4.640 0.011 0.000 0.214 223 D C 1.108 177.390 176.300 -0.029 0.000 1.063 223 D CA -0.021 53.969 54.000 -0.017 0.000 0.847 223 D CB 0.374 41.167 40.800 -0.012 0.000 0.933 223 D HN 0.084 nan 8.370 nan 0.000 0.513 224 R N 0.105 120.562 120.500 -0.072 0.000 2.419 224 R HA 0.179 4.526 4.340 0.011 0.000 0.235 224 R C 0.523 176.811 176.300 -0.021 0.000 0.899 224 R CA -0.194 55.873 56.100 -0.055 0.000 1.048 224 R CB 0.772 30.981 30.300 -0.151 0.000 1.182 224 R HN -0.096 nan 8.270 nan 0.000 0.544 225 S N 1.911 117.566 115.700 -0.076 0.000 2.558 225 S HA 0.004 4.481 4.470 0.011 0.000 0.287 225 S C -0.074 174.607 174.600 0.136 0.000 1.321 225 S CA 0.420 58.622 58.200 0.004 0.000 1.048 225 S CB 0.501 63.688 63.200 -0.022 0.000 0.844 225 S HN 0.149 nan 8.310 nan 0.000 0.512 226 Q N 0.801 120.727 119.800 0.210 0.000 2.331 226 Q HA 0.505 4.852 4.340 0.011 0.000 0.272 226 Q C -1.341 174.720 176.000 0.102 0.000 1.062 226 Q CA -0.508 55.398 55.803 0.173 0.000 0.806 226 Q CB 2.379 31.241 28.738 0.205 0.000 1.312 226 Q HN 0.584 nan 8.270 nan 0.000 0.431 227 L N 3.830 125.091 121.223 0.063 0.000 2.313 227 L HA 0.419 4.765 4.340 0.011 0.000 0.273 227 L C -1.383 175.516 176.870 0.049 0.000 1.028 227 L CA -0.627 54.247 54.840 0.057 0.000 0.871 227 L CB 0.574 42.657 42.059 0.039 0.000 1.242 227 L HN 0.510 nan 8.230 nan 0.000 0.434 228 L N 6.410 127.643 121.223 0.017 0.000 2.265 228 L HA 0.464 4.810 4.340 0.011 0.000 0.288 228 L C -0.575 176.326 176.870 0.052 0.000 1.058 228 L CA -0.215 54.617 54.840 -0.014 0.000 0.809 228 L CB 1.334 43.310 42.059 -0.137 0.000 1.179 228 L HN 0.619 nan 8.230 nan 0.000 0.429 229 I N 6.131 126.789 120.570 0.147 0.000 2.331 229 I HA 0.313 4.489 4.170 0.011 0.000 0.292 229 I C -0.177 176.024 176.117 0.141 0.000 0.998 229 I CA -0.370 61.063 61.300 0.223 0.000 1.267 229 I CB 1.478 39.706 38.000 0.381 0.000 1.386 229 I HN 0.511 nan 8.210 nan 0.000 0.476 230 L N 5.613 126.836 121.223 0.001 0.000 2.323 230 L HA 0.527 4.874 4.340 0.011 0.000 0.265 230 L C -0.817 175.995 176.870 -0.095 0.000 1.012 230 L CA -1.011 53.765 54.840 -0.106 0.000 0.820 230 L CB 2.087 43.864 42.059 -0.470 0.000 1.334 230 L HN 0.569 nan 8.230 nan 0.000 0.427 231 D N 0.509 120.901 120.400 -0.014 0.000 2.198 231 D HA 0.175 4.822 4.640 0.011 0.000 0.247 231 D C 0.553 176.869 176.300 0.028 0.000 1.010 231 D CA -0.729 53.219 54.000 -0.087 0.000 0.880 231 D CB 2.154 42.800 40.800 -0.256 0.000 1.209 231 D HN 0.260 nan 8.370 nan 0.000 0.451 232 R N 2.144 122.640 120.500 -0.007 0.000 2.139 232 R HA -0.087 4.259 4.340 0.011 0.000 0.243 232 R C 1.861 178.075 176.300 -0.143 0.000 1.145 232 R CA 1.743 57.830 56.100 -0.021 0.000 0.976 232 R CB -1.307 28.960 30.300 -0.055 0.000 0.866 232 R HN 0.703 nan 8.270 nan 0.000 0.449 233 G N -0.175 108.475 108.800 -0.250 0.000 2.708 233 G HA2 -0.182 3.785 3.960 0.011 0.000 0.210 233 G HA3 -0.182 3.785 3.960 0.011 0.000 0.210 233 G C 1.076 175.904 174.900 -0.119 0.000 1.141 233 G CA 0.390 45.329 45.100 -0.268 0.000 0.788 233 G HN 0.526 nan 8.290 nan 0.000 0.531 234 F N 0.207 120.106 119.950 -0.085 0.000 2.502 234 F HA 0.235 4.768 4.527 0.011 0.000 0.298 234 F C 0.052 175.940 175.800 0.147 0.000 1.111 234 F CA 0.293 58.356 58.000 0.106 0.000 1.445 234 F CB 0.469 39.559 39.000 0.150 0.000 1.081 234 F HN 0.082 nan 8.300 nan 0.000 0.558 235 D N 0.957 120.702 120.400 -1.092 0.000 2.474 235 D HA 0.167 4.813 4.640 0.011 0.000 0.234 235 D C -2.426 173.350 176.300 -0.873 0.000 1.323 235 D CA -1.585 51.748 54.000 -1.112 0.000 0.915 235 D CB 1.148 41.259 40.800 -1.148 0.000 1.487 235 D HN -0.056 nan 8.370 nan 0.000 0.524 236 P HA 0.093 nan 4.420 nan 0.000 0.241 236 P C 1.602 178.582 177.300 -0.533 0.000 1.191 236 P CA 0.077 62.802 63.100 -0.624 0.000 0.771 236 P CB 0.854 32.218 31.700 -0.559 0.000 0.929 237 I N -0.102 120.096 120.570 -0.620 0.000 2.188 237 I HA -0.175 4.002 4.170 0.011 0.000 0.237 237 I C 2.440 178.229 176.117 -0.546 0.000 1.073 237 I CA 1.089 62.024 61.300 -0.608 0.000 1.359 237 I CB -1.136 36.338 38.000 -0.876 0.000 1.083 237 I HN -0.086 nan 8.210 nan 0.000 0.412 238 S N 1.643 117.118 115.700 -0.375 0.000 2.393 238 S HA -0.156 4.321 4.470 0.011 0.000 0.235 238 S C -0.604 173.899 174.600 -0.162 0.000 1.061 238 S CA 2.111 60.234 58.200 -0.129 0.000 1.129 238 S CB -1.724 61.560 63.200 0.139 0.000 1.011 238 S HN 0.415 nan 8.310 nan 0.000 0.436 239 P HA 0.068 nan 4.420 nan 0.000 0.239 239 P C 0.740 177.930 177.300 -0.183 0.000 1.184 239 P CA 0.753 63.753 63.100 -0.166 0.000 0.760 239 P CB -0.084 31.511 31.700 -0.175 0.000 0.884 240 L N -1.662 119.426 121.223 -0.224 0.000 2.500 240 L HA 0.131 4.478 4.340 0.011 0.000 0.219 240 L C 0.949 177.692 176.870 -0.212 0.000 1.057 240 L CA -0.161 54.549 54.840 -0.217 0.000 0.854 240 L CB -0.210 41.715 42.059 -0.224 0.000 1.078 240 L HN -0.102 nan 8.230 nan 0.000 0.480 241 L N 0.848 121.938 121.223 -0.221 0.000 2.485 241 L HA -0.024 4.323 4.340 0.011 0.000 0.275 241 L C 0.578 177.391 176.870 -0.094 0.000 1.207 241 L CA 0.638 55.385 54.840 -0.154 0.000 0.855 241 L CB -0.393 41.548 42.059 -0.196 0.000 1.114 241 L HN 0.123 nan 8.230 nan 0.000 0.485 242 H N 2.588 121.632 119.070 -0.043 0.000 3.067 242 H HA 0.077 4.640 4.556 0.012 0.000 0.265 242 H C 0.030 175.372 175.328 0.023 0.000 1.234 242 H CA -0.238 55.807 56.048 -0.004 0.000 1.452 242 H CB 0.481 30.233 29.762 -0.017 0.000 1.527 242 H HN 0.502 nan 8.280 nan 0.000 0.486 243 E N 1.972 122.235 120.200 0.104 0.000 2.349 243 E HA 0.064 4.421 4.350 0.011 0.000 0.265 243 E C 0.036 176.670 176.600 0.058 0.000 1.064 243 E CA -0.429 56.025 56.400 0.091 0.000 0.886 243 E CB 0.746 30.500 29.700 0.091 0.000 1.036 243 E HN 0.357 nan 8.360 nan 0.000 0.413 244 L N 2.409 123.610 121.223 -0.037 0.000 2.857 244 L HA 0.174 4.521 4.340 0.011 0.000 0.249 244 L C 0.318 176.945 176.870 -0.404 0.000 1.172 244 L CA 0.237 54.940 54.840 -0.229 0.000 0.980 244 L CB -0.681 41.154 42.059 -0.374 0.000 1.299 244 L HN 0.612 nan 8.230 nan 0.000 0.535 245 T N -4.417 110.030 114.554 -0.179 0.000 2.910 245 T HA 0.186 4.543 4.350 0.011 0.000 0.293 245 T C 1.455 176.170 174.700 0.025 0.000 1.015 245 T CA -0.391 61.647 62.100 -0.103 0.000 1.094 245 T CB 0.882 69.758 68.868 0.015 0.000 0.968 245 T HN 0.110 nan 8.240 nan 0.000 0.521 246 F N 1.216 121.065 119.950 -0.168 0.000 2.088 246 F HA -0.349 4.185 4.527 0.012 0.000 0.296 246 F C 2.907 178.669 175.800 -0.064 0.000 1.161 246 F CA 2.209 60.123 58.000 -0.144 0.000 1.236 246 F CB -0.182 38.678 39.000 -0.234 0.000 0.936 246 F HN 0.842 nan 8.300 nan 0.000 0.528 247 Q N 0.262 119.981 119.800 -0.135 0.000 1.985 247 Q HA -0.298 4.049 4.340 0.011 0.000 0.207 247 Q C 2.189 178.069 176.000 -0.200 0.000 0.996 247 Q CA 2.000 57.708 55.803 -0.158 0.000 0.851 247 Q CB -0.528 28.045 28.738 -0.276 0.000 0.921 247 Q HN 0.539 nan 8.270 nan 0.000 0.418 248 A N 0.822 123.576 122.820 -0.111 0.000 1.948 248 A HA -0.248 4.079 4.320 0.011 0.000 0.220 248 A C 2.067 179.682 177.584 0.053 0.000 1.177 248 A CA 1.945 53.992 52.037 0.017 0.000 0.636 248 A CB -0.739 18.352 19.000 0.151 0.000 0.815 248 A HN 0.693 nan 8.150 nan 0.000 0.449 249 M N -1.075 118.556 119.600 0.052 0.000 2.334 249 M HA 0.050 4.536 4.480 0.011 0.000 0.266 249 M C 2.215 178.563 176.300 0.080 0.000 1.082 249 M CA 1.264 56.615 55.300 0.086 0.000 1.141 249 M CB -0.176 32.475 32.600 0.085 0.000 1.380 249 M HN 0.412 nan 8.290 nan 0.000 0.440 250 A N -0.232 122.603 122.820 0.025 0.000 1.873 250 A HA -0.177 4.150 4.320 0.011 0.000 0.215 250 A C 1.654 179.217 177.584 -0.036 0.000 1.186 250 A CA 1.290 53.292 52.037 -0.058 0.000 0.616 250 A CB -1.191 17.657 19.000 -0.254 0.000 0.823 250 A HN 0.611 nan 8.150 nan 0.000 0.442 251 Y N 0.043 120.238 120.300 -0.174 0.000 2.333 251 Y HA -0.151 4.406 4.550 0.011 0.000 0.290 251 Y C 2.256 178.162 175.900 0.009 0.000 1.144 251 Y CA 1.395 59.434 58.100 -0.101 0.000 1.228 251 Y CB -0.320 38.025 38.460 -0.191 0.000 0.985 251 Y HN 0.460 nan 8.280 nan 0.000 0.542 252 D N -0.467 120.028 120.400 0.160 0.000 2.120 252 D HA -0.074 4.573 4.640 0.011 0.000 0.202 252 D C 1.790 178.159 176.300 0.115 0.000 0.972 252 D CA 1.174 55.244 54.000 0.117 0.000 0.837 252 D CB -0.112 40.735 40.800 0.078 0.000 0.989 252 D HN 0.268 nan 8.370 nan 0.000 0.469 253 L N -0.382 120.920 121.223 0.131 0.000 2.477 253 L HA 0.217 4.564 4.340 0.011 0.000 0.220 253 L C 0.563 177.504 176.870 0.118 0.000 1.106 253 L CA 0.090 55.027 54.840 0.161 0.000 0.851 253 L CB 0.114 42.291 42.059 0.196 0.000 0.994 253 L HN -0.005 nan 8.230 nan 0.000 0.462 254 L N 0.131 121.392 121.223 0.062 0.000 2.313 254 L HA 0.421 4.768 4.340 0.011 0.000 0.268 254 L C -2.182 174.695 176.870 0.011 0.000 1.010 254 L CA -1.728 53.138 54.840 0.043 0.000 0.814 254 L CB 1.307 43.374 42.059 0.014 0.000 1.304 254 L HN -0.233 nan 8.230 nan 0.000 0.441 255 P HA 0.274 nan 4.420 nan 0.000 0.232 255 P C -0.604 176.679 177.300 -0.029 0.000 1.814 255 P CA 0.050 63.155 63.100 0.009 0.000 1.085 255 P CB -0.145 31.572 31.700 0.028 0.000 1.901 256 I N 2.268 122.758 120.570 -0.134 0.000 2.316 256 I HA 0.169 4.345 4.170 0.011 0.000 0.286 256 I C 0.751 176.770 176.117 -0.163 0.000 1.107 256 I CA -0.431 60.730 61.300 -0.233 0.000 1.219 256 I CB 0.398 38.011 38.000 -0.646 0.000 1.455 256 I HN 0.057 nan 8.210 nan 0.000 0.498 257 E N 4.880 125.044 120.200 -0.060 0.000 2.331 257 E HA 0.184 4.541 4.350 0.011 0.000 0.272 257 E C 0.079 176.688 176.600 0.014 0.000 1.036 257 E CA -0.456 55.941 56.400 -0.006 0.000 0.864 257 E CB 0.403 30.105 29.700 0.004 0.000 1.035 257 E HN 0.481 nan 8.360 nan 0.000 0.408 258 N N 2.215 120.949 118.700 0.058 0.000 2.677 258 N HA -0.271 4.475 4.740 0.011 0.000 0.249 258 N C -0.981 174.591 175.510 0.105 0.000 1.073 258 N CA 0.698 53.799 53.050 0.084 0.000 0.737 258 N CB -0.721 37.800 38.487 0.056 0.000 0.999 258 N HN 0.697 nan 8.380 nan 0.000 0.543 259 D N -2.567 117.903 120.400 0.118 0.000 3.068 259 D HA -0.142 4.505 4.640 0.011 0.000 0.218 259 D C -0.534 175.755 176.300 -0.019 0.000 1.145 259 D CA 1.254 55.325 54.000 0.119 0.000 0.896 259 D CB -0.737 40.216 40.800 0.255 0.000 1.105 259 D HN 0.343 nan 8.370 nan 0.000 0.423 260 V N 0.512 120.396 119.914 -0.049 0.000 2.448 260 V HA 0.610 4.736 4.120 0.011 0.000 0.295 260 V C -1.248 174.818 176.094 -0.048 0.000 1.025 260 V CA -0.935 61.330 62.300 -0.059 0.000 0.859 260 V CB 1.537 33.334 31.823 -0.044 0.000 0.988 260 V HN 0.137 nan 8.190 nan 0.000 0.431 261 Y N 7.669 127.846 120.300 -0.206 0.000 2.417 261 Y HA 0.543 5.099 4.550 0.011 0.000 0.336 261 Y C 0.255 176.066 175.900 -0.148 0.000 0.961 261 Y CA -1.266 56.718 58.100 -0.194 0.000 1.215 261 Y CB 1.017 39.333 38.460 -0.240 0.000 1.120 261 Y HN 0.762 nan 8.280 nan 0.000 0.499 262 K N 5.848 126.006 120.400 -0.404 0.000 2.248 262 K HA 0.337 4.664 4.320 0.011 0.000 0.281 262 K C -1.021 175.294 176.600 -0.475 0.000 1.054 262 K CA -0.335 55.728 56.287 -0.373 0.000 0.903 262 K CB 0.776 33.218 32.500 -0.095 0.000 1.077 262 K HN 0.701 nan 8.250 nan 0.000 0.474 276 V N 1.410 121.179 119.914 -0.241 0.000 3.040 276 V HA 0.541 4.668 4.120 0.011 0.000 0.312 276 V C -0.996 175.027 176.094 -0.117 0.000 1.115 276 V CA -1.041 61.161 62.300 -0.162 0.000 0.998 276 V CB 1.888 33.624 31.823 -0.145 0.000 1.042 276 V HN 0.713 nan 8.190 nan 0.000 0.433 277 L N 3.178 124.331 121.223 -0.116 0.000 2.296 277 L HA 0.573 4.920 4.340 0.011 0.000 0.286 277 L C -0.630 176.125 176.870 -0.192 0.000 1.023 277 L CA 0.019 54.792 54.840 -0.113 0.000 0.812 277 L CB 1.116 43.137 42.059 -0.064 0.000 1.223 277 L HN 0.561 nan 8.230 nan 0.000 0.421 278 L N 5.583 126.634 121.223 -0.286 0.000 2.356 278 L HA 0.382 4.728 4.340 0.011 0.000 0.282 278 L C -0.342 176.316 176.870 -0.354 0.000 1.132 278 L CA 0.010 54.480 54.840 -0.616 0.000 0.923 278 L CB -0.090 41.435 42.059 -0.890 0.000 1.278 278 L HN 0.636 nan 8.230 nan 0.000 0.436 279 D N 1.131 121.409 120.400 -0.203 0.000 2.493 279 D HA 0.156 4.803 4.640 0.011 0.000 0.239 279 D C 0.538 176.923 176.300 0.142 0.000 1.049 279 D CA -0.502 53.500 54.000 0.005 0.000 1.008 279 D CB 1.987 42.798 40.800 0.017 0.000 1.398 279 D HN 0.367 nan 8.370 nan 0.000 0.513 280 E N -0.015 120.270 120.200 0.142 0.000 2.418 280 E HA -0.071 4.286 4.350 0.011 0.000 0.197 280 E C 1.084 177.746 176.600 0.104 0.000 1.026 280 E CA 0.544 57.029 56.400 0.142 0.000 0.862 280 E CB 0.350 30.104 29.700 0.090 0.000 0.799 280 E HN 0.273 nan 8.360 nan 0.000 0.518 281 K N 0.904 121.352 120.400 0.081 0.000 2.439 281 K HA -0.101 4.225 4.320 0.011 0.000 0.197 281 K C 1.527 178.163 176.600 0.059 0.000 1.041 281 K CA 0.563 56.885 56.287 0.059 0.000 0.970 281 K CB 0.092 32.619 32.500 0.045 0.000 0.773 281 K HN 0.097 nan 8.250 nan 0.000 0.479 282 D N 1.755 122.206 120.400 0.086 0.000 2.144 282 D HA -0.214 4.433 4.640 0.011 0.000 0.199 282 D C 0.946 177.303 176.300 0.095 0.000 0.984 282 D CA 1.802 55.856 54.000 0.089 0.000 0.834 282 D CB 0.197 41.099 40.800 0.170 0.000 0.955 282 D HN 0.295 nan 8.370 nan 0.000 0.465 283 D N -1.652 118.815 120.400 0.112 0.000 3.164 283 D HA -0.274 4.373 4.640 0.011 0.000 0.194 283 D C 1.432 177.786 176.300 0.091 0.000 1.437 283 D CA 1.728 55.775 54.000 0.078 0.000 2.125 283 D CB -1.443 39.390 40.800 0.055 0.000 1.321 283 D HN 0.326 nan 8.370 nan 0.000 0.465 284 L N -0.115 121.188 121.223 0.133 0.000 2.095 284 L HA 0.066 4.413 4.340 0.011 0.000 0.204 284 L C 2.473 179.503 176.870 0.265 0.000 1.080 284 L CA 1.262 56.207 54.840 0.175 0.000 0.759 284 L CB -0.742 41.398 42.059 0.136 0.000 0.914 284 L HN 0.437 nan 8.230 nan 0.000 0.439 285 W N 1.060 122.475 121.300 0.193 0.000 2.304 285 W HA -0.249 4.417 4.660 0.011 0.000 0.315 285 W C 1.934 178.385 176.519 -0.114 0.000 1.233 285 W CA 1.685 59.033 57.345 0.006 0.000 1.261 285 W CB -0.061 29.421 29.460 0.037 0.000 1.150 285 W HN -0.058 nan 8.180 nan 0.000 0.494 286 V N 0.763 120.606 119.914 -0.119 0.000 2.982 286 V HA -0.247 3.879 4.120 0.011 0.000 0.265 286 V C 2.088 177.981 176.094 -0.335 0.000 1.122 286 V CA 2.052 64.163 62.300 -0.315 0.000 1.143 286 V CB -0.793 30.957 31.823 -0.122 0.000 0.726 286 V HN 0.254 nan 8.190 nan 0.000 0.507 287 E N -1.008 119.060 120.200 -0.220 0.000 2.431 287 E HA 0.047 4.404 4.350 0.011 0.000 0.200 287 E C 1.811 178.288 176.600 -0.206 0.000 0.995 287 E CA 0.251 56.552 56.400 -0.165 0.000 0.915 287 E CB 0.367 30.038 29.700 -0.047 0.000 0.930 287 E HN 0.431 nan 8.360 nan 0.000 0.496 288 M N 0.134 119.566 119.600 -0.280 0.000 2.571 288 M HA 0.073 4.560 4.480 0.011 0.000 0.259 288 M C 2.015 178.111 176.300 -0.340 0.000 1.205 288 M CA 0.390 55.544 55.300 -0.244 0.000 1.138 288 M CB -0.623 31.897 32.600 -0.133 0.000 1.329 288 M HN 0.055 nan 8.290 nan 0.000 0.503 289 R N 0.660 120.639 120.500 -0.867 0.000 2.196 289 R HA -0.242 4.105 4.340 0.011 0.000 0.259 289 R C 1.125 177.066 176.300 -0.598 0.000 1.154 289 R CA 2.247 57.600 56.100 -1.245 0.000 0.976 289 R CB -1.067 28.174 30.300 -1.765 0.000 0.888 289 R HN 0.415 nan 8.270 nan 0.000 0.453 290 H N 0.261 119.144 119.070 -0.311 0.000 2.592 290 H HA 0.259 4.821 4.556 0.011 0.000 0.265 290 H C 0.477 175.753 175.328 -0.087 0.000 0.955 290 H CA -0.090 55.860 56.048 -0.163 0.000 1.175 290 H CB 0.034 29.707 29.762 -0.148 0.000 1.433 290 H HN 0.381 nan 8.280 nan 0.000 0.537 291 Q N 0.763 120.552 119.800 -0.018 0.000 2.454 291 Q HA -0.006 4.340 4.340 0.011 0.000 0.247 291 Q C 0.204 176.193 176.000 -0.018 0.000 1.028 291 Q CA 0.014 55.806 55.803 -0.017 0.000 0.910 291 Q CB 1.051 29.734 28.738 -0.092 0.000 1.276 291 Q HN 0.322 nan 8.270 nan 0.000 0.489 292 H N 3.174 122.183 119.070 -0.103 0.000 2.742 292 H HA 0.020 4.583 4.556 0.012 0.000 0.302 292 H C 1.171 176.350 175.328 -0.248 0.000 1.069 292 H CA -0.177 55.757 56.048 -0.190 0.000 1.446 292 H CB 0.613 30.184 29.762 -0.318 0.000 1.462 292 H HN 0.681 nan 8.280 nan 0.000 0.499 293 I N 4.766 125.176 120.570 -0.267 0.000 2.141 293 I HA -0.438 3.739 4.170 0.011 0.000 0.243 293 I C 2.457 178.521 176.117 -0.089 0.000 1.035 293 I CA 2.011 63.188 61.300 -0.205 0.000 1.302 293 I CB -1.404 36.465 38.000 -0.218 0.000 1.006 293 I HN 0.795 nan 8.210 nan 0.000 0.413 294 A N 0.103 122.971 122.820 0.079 0.000 1.969 294 A HA -0.275 4.051 4.320 0.011 0.000 0.223 294 A C 2.065 179.642 177.584 -0.012 0.000 1.218 294 A CA 3.344 55.378 52.037 -0.005 0.000 0.667 294 A CB -1.072 17.857 19.000 -0.118 0.000 0.826 294 A HN 0.535 nan 8.150 nan 0.000 0.472 295 V N -4.044 115.861 119.914 -0.015 0.000 3.528 295 V HA 0.207 4.334 4.120 0.011 0.000 0.294 295 V C 1.770 177.804 176.094 -0.099 0.000 1.404 295 V CA 0.699 62.980 62.300 -0.030 0.000 1.065 295 V CB -0.256 31.575 31.823 0.014 0.000 0.904 295 V HN 0.144 nan 8.190 nan 0.000 0.435 296 V N 0.998 120.794 119.914 -0.196 0.000 2.223 296 V HA -0.234 3.893 4.120 0.011 0.000 0.244 296 V C 2.863 178.819 176.094 -0.230 0.000 1.045 296 V CA 2.817 64.915 62.300 -0.336 0.000 1.000 296 V CB -0.900 30.480 31.823 -0.738 0.000 0.635 296 V HN 0.681 nan 8.190 nan 0.000 0.445 297 S N -0.866 114.723 115.700 -0.186 0.000 2.365 297 S HA -0.372 4.104 4.470 0.011 0.000 0.225 297 S C 2.150 176.718 174.600 -0.053 0.000 1.039 297 S CA 2.517 60.662 58.200 -0.091 0.000 1.033 297 S CB -0.455 62.706 63.200 -0.065 0.000 0.887 297 S HN 0.676 nan 8.310 nan 0.000 0.447 298 Q N 0.639 120.406 119.800 -0.055 0.000 2.062 298 Q HA -0.214 4.133 4.340 0.011 0.000 0.209 298 Q C 1.822 177.808 176.000 -0.023 0.000 0.996 298 Q CA 2.302 58.085 55.803 -0.032 0.000 0.859 298 Q CB -0.445 28.277 28.738 -0.027 0.000 0.920 298 Q HN 0.801 nan 8.270 nan 0.000 0.415 299 N N -0.477 118.204 118.700 -0.032 0.000 2.416 299 N HA -0.072 4.674 4.740 0.011 0.000 0.177 299 N C 1.774 177.296 175.510 0.021 0.000 1.036 299 N CA 0.547 53.590 53.050 -0.011 0.000 0.901 299 N CB 0.239 38.712 38.487 -0.023 0.000 0.976 299 N HN 0.114 nan 8.380 nan 0.000 0.444 300 V N 1.620 121.549 119.914 0.024 0.000 2.379 300 V HA -0.185 3.942 4.120 0.011 0.000 0.245 300 V C 2.172 178.333 176.094 0.112 0.000 1.044 300 V CA 2.208 64.581 62.300 0.122 0.000 1.036 300 V CB -0.690 31.222 31.823 0.148 0.000 0.664 300 V HN 0.386 nan 8.190 nan 0.000 0.453 301 T N -1.650 112.926 114.554 0.037 0.000 2.867 301 T HA -0.107 4.250 4.350 0.011 0.000 0.268 301 T C 1.908 176.588 174.700 -0.034 0.000 1.057 301 T CA 0.890 62.979 62.100 -0.017 0.000 1.136 301 T CB -0.347 68.509 68.868 -0.020 0.000 0.874 301 T HN 0.323 nan 8.240 nan 0.000 0.466 302 K N 1.386 121.782 120.400 -0.006 0.000 2.211 302 K HA 0.073 4.399 4.320 0.011 0.000 0.203 302 K C 2.159 178.763 176.600 0.007 0.000 1.050 302 K CA 1.036 57.320 56.287 -0.005 0.000 0.945 302 K CB -0.189 32.313 32.500 0.004 0.000 0.732 302 K HN 0.385 nan 8.250 nan 0.000 0.451 303 K N 0.755 121.178 120.400 0.038 0.000 2.305 303 K HA -0.009 4.317 4.320 0.011 0.000 0.199 303 K C 1.825 178.420 176.600 -0.009 0.000 1.047 303 K CA 0.207 56.552 56.287 0.097 0.000 0.976 303 K CB 0.057 32.687 32.500 0.216 0.000 0.765 303 K HN -0.041 nan 8.250 nan 0.000 0.474 304 L N 0.861 121.947 121.223 -0.228 0.000 2.131 304 L HA 0.046 4.393 4.340 0.011 0.000 0.206 304 L C 1.869 178.582 176.870 -0.263 0.000 1.087 304 L CA 1.716 56.170 54.840 -0.643 0.000 0.767 304 L CB -0.493 41.202 42.059 -0.607 0.000 0.917 304 L HN -0.001 nan 8.230 nan 0.000 0.441 305 K N 0.524 120.846 120.400 -0.129 0.000 2.147 305 K HA -0.222 4.105 4.320 0.011 0.000 0.205 305 K C 1.986 178.574 176.600 -0.021 0.000 1.049 305 K CA 2.081 58.331 56.287 -0.062 0.000 0.936 305 K CB -0.406 32.069 32.500 -0.043 0.000 0.722 305 K HN 0.753 nan 8.250 nan 0.000 0.446 306 Q N -1.355 118.448 119.800 0.005 0.000 2.403 306 Q HA -0.005 4.341 4.340 0.011 0.000 0.203 306 Q C 1.630 177.664 176.000 0.057 0.000 0.932 306 Q CA 0.306 56.125 55.803 0.027 0.000 0.945 306 Q CB -0.213 28.548 28.738 0.039 0.000 1.045 306 Q HN 0.325 nan 8.270 nan 0.000 0.511 307 F N 1.341 121.236 119.950 -0.092 0.000 2.188 307 F HA 0.315 4.848 4.527 0.011 0.000 0.289 307 F C 2.207 177.941 175.800 -0.110 0.000 1.082 307 F CA 1.081 59.042 58.000 -0.065 0.000 1.282 307 F CB -0.454 38.493 39.000 -0.089 0.000 1.060 307 F HN 0.090 nan 8.300 nan 0.000 0.493 308 A N 0.556 123.525 122.820 0.249 0.000 1.933 308 A HA -0.218 4.109 4.320 0.011 0.000 0.218 308 A C 1.861 179.412 177.584 -0.055 0.000 1.175 308 A CA 1.724 53.812 52.037 0.083 0.000 0.628 308 A CB -1.338 17.686 19.000 0.041 0.000 0.814 308 A HN 0.634 nan 8.150 nan 0.000 0.444 309 D N 0.214 120.588 120.400 -0.043 0.000 2.403 309 D HA -0.131 4.516 4.640 0.011 0.000 0.227 309 D C 0.544 176.794 176.300 -0.082 0.000 0.995 309 D CA 0.816 54.783 54.000 -0.054 0.000 0.928 309 D CB -0.386 40.393 40.800 -0.035 0.000 0.887 309 D HN 0.617 nan 8.370 nan 0.000 0.529 310 E N 0.180 120.296 120.200 -0.140 0.000 2.499 310 E HA 0.123 4.480 4.350 0.011 0.000 0.207 310 E C 0.647 177.138 176.600 -0.181 0.000 1.034 310 E CA -0.158 56.143 56.400 -0.164 0.000 1.098 310 E CB 0.303 29.869 29.700 -0.223 0.000 1.148 310 E HN 0.468 nan 8.360 nan 0.000 0.447 311 K N -1.292 119.017 120.400 -0.151 0.000 2.075 311 K HA 0.025 4.352 4.320 0.011 0.000 0.182 311 K C 0.317 176.847 176.600 -0.116 0.000 2.673 311 K CA -0.562 55.645 56.287 -0.132 0.000 1.276 311 K CB 0.090 32.479 32.500 -0.186 0.000 2.933 311 K HN -0.042 nan 8.250 nan 0.000 0.336 322 I N 1.760 122.327 120.570 -0.004 0.000 2.336 322 I HA 0.438 4.614 4.170 0.011 0.000 0.292 322 I C 0.411 176.524 176.117 -0.005 0.000 0.991 322 I CA -0.723 60.575 61.300 -0.004 0.000 1.227 322 I CB 1.934 39.932 38.000 -0.003 0.000 1.366 322 I HN 0.404 nan 8.210 nan 0.000 0.466 323 K N 5.567 125.964 120.400 -0.005 0.000 2.211 323 K HA 0.234 4.561 4.320 0.011 0.000 0.275 323 K C -0.776 175.820 176.600 -0.006 0.000 1.024 323 K CA -0.485 55.798 56.287 -0.007 0.000 0.887 323 K CB 0.790 33.286 32.500 -0.007 0.000 1.084 323 K HN 0.638 nan 8.250 nan 0.000 0.463 324 D N 5.793 126.189 120.400 -0.007 0.000 2.427 324 D HA 0.117 4.764 4.640 0.011 0.000 0.226 324 D C 0.096 176.392 176.300 -0.006 0.000 1.076 324 D CA -0.489 53.508 54.000 -0.005 0.000 0.849 324 D CB 1.072 41.869 40.800 -0.005 0.000 1.052 324 D HN 0.421 nan 8.370 nan 0.000 0.515 325 L N 3.298 124.519 121.223 -0.004 0.000 2.627 325 L HA 0.061 4.408 4.340 0.011 0.000 0.232 325 L C 2.178 179.047 176.870 -0.001 0.000 1.150 325 L CA 0.311 55.149 54.840 -0.003 0.000 0.917 325 L CB -0.637 41.420 42.059 -0.002 0.000 1.104 325 L HN 0.281 nan 8.230 nan 0.000 0.445 326 S N -0.452 115.248 115.700 -0.000 0.000 2.344 326 S HA -0.225 4.251 4.470 0.011 0.000 0.217 326 S C 1.879 176.482 174.600 0.005 0.000 1.033 326 S CA 1.148 59.350 58.200 0.003 0.000 1.017 326 S CB -0.148 63.053 63.200 0.003 0.000 0.941 326 S HN 0.395 nan 8.310 nan 0.000 0.430 327 Q N 0.776 120.576 119.800 0.000 0.000 2.197 327 Q HA -0.049 4.298 4.340 0.011 0.000 0.207 327 Q C 2.032 178.031 176.000 -0.001 0.000 0.984 327 Q CA 1.328 57.130 55.803 -0.001 0.000 0.869 327 Q CB -0.491 28.240 28.738 -0.013 0.000 0.906 327 Q HN 0.547 nan 8.270 nan 0.000 0.426 328 M N -0.722 118.876 119.600 -0.004 0.000 2.059 328 M HA -0.177 4.310 4.480 0.011 0.000 0.259 328 M C 1.945 178.254 176.300 0.015 0.000 1.072 328 M CA 1.471 56.769 55.300 -0.003 0.000 1.117 328 M CB -0.283 32.314 32.600 -0.005 0.000 1.320 328 M HN 0.375 nan 8.290 nan 0.000 0.408 329 L N 0.213 121.446 121.223 0.016 0.000 2.043 329 L HA -0.306 4.040 4.340 0.011 0.000 0.212 329 L C 2.383 179.273 176.870 0.034 0.000 1.075 329 L CA 1.520 56.374 54.840 0.023 0.000 0.752 329 L CB -0.404 41.665 42.059 0.017 0.000 0.891 329 L HN 0.311 nan 8.230 nan 0.000 0.432 330 K N 0.651 121.070 120.400 0.032 0.000 1.983 330 K HA -0.187 4.140 4.320 0.011 0.000 0.225 330 K C 1.273 177.915 176.600 0.069 0.000 1.030 330 K CA 1.431 57.743 56.287 0.042 0.000 1.027 330 K CB -0.449 32.072 32.500 0.034 0.000 0.757 330 K HN 0.244 nan 8.250 nan 0.000 0.444 331 K N 1.339 121.788 120.400 0.081 0.000 3.358 331 K HA 0.006 4.332 4.320 0.011 0.000 0.297 331 K C 1.318 178.034 176.600 0.192 0.000 1.064 331 K CA -0.030 56.351 56.287 0.157 0.000 1.144 331 K CB -0.098 32.492 32.500 0.150 0.000 1.289 331 K HN 0.267 nan 8.250 nan 0.000 0.372 332 M N 0.240 119.933 119.600 0.155 0.000 2.906 332 M HA 0.060 4.547 4.480 0.011 0.000 0.252 332 M C -1.281 175.133 176.300 0.189 0.000 1.359 332 M CA 0.188 55.581 55.300 0.156 0.000 1.239 332 M CB 0.167 32.815 32.600 0.080 0.000 1.229 332 M HN -0.049 nan 8.290 nan 0.000 0.547 333 P HA -0.160 nan 4.420 nan 0.000 0.223 333 P C 0.849 178.210 177.300 0.101 0.000 1.144 333 P CA 1.137 64.294 63.100 0.095 0.000 0.783 333 P CB -0.207 31.530 31.700 0.062 0.000 0.771 334 Q N -1.776 118.120 119.800 0.160 0.000 2.311 334 Q HA -0.118 4.229 4.340 0.011 0.000 0.203 334 Q C 0.480 176.449 176.000 -0.053 0.000 0.954 334 Q CA 1.137 56.980 55.803 0.068 0.000 0.885 334 Q CB -0.000 28.817 28.738 0.132 0.000 0.963 334 Q HN 0.284 nan 8.270 nan 0.000 0.471 335 Y N -1.014 119.339 120.300 0.087 0.000 2.588 335 Y HA 0.204 4.760 4.550 0.011 0.000 0.247 335 Y C 1.436 177.377 175.900 0.069 0.000 1.157 335 Y CA -0.518 57.658 58.100 0.125 0.000 1.215 335 Y CB 0.583 39.193 38.460 0.249 0.000 1.245 335 Y HN 0.004 nan 8.280 nan 0.000 0.534 336 Q N 1.076 120.972 119.800 0.160 0.000 2.242 336 Q HA -0.269 4.078 4.340 0.011 0.000 0.211 336 Q C 1.889 177.918 176.000 0.049 0.000 0.992 336 Q CA 1.483 57.337 55.803 0.084 0.000 0.889 336 Q CB -0.099 28.670 28.738 0.052 0.000 0.913 336 Q HN 0.481 nan 8.270 nan 0.000 0.422 337 K N 0.256 120.681 120.400 0.043 0.000 2.280 337 K HA -0.140 4.187 4.320 0.011 0.000 0.202 337 K C 1.480 178.087 176.600 0.012 0.000 1.047 337 K CA 1.179 57.472 56.287 0.011 0.000 0.942 337 K CB 0.255 32.753 32.500 -0.003 0.000 0.739 337 K HN 0.302 nan 8.250 nan 0.000 0.457 338 E N -0.422 119.816 120.200 0.062 0.000 2.290 338 E HA 0.016 4.373 4.350 0.011 0.000 0.199 338 E C 1.699 178.256 176.600 -0.071 0.000 0.912 338 E CA 0.047 56.466 56.400 0.033 0.000 0.924 338 E CB 0.129 29.969 29.700 0.234 0.000 0.901 338 E HN 0.145 nan 8.360 nan 0.000 0.487 339 L N 2.109 123.304 121.223 -0.046 0.000 2.450 339 L HA -0.112 4.235 4.340 0.011 0.000 0.224 339 L C 2.505 179.398 176.870 0.038 0.000 1.149 339 L CA 1.018 55.837 54.840 -0.035 0.000 0.816 339 L CB -0.660 41.375 42.059 -0.040 0.000 0.932 339 L HN 0.177 nan 8.230 nan 0.000 0.449 340 S N -0.980 114.709 115.700 -0.018 0.000 2.387 340 S HA -0.101 4.376 4.470 0.011 0.000 0.226 340 S C 1.937 176.473 174.600 -0.107 0.000 1.026 340 S CA 0.233 58.407 58.200 -0.043 0.000 0.972 340 S CB -0.080 63.081 63.200 -0.064 0.000 0.814 340 S HN 0.258 nan 8.310 nan 0.000 0.477 341 K N 1.635 121.907 120.400 -0.213 0.000 1.988 341 K HA -0.137 4.189 4.320 0.011 0.000 0.221 341 K C 1.898 178.255 176.600 -0.404 0.000 1.053 341 K CA 2.060 58.097 56.287 -0.417 0.000 0.959 341 K CB -1.318 30.818 32.500 -0.607 0.000 0.728 341 K HN 0.542 nan 8.250 nan 0.000 0.447 342 Y N 2.146 122.354 120.300 -0.153 0.000 2.096 342 Y HA -0.281 4.276 4.550 0.012 0.000 0.278 342 Y C 2.743 178.652 175.900 0.015 0.000 1.192 342 Y CA 1.710 59.781 58.100 -0.049 0.000 1.143 342 Y CB -1.072 37.342 38.460 -0.077 0.000 0.963 342 Y HN 0.099 nan 8.280 nan 0.000 0.505 343 S N -0.311 115.486 115.700 0.162 0.000 2.377 343 S HA -0.320 4.157 4.470 0.011 0.000 0.224 343 S C 2.245 177.002 174.600 0.262 0.000 1.042 343 S CA 2.512 60.820 58.200 0.179 0.000 1.086 343 S CB -1.296 61.980 63.200 0.126 0.000 0.995 343 S HN 0.753 nan 8.310 nan 0.000 0.428 344 T N 0.350 114.995 114.554 0.152 0.000 2.720 344 T HA -0.207 4.150 4.350 0.011 0.000 0.268 344 T C 1.500 176.425 174.700 0.375 0.000 1.037 344 T CA 1.814 64.043 62.100 0.216 0.000 1.144 344 T CB -0.967 67.925 68.868 0.041 0.000 0.864 344 T HN 0.628 nan 8.240 nan 0.000 0.444 345 H N 0.484 119.689 119.070 0.224 0.000 2.457 345 H HA 0.191 4.753 4.556 0.011 0.000 0.294 345 H C 2.164 177.652 175.328 0.265 0.000 1.064 345 H CA 0.839 57.057 56.048 0.283 0.000 1.330 345 H CB -0.086 29.839 29.762 0.271 0.000 1.395 345 H HN 0.272 nan 8.280 nan 0.000 0.541 346 L N -0.270 121.147 121.223 0.322 0.000 2.240 346 L HA -0.141 4.206 4.340 0.011 0.000 0.211 346 L C 2.206 179.156 176.870 0.134 0.000 1.106 346 L CA 0.653 55.595 54.840 0.169 0.000 0.793 346 L CB -0.169 41.943 42.059 0.088 0.000 0.927 346 L HN 0.474 nan 8.230 nan 0.000 0.446 347 H N -0.996 118.210 119.070 0.226 0.000 2.470 347 H HA -0.065 4.498 4.556 0.011 0.000 0.289 347 H C 2.006 177.516 175.328 0.303 0.000 1.033 347 H CA 1.002 57.201 56.048 0.252 0.000 1.331 347 H CB 0.535 30.460 29.762 0.271 0.000 1.414 347 H HN 0.175 nan 8.280 nan 0.000 0.545 348 L N 0.768 122.220 121.223 0.382 0.000 2.044 348 L HA 0.016 4.362 4.340 0.011 0.000 0.205 348 L C 2.590 179.615 176.870 0.257 0.000 1.075 348 L CA 1.654 56.558 54.840 0.107 0.000 0.747 348 L CB -0.945 41.113 42.059 -0.002 0.000 0.903 348 L HN 0.110 nan 8.230 nan 0.000 0.435 349 A N -0.837 122.186 122.820 0.338 0.000 1.908 349 A HA -0.238 4.089 4.320 0.011 0.000 0.218 349 A C 2.139 179.799 177.584 0.126 0.000 1.181 349 A CA 1.845 53.996 52.037 0.190 0.000 0.627 349 A CB -0.608 18.387 19.000 -0.008 0.000 0.818 349 A HN 0.575 nan 8.150 nan 0.000 0.445 350 E N -0.294 119.976 120.200 0.116 0.000 2.023 350 E HA -0.240 4.116 4.350 0.011 0.000 0.196 350 E C 1.734 178.410 176.600 0.126 0.000 1.003 350 E CA 1.434 57.888 56.400 0.090 0.000 0.809 350 E CB -0.326 29.409 29.700 0.059 0.000 0.755 350 E HN 0.537 nan 8.360 nan 0.000 0.449 351 D N 0.041 120.546 120.400 0.175 0.000 2.133 351 D HA -0.170 4.476 4.640 0.011 0.000 0.195 351 D C 1.971 178.359 176.300 0.147 0.000 0.997 351 D CA 0.924 55.030 54.000 0.177 0.000 0.840 351 D CB -0.361 40.580 40.800 0.234 0.000 0.947 351 D HN 0.213 nan 8.370 nan 0.000 0.452 352 C N -0.017 119.369 119.300 0.142 0.000 2.429 352 C HA -0.076 4.391 4.460 0.011 0.000 0.277 352 C C 2.605 177.691 174.990 0.161 0.000 1.262 352 C CA 0.373 59.481 59.018 0.150 0.000 1.733 352 C CB -0.590 27.253 27.740 0.172 0.000 2.010 352 C HN 0.380 nan 8.230 nan 0.000 0.483 353 M N 1.054 120.727 119.600 0.122 0.000 2.156 353 M HA -0.040 4.447 4.480 0.011 0.000 0.264 353 M C 2.193 178.595 176.300 0.169 0.000 1.067 353 M CA 1.483 56.853 55.300 0.117 0.000 1.131 353 M CB -1.364 31.264 32.600 0.046 0.000 1.368 353 M HN 0.292 nan 8.290 nan 0.000 0.416 354 K N 1.079 121.559 120.400 0.133 0.000 2.020 354 K HA -0.232 4.095 4.320 0.011 0.000 0.212 354 K C 1.967 178.649 176.600 0.135 0.000 1.050 354 K CA 2.028 58.386 56.287 0.118 0.000 0.929 354 K CB -0.761 31.798 32.500 0.099 0.000 0.714 354 K HN 0.170 nan 8.250 nan 0.000 0.443 355 Q N -0.849 119.045 119.800 0.157 0.000 2.061 355 Q HA -0.149 4.198 4.340 0.011 0.000 0.204 355 Q C 2.057 178.214 176.000 0.261 0.000 0.984 355 Q CA 2.021 57.933 55.803 0.182 0.000 0.846 355 Q CB -0.644 28.216 28.738 0.204 0.000 0.902 355 Q HN 0.541 nan 8.270 nan 0.000 0.421 356 Y N 0.492 120.866 120.300 0.124 0.000 2.049 356 Y HA -0.324 4.232 4.550 0.011 0.000 0.277 356 Y C 2.116 178.073 175.900 0.096 0.000 1.143 356 Y CA 2.224 60.380 58.100 0.093 0.000 1.115 356 Y CB -0.333 38.162 38.460 0.058 0.000 0.975 356 Y HN 0.145 nan 8.280 nan 0.000 0.487 357 Q N 0.527 120.539 119.800 0.354 0.000 2.173 357 Q HA -0.312 4.035 4.340 0.011 0.000 0.208 357 Q C 2.270 178.312 176.000 0.070 0.000 0.989 357 Q CA 2.091 58.016 55.803 0.204 0.000 0.872 357 Q CB -0.631 28.227 28.738 0.200 0.000 0.909 357 Q HN 0.715 nan 8.270 nan 0.000 0.420 358 Q N -0.553 119.297 119.800 0.083 0.000 2.014 358 Q HA -0.216 4.131 4.340 0.011 0.000 0.207 358 Q C 1.489 177.530 176.000 0.068 0.000 0.993 358 Q CA 2.278 58.098 55.803 0.028 0.000 0.850 358 Q CB 0.074 28.776 28.738 -0.060 0.000 0.916 358 Q HN 0.846 nan 8.270 nan 0.000 0.417 359 H N -5.866 113.138 119.070 -0.110 0.000 3.881 359 H HA 0.212 4.775 4.556 0.011 0.000 0.256 359 H C 1.643 176.824 175.328 -0.245 0.000 1.069 359 H CA 0.288 56.250 56.048 -0.143 0.000 1.145 359 H CB 0.105 29.811 29.762 -0.094 0.000 1.445 359 H HN -0.001 nan 8.280 nan 0.000 0.700 360 V N 3.444 123.126 119.914 -0.386 0.000 2.343 360 V HA -0.322 3.805 4.120 0.011 0.000 0.247 360 V C 2.505 178.194 176.094 -0.675 0.000 1.051 360 V CA 2.326 64.234 62.300 -0.653 0.000 1.036 360 V CB -0.577 30.947 31.823 -0.500 0.000 0.654 360 V HN 0.674 nan 8.190 nan 0.000 0.451 361 D N 1.455 121.258 120.400 -0.995 0.000 2.230 361 D HA -0.351 4.296 4.640 0.011 0.000 0.189 361 D C 1.846 177.958 176.300 -0.313 0.000 1.006 361 D CA 2.231 55.747 54.000 -0.806 0.000 0.853 361 D CB -0.598 39.863 40.800 -0.564 0.000 0.959 361 D HN 0.478 nan 8.370 nan 0.000 0.449 362 K N 0.371 120.626 120.400 -0.242 0.000 2.160 362 K HA -0.077 4.250 4.320 0.011 0.000 0.206 362 K C 2.593 179.111 176.600 -0.136 0.000 1.047 362 K CA 1.024 57.229 56.287 -0.137 0.000 0.930 362 K CB -0.219 32.218 32.500 -0.106 0.000 0.720 362 K HN 0.263 nan 8.250 nan 0.000 0.450 363 L N 0.266 121.357 121.223 -0.221 0.000 2.109 363 L HA -0.175 4.171 4.340 0.011 0.000 0.207 363 L C 2.540 179.327 176.870 -0.138 0.000 1.086 363 L CA 0.712 55.426 54.840 -0.210 0.000 0.760 363 L CB -0.481 41.344 42.059 -0.391 0.000 0.910 363 L HN 0.292 nan 8.230 nan 0.000 0.437 364 C N 0.667 119.881 119.300 -0.143 0.000 2.429 364 C HA -0.156 4.311 4.460 0.011 0.000 0.277 364 C C 2.831 177.831 174.990 0.017 0.000 1.262 364 C CA 1.172 60.172 59.018 -0.029 0.000 1.733 364 C CB -0.811 26.946 27.740 0.029 0.000 2.010 364 C HN 0.567 nan 8.230 nan 0.000 0.483 365 K N 0.865 121.271 120.400 0.012 0.000 2.103 365 K HA -0.125 4.202 4.320 0.011 0.000 0.207 365 K C 1.713 178.339 176.600 0.044 0.000 1.048 365 K CA 1.766 58.077 56.287 0.040 0.000 0.930 365 K CB -0.626 31.895 32.500 0.036 0.000 0.716 365 K HN 0.344 nan 8.250 nan 0.000 0.444 366 V N 2.306 122.235 119.914 0.025 0.000 2.307 366 V HA -0.185 3.942 4.120 0.011 0.000 0.245 366 V C 2.255 178.385 176.094 0.060 0.000 1.045 366 V CA 1.925 64.252 62.300 0.045 0.000 1.024 366 V CB -0.461 31.377 31.823 0.025 0.000 0.651 366 V HN 0.385 nan 8.190 nan 0.000 0.449 367 E N -0.417 119.804 120.200 0.035 0.000 2.085 367 E HA -0.270 4.087 4.350 0.011 0.000 0.194 367 E C 2.363 178.980 176.600 0.029 0.000 0.994 367 E CA 1.277 57.691 56.400 0.023 0.000 0.801 367 E CB -0.188 29.520 29.700 0.013 0.000 0.743 367 E HN 0.525 nan 8.360 nan 0.000 0.453 368 Q N 0.822 120.655 119.800 0.055 0.000 2.084 368 Q HA -0.165 4.182 4.340 0.011 0.000 0.202 368 Q C 1.801 177.868 176.000 0.112 0.000 0.978 368 Q CA 1.187 57.040 55.803 0.083 0.000 0.844 368 Q CB -0.318 28.474 28.738 0.091 0.000 0.898 368 Q HN 0.313 nan 8.270 nan 0.000 0.426 369 D N 0.452 120.923 120.400 0.118 0.000 2.092 369 D HA -0.122 4.524 4.640 0.011 0.000 0.193 369 D C 2.200 178.624 176.300 0.207 0.000 0.994 369 D CA 0.818 54.911 54.000 0.155 0.000 0.828 369 D CB -0.268 40.626 40.800 0.155 0.000 0.963 369 D HN 0.194 nan 8.370 nan 0.000 0.450 370 L N 0.643 121.991 121.223 0.208 0.000 2.012 370 L HA -0.175 4.172 4.340 0.011 0.000 0.210 370 L C 2.582 179.563 176.870 0.186 0.000 1.073 370 L CA 1.311 56.313 54.840 0.270 0.000 0.748 370 L CB -0.522 41.643 42.059 0.177 0.000 0.891 370 L HN -0.012 nan 8.230 nan 0.000 0.431 371 A N -0.780 122.079 122.820 0.064 0.000 1.898 371 A HA -0.223 4.104 4.320 0.011 0.000 0.216 371 A C 2.201 179.942 177.584 0.262 0.000 1.181 371 A CA 1.753 53.765 52.037 -0.041 0.000 0.620 371 A CB -0.377 18.412 19.000 -0.352 0.000 0.819 371 A HN 0.290 nan 8.150 nan 0.000 0.442 372 M N -1.762 118.000 119.600 0.269 0.000 2.123 372 M HA 0.170 4.657 4.480 0.011 0.000 0.263 372 M C 1.678 178.085 176.300 0.179 0.000 1.069 372 M CA 1.777 57.247 55.300 0.282 0.000 1.133 372 M CB -0.313 32.409 32.600 0.203 0.000 1.356 372 M HN 0.786 nan 8.290 nan 0.000 0.415 373 G N -1.326 107.536 108.800 0.103 0.000 2.258 373 G HA2 -0.226 3.740 3.960 0.011 0.000 0.233 373 G HA3 -0.226 3.740 3.960 0.011 0.000 0.233 373 G C 0.517 175.450 174.900 0.056 0.000 1.006 373 G CA 0.545 45.621 45.100 -0.039 0.000 0.620 373 G HN 0.787 nan 8.290 nan 0.000 0.511 374 T N -0.234 114.376 114.554 0.094 0.000 2.924 374 T HA 0.644 5.000 4.350 0.011 0.000 0.291 374 T C -0.123 174.644 174.700 0.111 0.000 1.045 374 T CA 0.285 62.441 62.100 0.093 0.000 1.015 374 T CB 2.528 71.450 68.868 0.091 0.000 1.103 374 T HN 0.449 nan 8.240 nan 0.000 0.496 375 D N 0.950 121.407 120.400 0.096 0.000 2.469 375 D HA 0.523 5.170 4.640 0.011 0.000 0.278 375 D C 1.779 178.143 176.300 0.108 0.000 1.231 375 D CA -0.339 53.718 54.000 0.095 0.000 1.075 375 D CB -0.192 40.651 40.800 0.072 0.000 1.121 375 D HN 0.639 nan 8.370 nan 0.000 0.571 376 A N -0.488 122.394 122.820 0.103 0.000 1.940 376 A HA -0.177 4.150 4.320 0.011 0.000 0.219 376 A C 1.475 179.127 177.584 0.114 0.000 1.176 376 A CA 1.663 53.774 52.037 0.123 0.000 0.631 376 A CB -0.792 18.269 19.000 0.103 0.000 0.814 376 A HN 0.580 nan 8.150 nan 0.000 0.446 377 D N -1.150 119.297 120.400 0.079 0.000 2.363 377 D HA 0.218 4.865 4.640 0.011 0.000 0.226 377 D C 1.305 177.637 176.300 0.055 0.000 1.020 377 D CA 1.051 55.085 54.000 0.057 0.000 0.892 377 D CB -0.083 40.740 40.800 0.039 0.000 0.900 377 D HN 0.663 nan 8.370 nan 0.000 0.531 378 G N 0.942 109.788 108.800 0.077 0.000 2.157 378 G HA2 -0.231 3.736 3.960 0.011 0.000 0.248 378 G HA3 -0.231 3.736 3.960 0.011 0.000 0.248 378 G C 0.016 174.949 174.900 0.054 0.000 0.979 378 G CA -0.310 44.833 45.100 0.071 0.000 0.650 378 G HN 0.168 nan 8.290 nan 0.000 0.529 379 E N 1.098 121.328 120.200 0.050 0.000 2.259 379 E HA 0.325 4.681 4.350 0.011 0.000 0.281 379 E C 0.576 177.200 176.600 0.039 0.000 1.027 379 E CA -0.547 55.874 56.400 0.036 0.000 0.838 379 E CB 0.861 30.578 29.700 0.028 0.000 1.066 379 E HN 0.186 nan 8.360 nan 0.000 0.401 380 K N 3.013 123.428 120.400 0.026 0.000 2.491 380 K HA 0.045 4.372 4.320 0.011 0.000 0.279 380 K C 0.838 177.459 176.600 0.035 0.000 1.026 380 K CA 0.138 56.440 56.287 0.025 0.000 1.070 380 K CB -0.070 32.431 32.500 0.002 0.000 0.887 380 K HN 0.535 nan 8.250 nan 0.000 0.481 381 I N 0.825 121.440 120.570 0.074 0.000 2.945 381 I HA 0.390 4.567 4.170 0.011 0.000 0.292 381 I C -0.013 176.067 176.117 -0.061 0.000 1.093 381 I CA -0.719 60.608 61.300 0.044 0.000 1.336 381 I CB 0.658 38.738 38.000 0.134 0.000 1.435 381 I HN 0.506 nan 8.210 nan 0.000 0.593 382 R N 0.798 121.153 120.500 -0.241 0.000 2.728 382 R HA 0.415 4.762 4.340 0.011 0.000 0.274 382 R C -1.287 174.781 176.300 -0.387 0.000 1.032 382 R CA -0.861 55.002 56.100 -0.396 0.000 0.866 382 R CB -0.149 30.062 30.300 -0.149 0.000 1.263 382 R HN 0.664 nan 8.270 nan 0.000 0.475 383 D N 0.220 120.416 120.400 -0.340 0.000 2.873 383 D HA -0.137 4.510 4.640 0.011 0.000 0.228 383 D C 0.527 176.743 176.300 -0.141 0.000 1.122 383 D CA 1.009 54.911 54.000 -0.162 0.000 0.758 383 D CB -1.002 39.739 40.800 -0.098 0.000 1.094 383 D HN 0.715 nan 8.370 nan 0.000 0.434 384 H N -0.119 118.963 119.070 0.020 0.000 2.255 384 H HA -0.189 4.374 4.556 0.012 0.000 0.290 384 H C 2.259 177.554 175.328 -0.055 0.000 1.087 384 H CA 1.649 57.704 56.048 0.011 0.000 1.213 384 H CB -0.135 29.678 29.762 0.085 0.000 1.349 384 H HN 0.253 nan 8.280 nan 0.000 0.487 385 M N 0.543 120.171 119.600 0.045 0.000 2.143 385 M HA -0.184 4.303 4.480 0.011 0.000 0.258 385 M C 2.321 178.609 176.300 -0.020 0.000 1.071 385 M CA 1.111 56.386 55.300 -0.042 0.000 1.088 385 M CB -1.081 31.497 32.600 -0.037 0.000 1.360 385 M HN 0.092 nan 8.290 nan 0.000 0.404 386 R N 0.716 121.210 120.500 -0.010 0.000 2.185 386 R HA -0.133 4.214 4.340 0.011 0.000 0.247 386 R C 1.418 177.711 176.300 -0.011 0.000 1.159 386 R CA 1.833 57.925 56.100 -0.013 0.000 0.988 386 R CB -0.639 29.651 30.300 -0.018 0.000 0.871 386 R HN 0.656 nan 8.270 nan 0.000 0.458 387 N N -1.660 117.038 118.700 -0.004 0.000 2.397 387 N HA 0.076 4.823 4.740 0.011 0.000 0.190 387 N C 0.967 176.472 175.510 -0.009 0.000 1.099 387 N CA 0.066 53.115 53.050 -0.000 0.000 0.876 387 N CB 0.342 38.840 38.487 0.018 0.000 1.143 387 N HN -0.004 nan 8.380 nan 0.000 0.468 388 I N 1.297 121.853 120.570 -0.023 0.000 2.110 388 I HA -0.163 4.014 4.170 0.011 0.000 0.236 388 I C 2.349 178.446 176.117 -0.034 0.000 1.068 388 I CA 1.134 62.403 61.300 -0.051 0.000 1.333 388 I CB -1.211 36.702 38.000 -0.146 0.000 1.054 388 I HN -0.099 nan 8.210 nan 0.000 0.402 389 V N 2.039 121.938 119.914 -0.026 0.000 2.278 389 V HA -0.218 3.908 4.120 0.011 0.000 0.251 389 V C -0.212 175.875 176.094 -0.011 0.000 1.062 389 V CA 2.347 64.650 62.300 0.005 0.000 1.038 389 V CB -2.112 29.713 31.823 0.004 0.000 0.646 389 V HN 0.270 nan 8.190 nan 0.000 0.447 390 P HA -0.125 nan 4.420 nan 0.000 0.221 390 P C 1.651 178.938 177.300 -0.021 0.000 1.145 390 P CA 1.312 64.398 63.100 -0.024 0.000 0.795 390 P CB -0.011 31.676 31.700 -0.022 0.000 0.775 391 I N -2.043 118.517 120.570 -0.016 0.000 2.339 391 I HA -0.096 4.081 4.170 0.011 0.000 0.245 391 I C 2.036 178.151 176.117 -0.004 0.000 1.096 391 I CA 0.994 62.285 61.300 -0.015 0.000 1.408 391 I CB -1.337 36.652 38.000 -0.017 0.000 1.092 391 I HN -0.060 nan 8.210 nan 0.000 0.423 392 L N 0.688 121.917 121.223 0.009 0.000 2.043 392 L HA -0.151 4.195 4.340 0.011 0.000 0.212 392 L C 2.244 179.133 176.870 0.031 0.000 1.075 392 L CA 1.727 56.589 54.840 0.038 0.000 0.752 392 L CB -0.775 41.328 42.059 0.074 0.000 0.891 392 L HN 0.185 nan 8.230 nan 0.000 0.432 393 L N -0.805 120.420 121.223 0.003 0.000 2.612 393 L HA 0.041 4.388 4.340 0.011 0.000 0.230 393 L C 0.316 177.145 176.870 -0.067 0.000 1.140 393 L CA -0.167 54.648 54.840 -0.040 0.000 0.896 393 L CB -0.350 41.678 42.059 -0.053 0.000 1.065 393 L HN 0.141 nan 8.230 nan 0.000 0.447 394 D N 0.871 121.244 120.400 -0.046 0.000 2.393 394 D HA -0.016 4.631 4.640 0.011 0.000 0.232 394 D C 0.948 177.215 176.300 -0.055 0.000 1.192 394 D CA 0.107 54.081 54.000 -0.044 0.000 0.882 394 D CB 1.223 42.009 40.800 -0.023 0.000 1.038 394 D HN 0.118 nan 8.370 nan 0.000 0.499 395 Q N 3.247 122.998 119.800 -0.081 0.000 2.364 395 Q HA -0.137 4.210 4.340 0.011 0.000 0.207 395 Q C 1.534 177.502 176.000 -0.053 0.000 0.970 395 Q CA 0.797 56.544 55.803 -0.093 0.000 0.888 395 Q CB 0.295 28.965 28.738 -0.114 0.000 0.951 395 Q HN 0.388 nan 8.270 nan 0.000 0.469 396 K N -0.011 120.367 120.400 -0.037 0.000 2.432 396 K HA -0.021 4.306 4.320 0.011 0.000 0.196 396 K C 0.117 176.719 176.600 0.004 0.000 1.038 396 K CA 0.058 56.331 56.287 -0.023 0.000 0.986 396 K CB 0.353 32.838 32.500 -0.025 0.000 0.782 396 K HN 0.108 nan 8.250 nan 0.000 0.485 397 I N 2.022 122.602 120.570 0.017 0.000 2.428 397 I HA -0.007 4.170 4.170 0.011 0.000 0.289 397 I C 0.847 176.996 176.117 0.053 0.000 1.019 397 I CA -0.062 61.275 61.300 0.062 0.000 1.351 397 I CB 1.198 39.223 38.000 0.043 0.000 1.412 397 I HN 0.074 nan 8.210 nan 0.000 0.513 398 S N 4.405 120.160 115.700 0.092 0.000 2.572 398 S HA 0.149 4.626 4.470 0.011 0.000 0.267 398 S C 1.261 175.896 174.600 0.057 0.000 1.361 398 S CA 0.383 58.623 58.200 0.067 0.000 1.009 398 S CB 0.878 64.147 63.200 0.114 0.000 0.888 398 S HN 0.719 nan 8.310 nan 0.000 0.553 399 A N 2.988 125.817 122.820 0.015 0.000 1.930 399 A HA 0.104 4.430 4.320 0.011 0.000 0.215 399 A C 1.815 179.500 177.584 0.169 0.000 1.176 399 A CA 0.850 52.908 52.037 0.034 0.000 0.632 399 A CB -0.802 18.162 19.000 -0.060 0.000 0.819 399 A HN 0.896 nan 8.150 nan 0.000 0.445 400 Y N 0.978 121.300 120.300 0.036 0.000 2.314 400 Y HA -0.086 4.471 4.550 0.011 0.000 0.293 400 Y C 1.988 177.907 175.900 0.032 0.000 1.129 400 Y CA 0.534 58.650 58.100 0.027 0.000 1.201 400 Y CB -0.541 37.934 38.460 0.026 0.000 0.999 400 Y HN 0.355 nan 8.280 nan 0.000 0.541 401 D N 0.066 120.596 120.400 0.217 0.000 2.117 401 D HA -0.148 4.498 4.640 0.011 0.000 0.197 401 D C 1.992 178.352 176.300 0.101 0.000 0.987 401 D CA 1.278 55.372 54.000 0.157 0.000 0.829 401 D CB -0.092 40.778 40.800 0.116 0.000 0.961 401 D HN 0.311 nan 8.370 nan 0.000 0.460 402 K N 0.385 120.840 120.400 0.090 0.000 2.057 402 K HA -0.048 4.279 4.320 0.011 0.000 0.207 402 K C 2.347 178.979 176.600 0.054 0.000 1.049 402 K CA 0.585 56.908 56.287 0.060 0.000 0.931 402 K CB -0.046 32.490 32.500 0.060 0.000 0.714 402 K HN 0.144 nan 8.250 nan 0.000 0.440 403 I N 0.908 121.525 120.570 0.079 0.000 2.208 403 I HA -0.306 3.871 4.170 0.011 0.000 0.245 403 I C 2.377 178.500 176.117 0.011 0.000 1.097 403 I CA 1.296 62.627 61.300 0.050 0.000 1.363 403 I CB -0.178 37.871 38.000 0.082 0.000 1.051 403 I HN 0.157 nan 8.210 nan 0.000 0.413 404 R N 0.731 121.238 120.500 0.011 0.000 2.080 404 R HA -0.183 4.163 4.340 0.011 0.000 0.236 404 R C 2.410 178.705 176.300 -0.009 0.000 1.137 404 R CA 2.006 58.093 56.100 -0.022 0.000 0.943 404 R CB -0.561 29.730 30.300 -0.015 0.000 0.846 404 R HN 0.482 nan 8.270 nan 0.000 0.431 405 I N -0.878 119.704 120.570 0.019 0.000 2.676 405 I HA -0.118 4.058 4.170 0.011 0.000 0.259 405 I C 1.687 177.836 176.117 0.052 0.000 1.194 405 I CA 1.409 62.726 61.300 0.028 0.000 1.473 405 I CB -0.066 37.950 38.000 0.026 0.000 1.096 405 I HN 0.076 nan 8.210 nan 0.000 0.443 406 I N 0.830 121.422 120.570 0.037 0.000 2.439 406 I HA -0.211 3.966 4.170 0.011 0.000 0.251 406 I C 2.354 178.517 176.117 0.076 0.000 1.139 406 I CA 1.196 62.531 61.300 0.059 0.000 1.438 406 I CB -0.226 37.783 38.000 0.016 0.000 1.085 406 I HN 0.295 nan 8.210 nan 0.000 0.427 407 L N -0.126 121.109 121.223 0.019 0.000 2.095 407 L HA -0.136 4.211 4.340 0.011 0.000 0.204 407 L C 2.459 179.317 176.870 -0.019 0.000 1.080 407 L CA 1.030 55.861 54.840 -0.016 0.000 0.759 407 L CB -0.350 41.674 42.059 -0.059 0.000 0.914 407 L HN 0.190 nan 8.230 nan 0.000 0.439 408 L N -1.358 119.855 121.223 -0.017 0.000 2.012 408 L HA -0.298 4.049 4.340 0.011 0.000 0.210 408 L C 2.641 179.535 176.870 0.040 0.000 1.073 408 L CA 1.560 56.389 54.840 -0.018 0.000 0.748 408 L CB -0.621 41.424 42.059 -0.023 0.000 0.891 408 L HN 0.250 nan 8.230 nan 0.000 0.431 409 Y N 0.659 120.929 120.300 -0.050 0.000 2.128 409 Y HA -0.276 4.281 4.550 0.011 0.000 0.284 409 Y C 2.378 178.221 175.900 -0.095 0.000 1.154 409 Y CA 1.610 59.644 58.100 -0.110 0.000 1.149 409 Y CB -0.230 38.151 38.460 -0.133 0.000 0.976 409 Y HN 0.022 nan 8.280 nan 0.000 0.505 410 I N -0.211 120.274 120.570 -0.141 0.000 2.179 410 I HA -0.341 3.836 4.170 0.011 0.000 0.242 410 I C 2.368 178.407 176.117 -0.131 0.000 1.088 410 I CA 1.735 62.921 61.300 -0.190 0.000 1.357 410 I CB -0.523 37.455 38.000 -0.037 0.000 1.051 410 I HN 0.243 nan 8.210 nan 0.000 0.409 411 I N 0.275 120.825 120.570 -0.034 0.000 2.151 411 I HA -0.418 3.759 4.170 0.011 0.000 0.243 411 I C 2.664 178.914 176.117 0.222 0.000 1.080 411 I CA 2.048 63.388 61.300 0.067 0.000 1.339 411 I CB -0.744 37.263 38.000 0.012 0.000 1.039 411 I HN 0.370 nan 8.210 nan 0.000 0.409 412 H N 1.435 120.510 119.070 0.009 0.000 2.290 412 H HA -0.173 4.389 4.556 0.011 0.000 0.298 412 H C 2.022 177.230 175.328 -0.199 0.000 1.087 412 H CA 1.358 57.384 56.048 -0.036 0.000 1.291 412 H CB 0.190 29.858 29.762 -0.158 0.000 1.369 412 H HN -0.006 nan 8.280 nan 0.000 0.492 413 K N 0.372 120.684 120.400 -0.147 0.000 2.442 413 K HA -0.035 4.292 4.320 0.011 0.000 0.198 413 K C 1.023 177.579 176.600 -0.074 0.000 1.044 413 K CA 0.844 57.000 56.287 -0.218 0.000 0.948 413 K CB -0.428 31.752 32.500 -0.535 0.000 0.762 413 K HN 0.700 nan 8.250 nan 0.000 0.472 414 G N 0.804 109.603 108.800 -0.001 0.000 2.246 414 G HA2 -0.170 3.797 3.960 0.011 0.000 0.273 414 G HA3 -0.170 3.797 3.960 0.011 0.000 0.273 414 G C 0.330 175.231 174.900 0.002 0.000 1.055 414 G CA 0.746 45.870 45.100 0.039 0.000 0.851 414 G HN 0.659 nan 8.290 nan 0.000 0.500 415 G N -1.945 106.839 108.800 -0.027 0.000 2.742 415 G HA2 0.355 4.321 3.960 0.011 0.000 0.686 415 G HA3 0.355 4.321 3.960 0.011 0.000 0.686 415 G C -0.805 174.069 174.900 -0.042 0.000 1.220 415 G CA -0.072 45.014 45.100 -0.023 0.000 0.783 415 G HN 1.303 nan 8.290 nan 0.000 0.646 416 I N 0.491 121.047 120.570 -0.023 0.000 3.239 416 I HA 0.817 4.994 4.170 0.011 0.000 0.314 416 I C 0.869 176.985 176.117 -0.003 0.000 1.126 416 I CA -0.303 60.991 61.300 -0.009 0.000 0.973 416 I CB 2.195 40.206 38.000 0.019 0.000 1.252 416 I HN 1.117 nan 8.210 nan 0.000 0.463 417 S N 1.545 117.246 115.700 0.001 0.000 2.646 417 S HA 0.362 4.839 4.470 0.011 0.000 0.276 417 S C 0.721 175.312 174.600 -0.015 0.000 1.222 417 S CA -0.480 57.718 58.200 -0.004 0.000 1.014 417 S CB 1.338 64.537 63.200 -0.001 0.000 0.991 417 S HN 0.577 nan 8.310 nan 0.000 0.533 418 E N 0.914 121.104 120.200 -0.017 0.000 2.097 418 E HA -0.241 4.116 4.350 0.011 0.000 0.196 418 E C 1.735 178.309 176.600 -0.042 0.000 1.000 418 E CA 1.793 58.175 56.400 -0.031 0.000 0.804 418 E CB -0.269 29.420 29.700 -0.018 0.000 0.740 418 E HN 0.880 nan 8.360 nan 0.000 0.454 419 E N 1.186 121.368 120.200 -0.030 0.000 2.049 419 E HA -0.198 4.159 4.350 0.011 0.000 0.198 419 E C 1.705 178.276 176.600 -0.049 0.000 1.007 419 E CA 1.943 58.323 56.400 -0.034 0.000 0.809 419 E CB -0.262 29.427 29.700 -0.019 0.000 0.749 419 E HN 0.171 nan 8.360 nan 0.000 0.450 420 N N -0.534 118.143 118.700 -0.039 0.000 2.270 420 N HA -0.017 4.730 4.740 0.011 0.000 0.181 420 N C 1.720 177.183 175.510 -0.077 0.000 1.016 420 N CA 0.740 53.760 53.050 -0.050 0.000 0.870 420 N CB -0.111 38.374 38.487 -0.004 0.000 0.979 420 N HN 0.134 nan 8.380 nan 0.000 0.431 421 L N 0.471 121.656 121.223 -0.063 0.000 2.012 421 L HA -0.207 4.140 4.340 0.011 0.000 0.210 421 L C 2.147 178.941 176.870 -0.127 0.000 1.073 421 L CA 1.297 56.086 54.840 -0.085 0.000 0.748 421 L CB -0.439 41.566 42.059 -0.090 0.000 0.891 421 L HN 0.212 nan 8.230 nan 0.000 0.431 422 A N -0.194 122.554 122.820 -0.121 0.000 1.892 422 A HA -0.259 4.068 4.320 0.011 0.000 0.218 422 A C 2.184 179.667 177.584 -0.168 0.000 1.188 422 A CA 1.896 53.854 52.037 -0.131 0.000 0.631 422 A CB -0.437 18.505 19.000 -0.097 0.000 0.822 422 A HN 0.324 nan 8.150 nan 0.000 0.447 423 K N -0.297 119.985 120.400 -0.196 0.000 2.148 423 K HA 0.018 4.345 4.320 0.011 0.000 0.204 423 K C 1.827 178.080 176.600 -0.579 0.000 1.050 423 K CA 1.039 57.120 56.287 -0.343 0.000 0.942 423 K CB -0.560 31.765 32.500 -0.290 0.000 0.724 423 K HN 0.617 nan 8.250 nan 0.000 0.446 424 L N 0.202 121.208 121.223 -0.362 0.000 2.131 424 L HA -0.065 4.282 4.340 0.011 0.000 0.206 424 L C 2.210 178.973 176.870 -0.179 0.000 1.087 424 L CA 0.400 55.065 54.840 -0.292 0.000 0.767 424 L CB -0.512 41.440 42.059 -0.179 0.000 0.917 424 L HN -0.191 nan 8.230 nan 0.000 0.441 425 V N -0.256 119.562 119.914 -0.159 0.000 2.720 425 V HA -0.256 3.870 4.120 0.011 0.000 0.256 425 V C 2.367 178.395 176.094 -0.110 0.000 1.082 425 V CA 1.468 63.699 62.300 -0.115 0.000 1.101 425 V CB -0.587 31.153 31.823 -0.140 0.000 0.693 425 V HN 0.491 nan 8.190 nan 0.000 0.479 426 Q N -0.589 119.119 119.800 -0.154 0.000 2.008 426 Q HA -0.111 4.235 4.340 0.011 0.000 0.196 426 Q C 2.246 178.219 176.000 -0.045 0.000 0.973 426 Q CA 1.552 57.265 55.803 -0.151 0.000 0.826 426 Q CB -0.215 28.459 28.738 -0.107 0.000 0.894 426 Q HN 0.749 nan 8.270 nan 0.000 0.439 427 H N -0.320 118.735 119.070 -0.025 0.000 2.457 427 H HA -0.095 4.468 4.556 0.011 0.000 0.297 427 H C 1.784 177.269 175.328 0.262 0.000 1.092 427 H CA 0.517 56.630 56.048 0.107 0.000 1.309 427 H CB 0.139 29.920 29.762 0.033 0.000 1.382 427 H HN 0.282 nan 8.280 nan 0.000 0.535 428 A N 0.107 123.099 122.820 0.286 0.000 2.081 428 A HA -0.030 4.297 4.320 0.011 0.000 0.214 428 A C -0.057 177.715 177.584 0.313 0.000 1.158 428 A CA 0.276 52.445 52.037 0.221 0.000 0.724 428 A CB -0.007 19.052 19.000 0.099 0.000 0.826 428 A HN 0.585 nan 8.150 nan 0.000 0.463 429 H N -1.433 117.649 119.070 0.020 0.000 2.827 429 H HA -0.109 4.453 4.556 0.011 0.000 0.330 429 H C -0.601 174.729 175.328 0.003 0.000 1.236 429 H CA 0.655 56.709 56.048 0.011 0.000 1.165 429 H CB -2.351 27.418 29.762 0.012 0.000 1.532 429 H HN 0.519 nan 8.280 nan 0.000 0.434 430 I N 1.172 121.785 120.570 0.072 0.000 2.342 430 I HA 0.259 4.436 4.170 0.011 0.000 0.291 430 I C -1.588 174.545 176.117 0.027 0.000 1.010 430 I CA -1.928 59.400 61.300 0.047 0.000 1.308 430 I CB 1.069 39.088 38.000 0.032 0.000 1.400 430 I HN -0.002 nan 8.210 nan 0.000 0.488 431 P HA -0.031 nan 4.420 nan 0.000 0.261 431 P C 0.474 177.802 177.300 0.047 0.000 1.183 431 P CA -0.005 63.118 63.100 0.039 0.000 0.761 431 P CB 0.784 32.508 31.700 0.040 0.000 0.785 432 A N 3.712 126.560 122.820 0.047 0.000 2.285 432 A HA -0.202 4.125 4.320 0.011 0.000 0.214 432 A C 1.492 179.185 177.584 0.181 0.000 1.188 432 A CA 1.407 53.481 52.037 0.062 0.000 0.707 432 A CB -0.809 18.241 19.000 0.084 0.000 0.771 432 A HN 0.639 nan 8.150 nan 0.000 0.488 433 E N -0.535 119.763 120.200 0.163 0.000 2.166 433 E HA -0.039 4.317 4.350 0.011 0.000 0.192 433 E C 1.275 178.005 176.600 0.217 0.000 0.967 433 E CA 0.691 57.216 56.400 0.208 0.000 0.840 433 E CB -0.015 29.764 29.700 0.131 0.000 0.795 433 E HN 0.539 nan 8.360 nan 0.000 0.470 434 E N 0.971 121.264 120.200 0.155 0.000 2.479 434 E HA -0.022 4.335 4.350 0.011 0.000 0.193 434 E C 1.540 178.205 176.600 0.107 0.000 1.049 434 E CA 0.174 56.676 56.400 0.170 0.000 0.870 434 E CB 0.279 30.087 29.700 0.179 0.000 0.944 434 E HN 0.057 nan 8.360 nan 0.000 0.492 435 K N 0.302 120.720 120.400 0.030 0.000 2.217 435 K HA -0.100 4.227 4.320 0.011 0.000 0.202 435 K C 1.134 177.578 176.600 -0.260 0.000 1.051 435 K CA 0.534 56.731 56.287 -0.149 0.000 0.952 435 K CB -0.082 32.256 32.500 -0.270 0.000 0.736 435 K HN 0.150 nan 8.250 nan 0.000 0.453 436 W N 0.994 122.317 121.300 0.037 0.000 2.678 436 W HA 0.131 4.799 4.660 0.013 0.000 0.256 436 W C 1.737 178.275 176.519 0.033 0.000 1.280 436 W CA -0.007 57.358 57.345 0.034 0.000 1.345 436 W CB -0.131 29.351 29.460 0.037 0.000 1.118 436 W HN -0.055 nan 8.180 nan 0.000 0.629 437 I N -0.007 120.670 120.570 0.177 0.000 2.335 437 I HA -0.334 3.843 4.170 0.011 0.000 0.251 437 I C 2.030 178.180 176.117 0.055 0.000 1.129 437 I CA 0.901 62.264 61.300 0.105 0.000 1.402 437 I CB -0.477 37.556 38.000 0.055 0.000 1.069 437 I HN -0.058 nan 8.210 nan 0.000 0.424 438 I N 0.815 121.396 120.570 0.018 0.000 2.086 438 I HA -0.254 3.923 4.170 0.011 0.000 0.233 438 I C 2.268 178.393 176.117 0.015 0.000 1.060 438 I CA 1.531 62.823 61.300 -0.013 0.000 1.326 438 I CB -1.722 36.243 38.000 -0.058 0.000 1.067 438 I HN 0.324 nan 8.210 nan 0.000 0.398 439 N N 1.320 120.027 118.700 0.011 0.000 2.111 439 N HA -0.248 4.499 4.740 0.011 0.000 0.197 439 N C 1.312 176.907 175.510 0.142 0.000 1.011 439 N CA 1.993 55.089 53.050 0.076 0.000 0.880 439 N CB -0.438 38.119 38.487 0.116 0.000 1.031 439 N HN 0.450 nan 8.380 nan 0.000 0.444 440 D N 0.945 121.454 120.400 0.181 0.000 2.178 440 D HA -0.126 4.521 4.640 0.011 0.000 0.201 440 D C 1.913 178.269 176.300 0.094 0.000 0.980 440 D CA 0.441 54.539 54.000 0.163 0.000 0.842 440 D CB -0.280 40.634 40.800 0.191 0.000 0.948 440 D HN 0.217 nan 8.370 nan 0.000 0.472 441 M N 0.967 120.596 119.600 0.049 0.000 2.192 441 M HA -0.264 4.222 4.480 0.011 0.000 0.259 441 M C 1.916 178.197 176.300 -0.031 0.000 1.071 441 M CA 1.537 56.825 55.300 -0.020 0.000 1.082 441 M CB -0.319 32.255 32.600 -0.043 0.000 1.373 441 M HN -0.088 nan 8.290 nan 0.000 0.408 442 Q N -0.254 119.559 119.800 0.022 0.000 2.308 442 Q HA -0.203 4.143 4.340 0.011 0.000 0.209 442 Q C 1.025 177.066 176.000 0.068 0.000 0.985 442 Q CA 1.623 57.452 55.803 0.043 0.000 0.881 442 Q CB -0.155 28.622 28.738 0.065 0.000 0.917 442 Q HN 0.661 nan 8.270 nan 0.000 0.443 443 N N -0.250 118.494 118.700 0.074 0.000 2.494 443 N HA -0.071 4.675 4.740 0.011 0.000 0.182 443 N C 0.787 176.413 175.510 0.194 0.000 1.076 443 N CA 0.589 53.725 53.050 0.143 0.000 0.908 443 N CB 0.168 38.759 38.487 0.174 0.000 0.967 443 N HN 0.228 nan 8.380 nan 0.000 0.449 444 L N -0.639 120.544 121.223 -0.065 0.000 2.592 444 L HA 0.272 4.619 4.340 0.011 0.000 0.227 444 L C 1.515 178.421 176.870 0.061 0.000 1.127 444 L CA 0.416 55.086 54.840 -0.282 0.000 0.884 444 L CB -0.227 41.377 42.059 -0.758 0.000 1.065 444 L HN 0.250 nan 8.230 nan 0.000 0.457 445 G N -1.361 107.535 108.800 0.160 0.000 2.179 445 G HA2 -0.213 3.754 3.960 0.011 0.000 0.220 445 G HA3 -0.213 3.754 3.960 0.011 0.000 0.220 445 G C 0.218 175.185 174.900 0.111 0.000 0.990 445 G CA -0.069 45.156 45.100 0.208 0.000 0.646 445 G HN 0.055 nan 8.290 nan 0.000 0.517 446 V N 1.620 121.556 119.914 0.037 0.000 2.686 446 V HA 0.442 4.568 4.120 0.011 0.000 0.295 446 V C -1.745 174.376 176.094 0.044 0.000 1.055 446 V CA -1.184 61.135 62.300 0.032 0.000 1.050 446 V CB 1.396 33.187 31.823 -0.053 0.000 0.984 446 V HN 0.120 nan 8.190 nan 0.000 0.482 447 P HA 0.341 nan 4.420 nan 0.000 0.286 447 P C 0.504 177.820 177.300 0.026 0.000 1.321 447 P CA -0.085 63.042 63.100 0.045 0.000 0.790 447 P CB 0.404 32.134 31.700 0.051 0.000 0.897 448 I N -0.079 120.501 120.570 0.018 0.000 4.338 448 I HA 0.309 4.486 4.170 0.011 0.000 0.315 448 I C 0.093 176.211 176.117 0.002 0.000 1.262 448 I CA 0.369 61.671 61.300 0.003 0.000 1.298 448 I CB 0.380 38.379 38.000 -0.001 0.000 1.257 448 I HN -0.004 nan 8.210 nan 0.000 0.444 449 I N 3.424 124.001 120.570 0.012 0.000 2.307 449 I HA 0.260 4.436 4.170 0.011 0.000 0.287 449 I C 0.945 177.069 176.117 0.012 0.000 1.054 449 I CA -0.114 61.192 61.300 0.010 0.000 1.218 449 I CB 0.636 38.648 38.000 0.020 0.000 1.398 449 I HN 0.365 nan 8.210 nan 0.000 0.475 450 Q N 5.281 125.083 119.800 0.005 0.000 1.618 450 Q HA -0.301 4.046 4.340 0.011 0.000 0.777 450 Q C 1.233 177.239 176.000 0.010 0.000 0.784 450 Q CA 2.602 58.408 55.803 0.005 0.000 0.908 450 Q CB 0.111 28.850 28.738 0.002 0.000 1.227 450 Q HN 0.643 nan 8.270 nan 0.000 0.634 451 D N -1.019 119.387 120.400 0.010 0.000 2.303 451 D HA -0.291 4.356 4.640 0.011 0.000 0.190 451 D C 1.464 177.773 176.300 0.016 0.000 1.011 451 D CA 2.352 56.359 54.000 0.012 0.000 0.860 451 D CB -0.818 39.989 40.800 0.011 0.000 0.961 451 D HN 0.802 nan 8.370 nan 0.000 0.453 452 G N -0.100 108.711 108.800 0.018 0.000 2.284 452 G HA2 -0.346 3.621 3.960 0.011 0.000 0.268 452 G HA3 -0.346 3.621 3.960 0.011 0.000 0.268 452 G C 1.243 176.155 174.900 0.020 0.000 0.980 452 G CA 1.336 46.449 45.100 0.022 0.000 0.631 452 G HN 1.108 nan 8.290 nan 0.000 0.548 453 G N -0.430 108.379 108.800 0.016 0.000 2.196 453 G HA2 -0.295 3.672 3.960 0.011 0.000 0.268 453 G HA3 -0.295 3.672 3.960 0.011 0.000 0.268 453 G C 0.811 175.720 174.900 0.014 0.000 0.975 453 G CA 2.092 47.201 45.100 0.014 0.000 0.648 453 G HN 1.634 nan 8.290 nan 0.000 0.538 454 R N -1.062 119.448 120.500 0.016 0.000 2.515 454 R HA 0.799 5.145 4.340 0.011 0.000 0.209 454 R C 0.361 176.671 176.300 0.016 0.000 1.255 454 R CA -0.907 55.202 56.100 0.016 0.000 1.006 454 R CB 0.368 30.680 30.300 0.019 0.000 1.839 454 R HN 0.091 nan 8.270 nan 0.000 0.514 455 R N 0.780 121.290 120.500 0.017 0.000 2.598 455 R HA 0.288 4.634 4.340 0.011 0.000 0.279 455 R C -0.340 175.972 176.300 0.021 0.000 0.984 455 R CA -1.059 55.051 56.100 0.017 0.000 0.999 455 R CB 0.496 30.806 30.300 0.017 0.000 1.114 455 R HN 0.402 nan 8.270 nan 0.000 0.493 456 K N 2.166 122.578 120.400 0.019 0.000 2.447 456 K HA 0.086 4.413 4.320 0.011 0.000 0.281 456 K C 0.066 176.680 176.600 0.024 0.000 1.031 456 K CA 0.033 56.331 56.287 0.020 0.000 1.019 456 K CB 0.363 32.872 32.500 0.015 0.000 0.918 456 K HN 0.376 nan 8.250 nan 0.000 0.476 457 I N 7.181 127.768 120.570 0.028 0.000 2.352 457 I HA 0.163 4.340 4.170 0.011 0.000 0.290 457 I C -1.655 174.469 176.117 0.011 0.000 1.036 457 I CA -2.688 58.633 61.300 0.035 0.000 1.336 457 I CB 0.579 38.612 38.000 0.054 0.000 1.407 457 I HN 0.326 nan 8.210 nan 0.000 0.497 458 P HA 0.173 nan 4.420 nan 0.000 0.271 458 P C -1.094 176.113 177.300 -0.154 0.000 1.216 458 P CA -0.362 62.696 63.100 -0.069 0.000 0.776 458 P CB 0.757 32.420 31.700 -0.062 0.000 0.881 459 Q N 3.347 122.967 119.800 -0.301 0.000 2.788 459 Q HA 0.223 4.569 4.340 0.011 0.000 0.261 459 Q C -1.992 173.422 176.000 -0.977 0.000 1.029 459 Q CA -1.634 53.719 55.803 -0.750 0.000 0.848 459 Q CB 1.256 29.657 28.738 -0.562 0.000 1.185 459 Q HN 0.341 nan 8.270 nan 0.000 0.482 460 P HA -0.230 nan 4.420 nan 0.000 0.216 460 P C 0.639 177.298 177.300 -1.068 0.000 1.150 460 P CA 1.358 64.021 63.100 -0.729 0.000 0.843 460 P CB -0.059 31.372 31.700 -0.448 0.000 0.787 461 Y N -3.280 116.503 120.300 -0.862 0.000 2.680 461 Y HA 0.024 4.581 4.550 0.011 0.000 0.303 461 Y C 1.005 176.709 175.900 -0.327 0.000 1.166 461 Y CA -0.140 57.497 58.100 -0.772 0.000 1.344 461 Y CB -2.007 36.196 38.460 -0.427 0.000 1.002 461 Y HN 0.050 nan 8.280 nan 0.000 0.537 462 H N 1.673 120.476 119.070 -0.446 0.000 2.652 462 H HA 0.058 4.621 4.556 0.012 0.000 0.349 462 H C 1.579 176.745 175.328 -0.270 0.000 1.099 462 H CA 0.524 56.428 56.048 -0.240 0.000 1.417 462 H CB 1.734 31.207 29.762 -0.481 0.000 1.457 462 H HN 0.394 nan 8.280 nan 0.000 0.568 463 T N 0.101 114.733 114.554 0.130 0.000 2.759 463 T HA -0.224 4.133 4.350 0.011 0.000 0.269 463 T C 1.560 176.262 174.700 0.003 0.000 1.042 463 T CA 1.665 63.794 62.100 0.048 0.000 1.140 463 T CB -0.348 68.597 68.868 0.128 0.000 0.864 463 T HN 0.805 nan 8.240 nan 0.000 0.455 464 H N 0.779 119.846 119.070 -0.004 0.000 2.559 464 H HA 0.188 4.751 4.556 0.011 0.000 0.273 464 H C 0.998 176.302 175.328 -0.040 0.000 1.000 464 H CA 1.008 57.036 56.048 -0.034 0.000 1.195 464 H CB -0.730 28.990 29.762 -0.070 0.000 1.368 464 H HN 0.579 nan 8.280 nan 0.000 0.592 465 N N -0.087 118.383 118.700 -0.383 0.000 2.197 465 N HA 0.126 4.872 4.740 0.011 0.000 0.201 465 N C -0.045 175.365 175.510 -0.167 0.000 1.148 465 N CA -0.309 52.570 53.050 -0.286 0.000 0.883 465 N CB 0.786 39.020 38.487 -0.422 0.000 1.012 465 N HN 0.174 nan 8.380 nan 0.000 0.507 466 R N 1.445 121.870 120.500 -0.126 0.000 2.758 466 R HA 0.269 4.616 4.340 0.011 0.000 0.265 466 R C -0.052 176.242 176.300 -0.009 0.000 1.016 466 R CA -0.850 55.228 56.100 -0.037 0.000 1.040 466 R CB 1.097 31.383 30.300 -0.022 0.000 1.152 466 R HN 0.069 nan 8.270 nan 0.000 0.503 467 K N 1.170 121.577 120.400 0.012 0.000 2.494 467 K HA -0.068 4.259 4.320 0.011 0.000 0.273 467 K C -0.293 176.305 176.600 -0.004 0.000 0.970 467 K CA 0.045 56.334 56.287 0.003 0.000 0.963 467 K CB 0.619 33.118 32.500 -0.002 0.000 0.913 467 K HN 0.631 nan 8.250 nan 0.000 0.502 468 E N 2.066 122.265 120.200 -0.001 0.000 2.373 468 E HA 0.036 4.392 4.350 0.011 0.000 0.267 468 E C -0.822 175.775 176.600 -0.005 0.000 1.032 468 E CA -0.384 56.017 56.400 0.001 0.000 0.889 468 E CB 0.724 30.426 29.700 0.003 0.000 0.984 468 E HN 0.511 nan 8.360 nan 0.000 0.425 469 R N 2.444 122.945 120.500 0.002 0.000 2.807 469 R HA 0.139 4.485 4.340 0.011 0.000 0.276 469 R C -0.633 175.667 176.300 -0.001 0.000 0.979 469 R CA -1.035 55.066 56.100 0.000 0.000 0.928 469 R CB 1.562 31.866 30.300 0.005 0.000 1.191 469 R HN 0.627 nan 8.270 nan 0.000 0.471 470 Q N 1.646 121.432 119.800 -0.023 0.000 2.300 470 Q HA 0.045 4.392 4.340 0.011 0.000 0.280 470 Q C -0.219 175.700 176.000 -0.136 0.000 1.033 470 Q CA 0.471 56.237 55.803 -0.061 0.000 0.903 470 Q CB 1.417 30.115 28.738 -0.066 0.000 1.195 470 Q HN 0.815 nan 8.270 nan 0.000 0.386 471 A N 4.247 126.968 122.820 -0.166 0.000 2.265 471 A HA 0.008 4.335 4.320 0.011 0.000 0.213 471 A C -0.213 177.036 177.584 -0.558 0.000 1.255 471 A CA 0.003 51.853 52.037 -0.311 0.000 0.862 471 A CB 0.001 18.933 19.000 -0.113 0.000 0.852 471 A HN 0.707 nan 8.150 nan 0.000 0.484 472 D N 1.209 121.333 120.400 -0.461 0.000 2.443 472 D HA 0.226 4.873 4.640 0.011 0.000 0.221 472 D C -0.797 175.292 176.300 -0.351 0.000 1.097 472 D CA 0.016 53.810 54.000 -0.345 0.000 0.865 472 D CB 0.393 41.092 40.800 -0.168 0.000 1.034 472 D HN 0.364 nan 8.370 nan 0.000 0.511 473 H N 1.077 120.147 119.070 -0.001 0.000 2.504 473 H HA 0.090 4.653 4.556 0.011 0.000 0.322 473 H C 1.454 176.753 175.328 -0.048 0.000 1.055 473 H CA -0.269 55.789 56.048 0.017 0.000 1.231 473 H CB 1.683 31.485 29.762 0.068 0.000 1.417 473 H HN 0.242 nan 8.280 nan 0.000 0.472 474 T N 2.037 116.584 114.554 -0.011 0.000 3.098 474 T HA -0.066 4.291 4.350 0.011 0.000 0.266 474 T C -0.143 174.193 174.700 -0.607 0.000 1.145 474 T CA 0.946 62.866 62.100 -0.301 0.000 1.092 474 T CB -0.270 68.377 68.868 -0.368 0.000 0.908 474 T HN 0.395 nan 8.240 nan 0.000 0.526 475 Y N 0.171 120.492 120.300 0.034 0.000 2.433 475 Y HA 0.444 5.000 4.550 0.011 0.000 0.337 475 Y C 0.987 176.944 175.900 0.095 0.000 1.026 475 Y CA -1.226 56.881 58.100 0.012 0.000 1.037 475 Y CB 1.799 40.213 38.460 -0.078 0.000 1.245 475 Y HN -0.153 nan 8.280 nan 0.000 0.443 476 Q N 1.506 121.445 119.800 0.232 0.000 2.167 476 Q HA -0.075 4.272 4.340 0.011 0.000 0.202 476 Q C 1.081 177.186 176.000 0.175 0.000 0.970 476 Q CA 1.153 57.067 55.803 0.185 0.000 0.855 476 Q CB 0.100 28.926 28.738 0.147 0.000 0.911 476 Q HN 0.695 nan 8.270 nan 0.000 0.438 477 M N -0.527 119.204 119.600 0.218 0.000 2.561 477 M HA 0.082 4.569 4.480 0.011 0.000 0.238 477 M C 0.233 176.651 176.300 0.198 0.000 1.131 477 M CA 0.538 55.956 55.300 0.197 0.000 1.046 477 M CB 0.413 33.154 32.600 0.234 0.000 1.532 477 M HN -0.185 nan 8.290 nan 0.000 0.497 478 S N 0.302 116.136 115.700 0.224 0.000 2.062 478 S HA 0.411 4.887 4.470 0.011 0.000 0.163 478 S C 0.964 175.636 174.600 0.119 0.000 1.612 478 S CA -0.514 57.816 58.200 0.216 0.000 1.251 478 S CB 0.723 64.115 63.200 0.321 0.000 1.174 478 S HN 0.360 nan 8.310 nan 0.000 0.428 479 R N 0.214 120.703 120.500 -0.019 0.000 2.225 479 R HA 0.148 4.495 4.340 0.011 0.000 0.194 479 R C 0.595 176.813 176.300 -0.136 0.000 0.957 479 R CA -0.078 55.775 56.100 -0.412 0.000 1.042 479 R CB 0.341 30.257 30.300 -0.640 0.000 1.004 479 R HN 0.588 nan 8.270 nan 0.000 0.509 480 W N 3.038 124.283 121.300 -0.093 0.000 2.253 480 W HA 0.106 4.772 4.660 0.011 0.000 0.322 480 W C -1.210 175.317 176.519 0.014 0.000 1.342 480 W CA 0.739 58.072 57.345 -0.021 0.000 1.218 480 W CB 0.847 30.308 29.460 0.002 0.000 1.205 480 W HN -0.156 nan 8.180 nan 0.000 0.551 481 T N 8.398 122.472 114.554 -0.800 0.000 2.792 481 T HA 0.265 4.622 4.350 0.011 0.000 0.280 481 T C -2.437 171.660 174.700 -1.006 0.000 0.990 481 T CA -1.262 60.469 62.100 -0.615 0.000 0.960 481 T CB 1.693 70.348 68.868 -0.354 0.000 0.939 481 T HN 0.167 nan 8.240 nan 0.000 0.439 482 P HA 0.017 nan 4.420 nan 0.000 0.264 482 P C 0.072 177.317 177.300 -0.092 0.000 1.193 482 P CA -0.191 62.864 63.100 -0.074 0.000 0.763 482 P CB 0.315 32.062 31.700 0.079 0.000 0.810 483 Y N 4.390 124.641 120.300 -0.082 0.000 2.403 483 Y HA -0.202 4.354 4.550 0.011 0.000 0.291 483 Y C 1.992 177.964 175.900 0.120 0.000 1.143 483 Y CA 1.452 59.546 58.100 -0.010 0.000 1.257 483 Y CB -0.593 37.923 38.460 0.094 0.000 0.984 483 Y HN 0.253 nan 8.280 nan 0.000 0.550 484 M N 0.875 120.525 119.600 0.082 0.000 2.080 484 M HA -0.210 4.277 4.480 0.011 0.000 0.260 484 M C 2.283 178.470 176.300 -0.189 0.000 1.068 484 M CA 2.209 57.514 55.300 0.008 0.000 1.109 484 M CB -0.600 32.065 32.600 0.108 0.000 1.342 484 M HN 0.172 nan 8.290 nan 0.000 0.405 485 K N -0.463 119.848 120.400 -0.148 0.000 2.063 485 K HA -0.222 4.104 4.320 0.011 0.000 0.208 485 K C 1.484 177.960 176.600 -0.207 0.000 1.048 485 K CA 2.167 58.354 56.287 -0.167 0.000 0.928 485 K CB -0.293 32.129 32.500 -0.131 0.000 0.713 485 K HN 0.399 nan 8.250 nan 0.000 0.442 486 D N 0.660 120.928 120.400 -0.220 0.000 2.104 486 D HA -0.180 4.467 4.640 0.011 0.000 0.194 486 D C 1.832 177.946 176.300 -0.309 0.000 0.994 486 D CA 1.184 55.056 54.000 -0.214 0.000 0.830 486 D CB -0.077 40.644 40.800 -0.133 0.000 0.959 486 D HN 0.174 nan 8.370 nan 0.000 0.452 487 I N 0.260 120.549 120.570 -0.469 0.000 2.163 487 I HA -0.268 3.909 4.170 0.011 0.000 0.243 487 I C 2.385 178.251 176.117 -0.419 0.000 1.085 487 I CA 1.173 62.153 61.300 -0.533 0.000 1.347 487 I CB -0.844 36.765 38.000 -0.652 0.000 1.044 487 I HN 0.143 nan 8.210 nan 0.000 0.408 488 M N 0.323 119.712 119.600 -0.351 0.000 2.065 488 M HA -0.241 4.246 4.480 0.011 0.000 0.259 488 M C 2.223 178.334 176.300 -0.314 0.000 1.069 488 M CA 1.970 57.083 55.300 -0.312 0.000 1.110 488 M CB -0.448 32.004 32.600 -0.247 0.000 1.328 488 M HN 0.189 nan 8.290 nan 0.000 0.405 489 E N 0.053 120.098 120.200 -0.258 0.000 2.110 489 E HA -0.161 4.195 4.350 0.011 0.000 0.193 489 E C 2.029 178.483 176.600 -0.244 0.000 0.988 489 E CA 1.225 57.488 56.400 -0.229 0.000 0.804 489 E CB -0.209 29.393 29.700 -0.164 0.000 0.745 489 E HN 0.527 nan 8.360 nan 0.000 0.458 490 A N 1.461 124.137 122.820 -0.240 0.000 1.898 490 A HA -0.058 4.269 4.320 0.011 0.000 0.216 490 A C 2.386 179.816 177.584 -0.257 0.000 1.181 490 A CA 1.555 53.467 52.037 -0.210 0.000 0.620 490 A CB -0.625 18.265 19.000 -0.183 0.000 0.819 490 A HN 0.287 nan 8.150 nan 0.000 0.442 491 A N -0.619 121.997 122.820 -0.341 0.000 1.877 491 A HA -0.017 4.310 4.320 0.011 0.000 0.216 491 A C 2.138 179.363 177.584 -0.597 0.000 1.186 491 A CA 1.692 53.495 52.037 -0.390 0.000 0.620 491 A CB -1.035 17.718 19.000 -0.411 0.000 0.822 491 A HN 0.424 nan 8.150 nan 0.000 0.443 492 V N 0.330 119.776 119.914 -0.780 0.000 2.828 492 V HA -0.209 3.918 4.120 0.011 0.000 0.260 492 V C 1.785 177.405 176.094 -0.791 0.000 1.101 492 V CA 2.138 63.666 62.300 -1.285 0.000 1.123 492 V CB -0.750 30.525 31.823 -0.913 0.000 0.704 492 V HN 0.652 nan 8.190 nan 0.000 0.493 493 E N -1.381 118.582 120.200 -0.395 0.000 2.501 493 E HA 0.110 4.467 4.350 0.011 0.000 0.201 493 E C 0.252 176.801 176.600 -0.086 0.000 1.016 493 E CA 0.162 56.461 56.400 -0.168 0.000 0.920 493 E CB 0.354 29.980 29.700 -0.123 0.000 1.023 493 E HN 0.537 nan 8.360 nan 0.000 0.474 494 D N 0.728 121.059 120.400 -0.115 0.000 3.041 494 D HA -0.163 4.484 4.640 0.011 0.000 0.220 494 D C -0.121 176.171 176.300 -0.013 0.000 1.157 494 D CA 0.847 54.838 54.000 -0.015 0.000 0.876 494 D CB -0.462 40.378 40.800 0.067 0.000 1.107 494 D HN 0.063 nan 8.370 nan 0.000 0.422 495 K N 0.006 120.371 120.400 -0.057 0.000 2.832 495 K HA 0.251 4.578 4.320 0.011 0.000 0.211 495 K C -0.406 176.169 176.600 -0.041 0.000 1.112 495 K CA -0.608 55.659 56.287 -0.033 0.000 1.108 495 K CB 0.713 33.190 32.500 -0.039 0.000 0.899 495 K HN 0.096 nan 8.250 nan 0.000 0.464 496 L N 1.837 123.028 121.223 -0.052 0.000 2.257 496 L HA 0.188 4.535 4.340 0.011 0.000 0.290 496 L C -0.167 176.731 176.870 0.047 0.000 1.044 496 L CA -0.261 54.541 54.840 -0.065 0.000 0.810 496 L CB 0.700 42.647 42.059 -0.186 0.000 1.193 496 L HN 0.097 nan 8.230 nan 0.000 0.425 497 D N 2.859 123.341 120.400 0.137 0.000 2.479 497 D HA -0.095 4.551 4.640 0.011 0.000 0.257 497 D C 1.125 177.513 176.300 0.147 0.000 1.230 497 D CA 0.729 54.828 54.000 0.166 0.000 0.912 497 D CB 1.130 42.075 40.800 0.241 0.000 1.130 497 D HN 0.788 nan 8.370 nan 0.000 0.515 498 T N 1.454 116.045 114.554 0.061 0.000 3.035 498 T HA -0.143 4.214 4.350 0.011 0.000 0.268 498 T C 1.785 176.432 174.700 -0.088 0.000 1.109 498 T CA 0.466 62.573 62.100 0.011 0.000 1.119 498 T CB 0.087 69.003 68.868 0.081 0.000 0.900 498 T HN 0.377 nan 8.240 nan 0.000 0.503 499 R N -0.008 120.408 120.500 -0.139 0.000 2.189 499 R HA -0.075 4.272 4.340 0.011 0.000 0.223 499 R C 1.682 177.665 176.300 -0.529 0.000 1.092 499 R CA 1.148 57.058 56.100 -0.316 0.000 0.989 499 R CB -0.060 30.016 30.300 -0.375 0.000 0.876 499 R HN 0.557 nan 8.270 nan 0.000 0.457 500 H N -2.626 116.314 119.070 -0.216 0.000 3.255 500 H HA 0.098 4.661 4.556 0.011 0.000 0.256 500 H C -0.336 174.437 175.328 -0.927 0.000 1.049 500 H CA 0.266 56.014 56.048 -0.500 0.000 1.202 500 H CB 0.807 30.257 29.762 -0.520 0.000 1.497 500 H HN 0.097 nan 8.280 nan 0.000 0.503 501 Y N 1.950 122.191 120.300 -0.099 0.000 2.473 501 Y HA 0.259 4.815 4.550 0.011 0.000 0.345 501 Y C -2.349 173.313 175.900 -0.396 0.000 0.932 501 Y CA -2.511 55.441 58.100 -0.247 0.000 1.124 501 Y CB 0.848 39.188 38.460 -0.199 0.000 1.162 501 Y HN 0.052 nan 8.280 nan 0.000 0.629 502 P HA 0.005 nan 4.420 nan 0.000 0.272 502 P C -0.487 176.575 177.300 -0.397 0.000 1.254 502 P CA 0.177 63.084 63.100 -0.321 0.000 0.795 502 P CB 1.107 32.622 31.700 -0.309 0.000 1.022 503 F N -0.466 119.447 119.950 -0.062 0.000 2.422 503 F HA 0.119 4.653 4.527 0.011 0.000 0.333 503 F C 1.527 177.391 175.800 0.107 0.000 1.095 503 F CA -0.703 57.314 58.000 0.028 0.000 1.038 503 F CB 0.815 39.830 39.000 0.026 0.000 1.156 503 F HN 0.035 nan 8.300 nan 0.000 0.483 504 L N 0.040 121.479 121.223 0.360 0.000 2.551 504 L HA 0.063 4.410 4.340 0.011 0.000 0.228 504 L C 0.931 177.931 176.870 0.217 0.000 1.153 504 L CA 1.079 56.121 54.840 0.337 0.000 0.851 504 L CB -1.305 40.908 42.059 0.257 0.000 0.959 504 L HN 0.526 nan 8.230 nan 0.000 0.451 505 N N 0.304 119.132 118.700 0.213 0.000 2.250 505 N HA 0.263 5.010 4.740 0.011 0.000 0.190 505 N C 0.731 176.298 175.510 0.095 0.000 1.116 505 N CA 0.906 54.030 53.050 0.123 0.000 0.881 505 N CB 0.999 39.533 38.487 0.077 0.000 1.006 505 N HN 0.496 nan 8.380 nan 0.000 0.491 506 G N -0.281 108.612 108.800 0.156 0.000 2.733 506 G HA2 0.171 4.137 3.960 0.011 0.000 0.686 506 G HA3 0.171 4.137 3.960 0.011 0.000 0.686 506 G C 0.505 175.386 174.900 -0.031 0.000 1.373 506 G CA -0.282 44.880 45.100 0.104 0.000 0.838 506 G HN 0.623 nan 8.290 nan 0.000 0.588 507 G N 0.203 108.986 108.800 -0.029 0.000 2.779 507 G HA2 0.407 4.374 3.960 0.011 0.000 0.284 507 G HA3 0.407 4.374 3.960 0.011 0.000 0.284 507 G C 1.545 176.187 174.900 -0.430 0.000 1.326 507 G CA 2.122 47.132 45.100 -0.151 0.000 0.983 507 G HN 3.350 nan 8.290 nan 0.000 0.555 535 S N -2.490 113.191 115.700 -0.031 0.000 2.663 535 S HA 0.642 5.119 4.470 0.011 0.000 0.264 535 S C 0.105 174.657 174.600 -0.080 0.000 1.112 535 S CA -0.592 57.573 58.200 -0.058 0.000 0.823 535 S CB 1.025 64.183 63.200 -0.069 0.000 1.111 535 S HN 0.116 nan 8.310 nan 0.000 0.476 536 G N -0.090 108.626 108.800 -0.140 0.000 3.410 536 G HA2 0.757 4.724 3.960 0.011 0.000 0.189 536 G HA3 0.757 4.724 3.960 0.011 0.000 0.189 536 G C -3.081 171.604 174.900 -0.359 0.000 1.404 536 G CA -1.504 43.474 45.100 -0.204 0.000 0.898 536 G HN 0.647 nan 8.290 nan 0.000 0.650 537 P HA 0.333 nan 4.420 nan 0.000 0.272 537 P C -0.692 176.283 177.300 -0.542 0.000 1.230 537 P CA 0.038 62.624 63.100 -0.857 0.000 0.788 537 P CB 0.627 31.321 31.700 -1.678 0.000 0.949 538 R N 1.128 121.499 120.500 -0.215 0.000 2.514 538 R HA 0.571 4.918 4.340 0.011 0.000 0.301 538 R C -0.944 175.538 176.300 0.303 0.000 0.962 538 R CA -0.960 55.194 56.100 0.090 0.000 0.882 538 R CB 1.003 31.321 30.300 0.029 0.000 1.143 538 R HN 0.319 nan 8.270 nan 0.000 0.452 539 L N 4.848 126.287 121.223 0.360 0.000 2.283 539 L HA 0.382 4.729 4.340 0.011 0.000 0.281 539 L C -1.093 175.839 176.870 0.103 0.000 1.033 539 L CA -0.473 54.514 54.840 0.244 0.000 0.848 539 L CB 0.863 42.977 42.059 0.093 0.000 1.226 539 L HN 0.494 nan 8.230 nan 0.000 0.429 540 I N 6.482 127.111 120.570 0.098 0.000 2.312 540 I HA 0.297 4.473 4.170 0.011 0.000 0.291 540 I C 0.130 176.294 176.117 0.079 0.000 1.031 540 I CA -0.231 61.132 61.300 0.105 0.000 1.293 540 I CB 0.570 38.638 38.000 0.113 0.000 1.403 540 I HN 0.494 nan 8.210 nan 0.000 0.484 541 I N 6.806 127.397 120.570 0.035 0.000 2.378 541 I HA 0.349 4.526 4.170 0.011 0.000 0.291 541 I C -0.705 175.415 176.117 0.005 0.000 0.992 541 I CA -0.637 60.642 61.300 -0.034 0.000 1.154 541 I CB 1.846 39.745 38.000 -0.167 0.000 1.315 541 I HN 0.347 nan 8.210 nan 0.000 0.448 542 F N 7.308 127.209 119.950 -0.082 0.000 2.507 542 F HA 0.652 5.186 4.527 0.011 0.000 0.325 542 F C -1.001 174.714 175.800 -0.140 0.000 1.116 542 F CA -0.657 57.289 58.000 -0.089 0.000 0.930 542 F CB 1.477 40.533 39.000 0.093 0.000 1.146 542 F HN 0.029 nan 8.300 nan 0.000 0.447 543 V N 7.136 126.401 119.914 -1.083 0.000 2.378 543 V HA 0.313 4.440 4.120 0.011 0.000 0.288 543 V C -0.590 174.887 176.094 -1.029 0.000 1.016 543 V CA -1.007 60.827 62.300 -0.778 0.000 0.840 543 V CB 1.359 32.899 31.823 -0.473 0.000 0.994 543 V HN 0.677 nan 8.190 nan 0.000 0.431 544 V N 5.009 124.496 119.914 -0.711 0.000 2.372 544 V HA 0.782 4.909 4.120 0.011 0.000 0.261 544 V C 0.904 176.744 176.094 -0.423 0.000 1.055 544 V CA 1.211 63.144 62.300 -0.611 0.000 0.930 544 V CB 0.197 31.459 31.823 -0.934 0.000 1.031 544 V HN 1.372 nan 8.190 nan 0.000 0.479 545 G N 3.207 111.898 108.800 -0.182 0.000 2.276 545 G HA2 0.407 4.373 3.960 0.011 0.000 0.177 545 G HA3 0.407 4.373 3.960 0.011 0.000 0.177 545 G C 1.076 175.961 174.900 -0.024 0.000 1.017 545 G CA 0.135 45.329 45.100 0.156 0.000 0.750 545 G HN 2.546 nan 8.290 nan 0.000 0.506 546 G N -0.539 107.998 108.800 -0.439 0.000 2.712 546 G HA2 0.364 4.331 3.960 0.011 0.000 0.683 546 G HA3 0.364 4.331 3.960 0.011 0.000 0.683 546 G C -0.284 174.344 174.900 -0.453 0.000 1.320 546 G CA -0.048 44.600 45.100 -0.754 0.000 0.847 546 G HN 1.879 nan 8.290 nan 0.000 0.553 547 I N -2.700 117.611 120.570 -0.431 0.000 2.827 547 I HA 0.817 4.994 4.170 0.011 0.000 0.298 547 I C 0.222 176.144 176.117 -0.326 0.000 1.235 547 I CA -0.586 60.525 61.300 -0.316 0.000 1.021 547 I CB 2.137 39.946 38.000 -0.319 0.000 1.259 547 I HN 1.223 nan 8.210 nan 0.000 0.427 548 S N 2.595 118.151 115.700 -0.241 0.000 2.707 548 S HA 0.445 4.922 4.470 0.011 0.000 0.276 548 S C 0.442 174.885 174.600 -0.262 0.000 1.179 548 S CA -0.389 57.668 58.200 -0.239 0.000 0.992 548 S CB 0.881 64.024 63.200 -0.096 0.000 1.030 548 S HN 0.648 nan 8.310 nan 0.000 0.554 549 Y N 0.833 121.122 120.300 -0.017 0.000 2.439 549 Y HA -0.004 4.553 4.550 0.012 0.000 0.292 549 Y C 2.997 178.911 175.900 0.025 0.000 1.130 549 Y CA 1.152 59.252 58.100 0.000 0.000 1.254 549 Y CB -0.524 37.922 38.460 -0.024 0.000 1.000 549 Y HN 0.844 nan 8.280 nan 0.000 0.554 550 S N -0.696 115.087 115.700 0.137 0.000 2.461 550 S HA -0.113 4.364 4.470 0.011 0.000 0.228 550 S C 1.525 176.160 174.600 0.058 0.000 1.005 550 S CA 1.011 59.277 58.200 0.110 0.000 0.942 550 S CB -0.198 63.081 63.200 0.132 0.000 0.776 550 S HN 0.545 nan 8.310 nan 0.000 0.514 551 E N 0.897 121.108 120.200 0.018 0.000 2.140 551 E HA 0.135 4.491 4.350 0.011 0.000 0.191 551 E C 2.023 178.588 176.600 -0.058 0.000 0.973 551 E CA 0.774 57.161 56.400 -0.022 0.000 0.829 551 E CB -0.253 29.425 29.700 -0.036 0.000 0.781 551 E HN 0.508 nan 8.360 nan 0.000 0.466 552 M N 0.594 120.171 119.600 -0.037 0.000 2.159 552 M HA -0.142 4.345 4.480 0.011 0.000 0.263 552 M C 2.447 178.787 176.300 0.067 0.000 1.063 552 M CA 1.258 56.556 55.300 -0.004 0.000 1.110 552 M CB -0.134 32.528 32.600 0.102 0.000 1.374 552 M HN -0.034 nan 8.290 nan 0.000 0.411 553 R N -0.219 120.320 120.500 0.067 0.000 2.115 553 R HA -0.080 4.267 4.340 0.011 0.000 0.230 553 R C 1.854 178.087 176.300 -0.112 0.000 1.111 553 R CA 1.501 57.547 56.100 -0.090 0.000 0.976 553 R CB 0.007 30.278 30.300 -0.048 0.000 0.870 553 R HN 0.251 nan 8.270 nan 0.000 0.445 554 S N 0.298 115.952 115.700 -0.076 0.000 2.428 554 S HA -0.004 4.473 4.470 0.011 0.000 0.230 554 S C 1.838 176.362 174.600 -0.127 0.000 1.014 554 S CA 0.778 58.924 58.200 -0.090 0.000 0.957 554 S CB 0.205 63.357 63.200 -0.080 0.000 0.784 554 S HN 0.508 nan 8.310 nan 0.000 0.499 555 A N 0.689 123.394 122.820 -0.192 0.000 1.898 555 A HA -0.064 4.263 4.320 0.011 0.000 0.216 555 A C 1.819 179.236 177.584 -0.279 0.000 1.181 555 A CA 1.253 53.124 52.037 -0.276 0.000 0.620 555 A CB -0.803 17.961 19.000 -0.393 0.000 0.819 555 A HN 0.522 nan 8.150 nan 0.000 0.442 556 Y N -0.125 120.100 120.300 -0.125 0.000 2.163 556 Y HA -0.116 4.441 4.550 0.011 0.000 0.288 556 Y C 2.437 178.280 175.900 -0.096 0.000 1.136 556 Y CA 1.447 59.485 58.100 -0.103 0.000 1.147 556 Y CB -0.652 37.705 38.460 -0.171 0.000 0.987 556 Y HN 0.383 nan 8.280 nan 0.000 0.509 557 E N -0.012 120.201 120.200 0.022 0.000 2.035 557 E HA -0.232 4.125 4.350 0.011 0.000 0.204 557 E C 2.265 178.854 176.600 -0.018 0.000 1.025 557 E CA 2.227 58.621 56.400 -0.010 0.000 0.835 557 E CB -0.464 29.211 29.700 -0.041 0.000 0.764 557 E HN 0.148 nan 8.360 nan 0.000 0.457 558 V N 0.880 120.762 119.914 -0.054 0.000 2.380 558 V HA -0.308 3.819 4.120 0.011 0.000 0.251 558 V C 2.260 178.333 176.094 -0.036 0.000 1.063 558 V CA 2.243 64.503 62.300 -0.067 0.000 1.055 558 V CB -0.756 30.999 31.823 -0.114 0.000 0.657 558 V HN 0.387 nan 8.190 nan 0.000 0.455 559 T N 0.373 114.918 114.554 -0.016 0.000 2.770 559 T HA -0.181 4.176 4.350 0.011 0.000 0.263 559 T C 1.514 176.244 174.700 0.050 0.000 1.039 559 T CA 1.405 63.522 62.100 0.027 0.000 1.142 559 T CB -0.307 68.581 68.868 0.032 0.000 0.868 559 T HN 0.786 nan 8.240 nan 0.000 0.435 560 Q N 1.060 120.895 119.800 0.058 0.000 2.362 560 Q HA 0.153 4.499 4.340 0.011 0.000 0.215 560 Q C 1.017 177.040 176.000 0.039 0.000 0.944 560 Q CA 0.631 56.470 55.803 0.059 0.000 0.964 560 Q CB -0.068 28.714 28.738 0.073 0.000 0.998 560 Q HN 0.409 nan 8.270 nan 0.000 0.488 561 T N -1.864 112.708 114.554 0.030 0.000 3.797 561 T HA 0.100 4.456 4.350 0.011 0.000 0.246 561 T C 0.609 175.317 174.700 0.014 0.000 0.833 561 T CA 0.536 62.647 62.100 0.019 0.000 1.120 561 T CB -1.004 67.869 68.868 0.009 0.000 0.984 561 T HN 0.261 nan 8.240 nan 0.000 0.381 562 A N 2.490 125.307 122.820 -0.005 0.000 2.208 562 A HA 0.276 4.603 4.320 0.011 0.000 0.202 562 A C 0.682 178.269 177.584 0.006 0.000 1.327 562 A CA 0.446 52.470 52.037 -0.022 0.000 0.930 562 A CB -1.073 17.887 19.000 -0.066 0.000 0.757 562 A HN 0.631 nan 8.150 nan 0.000 0.507 563 K N -0.794 119.633 120.400 0.046 0.000 2.393 563 K HA 0.076 4.403 4.320 0.011 0.000 0.264 563 K C 0.835 177.517 176.600 0.138 0.000 0.979 563 K CA 1.231 57.579 56.287 0.101 0.000 0.893 563 K CB 0.088 32.637 32.500 0.082 0.000 0.967 563 K HN 0.419 nan 8.250 nan 0.000 0.521 564 N N -0.459 118.370 118.700 0.214 0.000 1.973 564 N HA -0.036 4.711 4.740 0.011 0.000 0.219 564 N C -0.680 174.928 175.510 0.164 0.000 1.447 564 N CA 0.428 53.618 53.050 0.233 0.000 0.825 564 N CB -0.101 38.633 38.487 0.412 0.000 1.096 564 N HN 0.641 nan 8.380 nan 0.000 0.595 565 N N -1.445 117.334 118.700 0.132 0.000 2.959 565 N HA -0.136 4.611 4.740 0.011 0.000 0.191 565 N C -1.329 174.206 175.510 0.042 0.000 0.968 565 N CA 0.738 53.809 53.050 0.035 0.000 1.041 565 N CB -1.341 37.114 38.487 -0.053 0.000 0.997 565 N HN 0.346 nan 8.380 nan 0.000 0.559 566 W N 2.332 123.627 121.300 -0.007 0.000 2.193 566 W HA 0.255 4.921 4.660 0.010 0.000 0.338 566 W C 0.990 177.499 176.519 -0.016 0.000 1.310 566 W CA 0.519 57.856 57.345 -0.013 0.000 1.243 566 W CB 0.337 29.784 29.460 -0.022 0.000 1.165 566 W HN 0.099 nan 8.180 nan 0.000 0.566 567 E N 2.221 122.576 120.200 0.258 0.000 2.218 567 E HA 0.399 4.756 4.350 0.011 0.000 0.263 567 E C -1.663 175.021 176.600 0.141 0.000 0.879 567 E CA -0.617 55.870 56.400 0.144 0.000 0.762 567 E CB 1.239 30.986 29.700 0.079 0.000 1.166 567 E HN 0.195 nan 8.360 nan 0.000 0.415 568 V N 6.246 126.198 119.914 0.063 0.000 2.368 568 V HA 0.274 4.401 4.120 0.011 0.000 0.266 568 V C -0.153 175.909 176.094 -0.053 0.000 1.045 568 V CA -0.403 61.897 62.300 0.000 0.000 0.899 568 V CB 0.509 32.285 31.823 -0.077 0.000 1.006 568 V HN 0.619 nan 8.190 nan 0.000 0.470 569 I N 6.167 126.736 120.570 -0.003 0.000 2.354 569 I HA 0.419 4.596 4.170 0.011 0.000 0.292 569 I C -0.392 175.722 176.117 -0.005 0.000 0.989 569 I CA -0.229 61.080 61.300 0.016 0.000 1.188 569 I CB 1.611 39.679 38.000 0.113 0.000 1.342 569 I HN 0.431 nan 8.210 nan 0.000 0.457 570 L N 6.813 127.973 121.223 -0.105 0.000 2.305 570 L HA 0.893 5.240 4.340 0.011 0.000 0.284 570 L C -0.045 176.542 176.870 -0.472 0.000 1.013 570 L CA 0.157 54.861 54.840 -0.225 0.000 0.819 570 L CB 1.170 43.083 42.059 -0.244 0.000 1.227 570 L HN 0.624 nan 8.230 nan 0.000 0.417 571 G N 2.035 110.355 108.800 -0.800 0.000 2.519 571 G HA2 0.704 4.670 3.960 0.011 0.000 0.307 571 G HA3 0.704 4.670 3.960 0.011 0.000 0.307 571 G C -1.608 172.761 174.900 -0.885 0.000 1.266 571 G CA -0.414 43.698 45.100 -1.646 0.000 0.970 571 G HN 0.654 nan 8.290 nan 0.000 0.481 572 S N -1.579 113.712 115.700 -0.682 0.000 2.638 572 S HA 0.573 5.050 4.470 0.011 0.000 0.274 572 S C 1.566 176.067 174.600 -0.164 0.000 1.157 572 S CA 0.387 58.119 58.200 -0.780 0.000 0.826 572 S CB 1.128 63.952 63.200 -0.626 0.000 1.139 572 S HN 1.148 nan 8.310 nan 0.000 0.474 573 T N 0.434 114.901 114.554 -0.146 0.000 2.684 573 T HA -0.011 4.346 4.350 0.011 0.000 0.267 573 T C 0.636 175.469 174.700 0.222 0.000 1.036 573 T CA 1.951 64.203 62.100 0.254 0.000 1.148 573 T CB -0.869 68.165 68.868 0.277 0.000 0.863 573 T HN 0.983 nan 8.240 nan 0.000 0.436 574 H N -1.665 117.371 119.070 -0.057 0.000 3.017 574 H HA 0.632 5.196 4.556 0.012 0.000 0.346 574 H C -1.315 173.920 175.328 -0.156 0.000 1.286 574 H CA -1.596 54.405 56.048 -0.079 0.000 1.120 574 H CB 0.662 30.399 29.762 -0.042 0.000 1.860 574 H HN -0.063 nan 8.280 nan 0.000 0.542 575 I N 2.728 123.189 120.570 -0.181 0.000 2.352 575 I HA 0.132 4.309 4.170 0.011 0.000 0.290 575 I C 0.368 176.353 176.117 -0.219 0.000 1.036 575 I CA -0.146 60.975 61.300 -0.298 0.000 1.336 575 I CB 0.214 38.016 38.000 -0.331 0.000 1.407 575 I HN 0.553 nan 8.210 nan 0.000 0.497 576 L N 5.231 126.263 121.223 -0.318 0.000 2.479 576 L HA 0.495 4.842 4.340 0.011 0.000 0.249 576 L C 0.580 177.397 176.870 -0.087 0.000 1.178 576 L CA -0.030 54.698 54.840 -0.186 0.000 0.811 576 L CB 1.213 43.138 42.059 -0.223 0.000 1.187 576 L HN 0.584 nan 8.230 nan 0.000 0.480 577 T N -0.271 114.274 114.554 -0.015 0.000 2.942 577 T HA 0.270 4.627 4.350 0.011 0.000 0.327 577 T C -2.198 172.485 174.700 -0.028 0.000 1.360 577 T CA -0.953 61.185 62.100 0.063 0.000 1.055 577 T CB 2.007 70.963 68.868 0.146 0.000 1.261 577 T HN 0.223 nan 8.240 nan 0.000 0.485 578 P HA -0.122 nan 4.420 nan 0.000 0.211 578 P C 1.285 178.494 177.300 -0.152 0.000 1.181 578 P CA 1.415 64.433 63.100 -0.136 0.000 0.929 578 P CB 0.227 31.802 31.700 -0.208 0.000 0.789 579 E N -0.903 119.226 120.200 -0.118 0.000 2.097 579 E HA -0.178 4.179 4.350 0.011 0.000 0.196 579 E C 2.286 178.779 176.600 -0.177 0.000 1.000 579 E CA 1.412 57.717 56.400 -0.158 0.000 0.804 579 E CB -0.996 28.725 29.700 0.035 0.000 0.740 579 E HN 0.273 nan 8.360 nan 0.000 0.454 580 G N 1.467 110.220 108.800 -0.078 0.000 2.440 580 G HA2 -0.279 3.688 3.960 0.011 0.000 0.218 580 G HA3 -0.279 3.688 3.960 0.011 0.000 0.218 580 G C 1.559 176.371 174.900 -0.146 0.000 1.154 580 G CA 0.827 45.884 45.100 -0.073 0.000 0.767 580 G HN 0.185 nan 8.290 nan 0.000 0.552 581 L N -0.053 121.078 121.223 -0.152 0.000 2.046 581 L HA 0.053 4.399 4.340 0.011 0.000 0.208 581 L C 2.537 179.259 176.870 -0.246 0.000 1.077 581 L CA 1.346 56.073 54.840 -0.188 0.000 0.747 581 L CB -0.482 41.492 42.059 -0.141 0.000 0.896 581 L HN 0.109 nan 8.230 nan 0.000 0.432 582 L N -0.321 120.736 121.223 -0.277 0.000 2.042 582 L HA -0.186 4.160 4.340 0.011 0.000 0.210 582 L C 2.744 179.439 176.870 -0.292 0.000 1.076 582 L CA 1.668 56.301 54.840 -0.344 0.000 0.749 582 L CB -0.942 40.730 42.059 -0.644 0.000 0.893 582 L HN 0.279 nan 8.230 nan 0.000 0.432 583 R N -0.613 119.727 120.500 -0.267 0.000 2.073 583 R HA -0.150 4.197 4.340 0.011 0.000 0.234 583 R C 1.949 178.129 176.300 -0.199 0.000 1.134 583 R CA 1.465 57.473 56.100 -0.153 0.000 0.952 583 R CB -0.531 29.713 30.300 -0.093 0.000 0.850 583 R HN 0.419 nan 8.270 nan 0.000 0.433 584 D N 0.763 120.949 120.400 -0.358 0.000 2.116 584 D HA -0.180 4.467 4.640 0.011 0.000 0.193 584 D C 1.897 177.937 176.300 -0.433 0.000 0.998 584 D CA 1.023 54.624 54.000 -0.664 0.000 0.836 584 D CB -0.056 39.920 40.800 -1.373 0.000 0.951 584 D HN 0.080 nan 8.370 nan 0.000 0.449 585 L N 0.760 121.839 121.223 -0.239 0.000 2.191 585 L HA -0.138 4.209 4.340 0.011 0.000 0.212 585 L C 2.431 179.341 176.870 0.066 0.000 1.103 585 L CA 0.940 55.807 54.840 0.045 0.000 0.769 585 L CB -0.888 41.181 42.059 0.016 0.000 0.908 585 L HN 0.003 nan 8.230 nan 0.000 0.438 586 R N 1.323 121.824 120.500 0.003 0.000 2.070 586 R HA -0.159 4.187 4.340 0.011 0.000 0.232 586 R C 2.045 178.388 176.300 0.073 0.000 1.138 586 R CA 1.573 57.707 56.100 0.057 0.000 0.936 586 R CB -0.283 30.045 30.300 0.047 0.000 0.839 586 R HN 0.205 nan 8.270 nan 0.000 0.429 587 K N 0.357 120.783 120.400 0.043 0.000 2.589 587 K HA -0.120 4.207 4.320 0.011 0.000 0.195 587 K C 1.753 178.410 176.600 0.096 0.000 1.040 587 K CA 1.136 57.457 56.287 0.057 0.000 0.950 587 K CB -0.444 32.075 32.500 0.032 0.000 0.781 587 K HN 0.408 nan 8.250 nan 0.000 0.486 588 I N -2.140 118.512 120.570 0.135 0.000 2.296 588 I HA -0.064 4.113 4.170 0.011 0.000 0.242 588 I C 1.381 177.542 176.117 0.073 0.000 1.087 588 I CA 1.386 62.773 61.300 0.146 0.000 1.393 588 I CB 0.169 38.296 38.000 0.212 0.000 1.093 588 I HN -0.234 nan 8.210 nan 0.000 0.421 589 S N 1.723 117.460 115.700 0.062 0.000 2.552 589 S HA 0.317 4.794 4.470 0.011 0.000 0.246 589 S C 0.243 174.815 174.600 -0.047 0.000 1.019 589 S CA -0.167 58.009 58.200 -0.040 0.000 1.045 589 S CB -1.204 61.963 63.200 -0.055 0.000 0.784 589 S HN 0.642 nan 8.310 nan 0.000 0.453 590 N N 1.576 120.277 118.700 0.002 0.000 3.660 590 N HA 0.019 4.766 4.740 0.011 0.000 0.128 590 N C -3.085 172.441 175.510 0.026 0.000 1.022 590 N CA -0.512 52.544 53.050 0.010 0.000 2.474 590 N CB 0.301 38.814 38.487 0.044 0.000 1.518 590 N HN 0.123 nan 8.380 nan 0.000 0.750 591 P HA 0.000 nan 4.420 nan 0.000 0.216 591 P CA 0.000 63.117 63.100 0.028 0.000 0.800 591 P CB 0.000 31.714 31.700 0.023 0.000 0.726