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 1zi7_1_A DATA FIRST_RESID 30 DATA SEQUENCE PPFILSPISL TEFSQYWAEH PELFLEPSFI NDDNYKEHCL IDPEVESPEL DATA SEQUENCE ARMLAVTKWF ISTLKSQYCS RNESLGSEKK PLNPFLGELF VGKWENKEHP DATA SEQUENCE EFGETVLLSE QVSHHPPVTA FSIFNDKNKV KLQGYNQIKA SFTKSLMLTV DATA SEQUENCE KQFGHTMLDI KDESYLVTPP PLHIEGILVA SPFVELEGKS YIQSSTGLLC DATA SEQUENCE VIEFSGXXXV DGKKNSFKAR IYKDSKDSKD KEKALYTISG QWSGSSKIIK DATA SEQUENCE ANKKEESRLF YDAARIPAEH LNVKPLEEQH PLESRKAWYD VAGAIKLGDF DATA SEQUENCE NLIAKTKTEL EETQRELRKE EEAKGISWQR RWFKDFDYSV TPEEGALVPE DATA SEQUENCE KDDTFLKLAS ALNLSTKNAP SGTLVGDKED RKEDLSSIHW RFQRELWDEE DATA SEQUENCE KEIVL 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 30 P HA 0.000 nan 4.420 nan 0.000 0.216 30 P C 0.000 177.361 177.300 0.101 0.000 1.155 30 P CA 0.000 63.142 63.100 0.070 0.000 0.800 30 P CB 0.000 31.734 31.700 0.057 0.000 0.726 31 P HA 0.610 nan 4.420 nan 0.000 0.297 31 P C -0.122 177.422 177.300 0.406 0.000 1.307 31 P CA -0.188 63.069 63.100 0.262 0.000 0.773 31 P CB 0.671 32.593 31.700 0.371 0.000 1.265 32 F N -2.688 117.266 119.950 0.006 0.000 1.648 32 F HA -0.256 4.271 4.527 -0.001 0.000 0.180 32 F C 0.603 176.405 175.800 0.004 0.000 0.131 32 F CA 0.162 58.165 58.000 0.004 0.000 0.545 32 F CB -1.280 37.723 39.000 0.005 0.000 2.304 32 F HN 0.151 nan 8.300 nan 0.000 0.565 33 I N 2.817 123.519 120.570 0.219 0.000 2.297 33 I HA 0.145 4.315 4.170 -0.001 0.000 0.291 33 I C -0.162 176.020 176.117 0.109 0.000 1.033 33 I CA -0.822 60.549 61.300 0.117 0.000 1.253 33 I CB 1.020 39.063 38.000 0.072 0.000 1.396 33 I HN 0.276 nan 8.210 nan 0.000 0.476 34 L N 5.844 127.114 121.223 0.078 0.000 2.578 34 L HA 0.004 4.343 4.340 -0.001 0.000 0.279 34 L C 0.145 177.035 176.870 0.034 0.000 1.227 34 L CA 1.166 56.035 54.840 0.048 0.000 0.900 34 L CB 0.550 42.631 42.059 0.036 0.000 1.144 34 L HN 0.603 nan 8.230 nan 0.000 0.496 35 S N 6.642 122.355 115.700 0.022 0.000 2.399 35 S HA 0.335 4.804 4.470 -0.001 0.000 0.215 35 S C -2.383 172.214 174.600 -0.004 0.000 1.456 35 S CA -0.905 57.303 58.200 0.013 0.000 1.199 35 S CB 1.336 64.545 63.200 0.015 0.000 1.063 35 S HN 0.454 nan 8.310 nan 0.000 0.476 36 P HA 0.363 nan 4.420 nan 0.000 0.276 36 P C -0.772 176.489 177.300 -0.066 0.000 1.243 36 P CA -0.126 62.946 63.100 -0.047 0.000 0.768 36 P CB 0.542 32.217 31.700 -0.042 0.000 0.856 37 I N 1.130 121.642 120.570 -0.098 0.000 2.569 37 I HA 0.177 4.347 4.170 -0.001 0.000 0.290 37 I C 0.499 176.490 176.117 -0.210 0.000 1.088 37 I CA -0.949 60.282 61.300 -0.113 0.000 1.047 37 I CB 2.281 40.265 38.000 -0.027 0.000 1.237 37 I HN 0.222 nan 8.210 nan 0.000 0.421 38 S N 4.745 120.243 115.700 -0.336 0.000 2.549 38 S HA 0.247 4.716 4.470 -0.001 0.000 0.283 38 S C 1.182 175.616 174.600 -0.277 0.000 1.320 38 S CA -0.318 57.613 58.200 -0.450 0.000 1.058 38 S CB 0.557 63.505 63.200 -0.420 0.000 0.882 38 S HN 0.602 nan 8.310 nan 0.000 0.498 39 L N 3.898 124.915 121.223 -0.343 0.000 2.349 39 L HA -0.106 4.234 4.340 -0.001 0.000 0.220 39 L C 2.754 179.508 176.870 -0.193 0.000 1.130 39 L CA 1.551 56.155 54.840 -0.393 0.000 0.791 39 L CB -0.970 40.813 42.059 -0.461 0.000 0.918 39 L HN 0.938 nan 8.230 nan 0.000 0.444 40 T N -4.022 110.420 114.554 -0.187 0.000 2.929 40 T HA -0.187 4.162 4.350 -0.001 0.000 0.271 40 T C 1.497 176.090 174.700 -0.179 0.000 1.085 40 T CA 1.037 63.063 62.100 -0.123 0.000 1.125 40 T CB -0.166 68.656 68.868 -0.078 0.000 0.874 40 T HN 0.425 nan 8.240 nan 0.000 0.494 41 E N -0.097 119.872 120.200 -0.383 0.000 2.285 41 E HA 0.071 4.420 4.350 -0.001 0.000 0.194 41 E C 1.275 177.590 176.600 -0.475 0.000 0.997 41 E CA 0.323 56.298 56.400 -0.708 0.000 0.845 41 E CB -0.198 28.936 29.700 -0.943 0.000 0.782 41 E HN 0.515 nan 8.360 nan 0.000 0.491 42 F N 1.133 120.762 119.950 -0.536 0.000 2.494 42 F HA -0.134 4.392 4.527 -0.001 0.000 0.298 42 F C 2.341 177.824 175.800 -0.528 0.000 1.106 42 F CA 0.675 58.312 58.000 -0.604 0.000 1.452 42 F CB -0.292 38.548 39.000 -0.267 0.000 1.085 42 F HN -0.093 nan 8.300 nan 0.000 0.569 43 S N -0.222 115.348 115.700 -0.217 0.000 2.399 43 S HA -0.252 4.217 4.470 -0.001 0.000 0.231 43 S C 2.106 176.639 174.600 -0.111 0.000 1.022 43 S CA 1.263 59.311 58.200 -0.253 0.000 0.983 43 S CB -0.500 62.623 63.200 -0.128 0.000 0.803 43 S HN 0.657 nan 8.310 nan 0.000 0.480 44 Q N 0.035 119.733 119.800 -0.169 0.000 2.291 44 Q HA -0.142 4.198 4.340 -0.001 0.000 0.206 44 Q C 0.887 176.938 176.000 0.085 0.000 0.976 44 Q CA 1.275 57.099 55.803 0.034 0.000 0.875 44 Q CB -0.560 28.152 28.738 -0.042 0.000 0.927 44 Q HN 0.562 nan 8.270 nan 0.000 0.450 45 Y N -1.119 119.152 120.300 -0.048 0.000 2.632 45 Y HA -0.029 4.521 4.550 -0.000 0.000 0.301 45 Y C 0.748 176.505 175.900 -0.238 0.000 1.172 45 Y CA -0.236 57.748 58.100 -0.194 0.000 1.328 45 Y CB -0.567 37.654 38.460 -0.398 0.000 1.016 45 Y HN 0.222 nan 8.280 nan 0.000 0.529 46 W N -0.799 120.476 121.300 -0.041 0.000 3.047 46 W HA 0.321 4.981 4.660 -0.000 0.000 0.250 46 W C 1.427 177.999 176.519 0.089 0.000 1.314 46 W CA 0.958 58.304 57.345 0.001 0.000 1.540 46 W CB 0.294 29.787 29.460 0.054 0.000 1.127 46 W HN -0.070 nan 8.180 nan 0.000 0.679 47 A N -1.092 121.753 122.820 0.042 0.000 2.569 47 A HA 0.163 4.483 4.320 -0.001 0.000 0.284 47 A C 1.115 178.366 177.584 -0.556 0.000 0.948 47 A CA -0.345 51.451 52.037 -0.401 0.000 1.007 47 A CB -0.331 17.939 19.000 -1.216 0.000 1.232 47 A HN 0.150 nan 8.150 nan 0.000 0.530 48 E N -0.018 120.117 120.200 -0.108 0.000 2.219 48 E HA -0.197 4.153 4.350 -0.001 0.000 0.198 48 E C -0.231 176.212 176.600 -0.262 0.000 0.998 48 E CA 1.025 57.401 56.400 -0.040 0.000 0.818 48 E CB -0.101 29.622 29.700 0.037 0.000 0.741 48 E HN 0.799 nan 8.360 nan 0.000 0.477 49 H N -0.705 118.305 119.070 -0.101 0.000 2.628 49 H HA 0.126 4.682 4.556 -0.001 0.000 0.250 49 H C -1.892 173.358 175.328 -0.130 0.000 1.442 49 H CA -1.973 54.043 56.048 -0.053 0.000 1.282 49 H CB 1.038 30.821 29.762 0.035 0.000 1.487 49 H HN 0.089 nan 8.280 nan 0.000 0.544 50 P HA -0.341 nan 4.420 nan 0.000 0.219 50 P C 1.775 178.913 177.300 -0.271 0.000 1.158 50 P CA 1.689 64.614 63.100 -0.292 0.000 0.895 50 P CB 0.435 32.022 31.700 -0.188 0.000 0.792 51 E N 0.077 120.173 120.200 -0.173 0.000 2.110 51 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 51 E C 2.006 178.551 176.600 -0.092 0.000 0.988 51 E CA 1.333 57.603 56.400 -0.218 0.000 0.804 51 E CB -1.297 28.425 29.700 0.037 0.000 0.745 51 E HN 0.272 nan 8.360 nan 0.000 0.458 52 L N -0.328 120.921 121.223 0.044 0.000 2.109 52 L HA -0.064 4.275 4.340 -0.001 0.000 0.207 52 L C 2.697 179.618 176.870 0.085 0.000 1.086 52 L CA 1.136 56.037 54.840 0.103 0.000 0.760 52 L CB -0.566 41.594 42.059 0.170 0.000 0.910 52 L HN 0.038 nan 8.230 nan 0.000 0.437 53 F N 1.039 120.918 119.950 -0.119 0.000 2.134 53 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 53 F C 2.020 177.548 175.800 -0.452 0.000 1.097 53 F CA 1.568 59.313 58.000 -0.425 0.000 1.264 53 F CB -0.110 38.684 39.000 -0.343 0.000 1.001 53 F HN -0.103 nan 8.300 nan 0.000 0.479 54 L N -0.608 120.359 121.223 -0.428 0.000 2.477 54 L HA 0.021 4.360 4.340 -0.001 0.000 0.220 54 L C 2.134 178.839 176.870 -0.274 0.000 1.106 54 L CA 0.462 55.002 54.840 -0.499 0.000 0.851 54 L CB -0.616 41.185 42.059 -0.431 0.000 0.994 54 L HN 0.042 nan 8.230 nan 0.000 0.462 55 E N 1.637 121.778 120.200 -0.099 0.000 2.108 55 E HA -0.221 4.129 4.350 -0.001 0.000 0.203 55 E C -0.619 175.956 176.600 -0.041 0.000 1.022 55 E CA 2.072 58.512 56.400 0.067 0.000 0.823 55 E CB -1.167 28.551 29.700 0.029 0.000 0.744 55 E HN 0.223 nan 8.360 nan 0.000 0.456 56 P HA -0.175 nan 4.420 nan 0.000 0.217 56 P C 1.328 178.505 177.300 -0.205 0.000 1.148 56 P CA 2.260 65.251 63.100 -0.182 0.000 0.834 56 P CB -0.257 31.278 31.700 -0.274 0.000 0.783 57 S N -2.470 113.020 115.700 -0.350 0.000 2.522 57 S HA -0.027 4.442 4.470 -0.001 0.000 0.227 57 S C 1.185 175.517 174.600 -0.448 0.000 0.986 57 S CA 0.535 58.476 58.200 -0.432 0.000 0.929 57 S CB -1.251 61.584 63.200 -0.608 0.000 0.769 57 S HN 0.012 nan 8.310 nan 0.000 0.529 58 F N 1.417 121.257 119.950 -0.182 0.000 2.664 58 F HA 0.522 5.049 4.527 -0.001 0.000 0.303 58 F C 0.356 175.954 175.800 -0.337 0.000 1.092 58 F CA -0.837 57.028 58.000 -0.225 0.000 1.305 58 F CB 0.072 38.913 39.000 -0.264 0.000 1.054 58 F HN 0.140 nan 8.300 nan 0.000 0.565 59 I N 1.903 122.422 120.570 -0.085 0.000 2.330 59 I HA 0.211 4.380 4.170 -0.001 0.000 0.286 59 I C -0.566 175.589 176.117 0.063 0.000 1.025 59 I CA -0.588 60.703 61.300 -0.015 0.000 1.197 59 I CB 0.408 38.423 38.000 0.024 0.000 1.358 59 I HN 0.095 nan 8.210 nan 0.000 0.467 60 N N 3.308 122.085 118.700 0.129 0.000 2.815 60 N HA 0.311 5.050 4.740 -0.001 0.000 0.315 60 N C 0.232 175.872 175.510 0.217 0.000 1.320 60 N CA -0.823 52.302 53.050 0.124 0.000 0.846 60 N CB 0.610 39.156 38.487 0.099 0.000 1.344 60 N HN 0.197 nan 8.380 nan 0.000 0.593 61 D N -0.816 119.688 120.400 0.173 0.000 2.263 61 D HA -0.108 4.532 4.640 -0.001 0.000 0.208 61 D C -0.089 176.402 176.300 0.319 0.000 0.971 61 D CA 1.135 55.285 54.000 0.250 0.000 0.867 61 D CB -0.127 40.752 40.800 0.132 0.000 0.929 61 D HN 0.543 nan 8.370 nan 0.000 0.492 62 D N 0.141 120.664 120.400 0.204 0.000 2.349 62 D HA -0.019 4.621 4.640 -0.001 0.000 0.214 62 D C 0.931 177.290 176.300 0.098 0.000 1.063 62 D CA 0.264 54.343 54.000 0.131 0.000 0.847 62 D CB 0.203 41.060 40.800 0.095 0.000 0.933 62 D HN 0.378 nan 8.370 nan 0.000 0.513 63 N N -0.733 118.060 118.700 0.154 0.000 1.986 63 N HA -0.115 4.624 4.740 -0.001 0.000 0.227 63 N C 1.355 176.966 175.510 0.169 0.000 1.387 63 N CA -0.365 52.764 53.050 0.130 0.000 0.810 63 N CB -0.866 37.766 38.487 0.242 0.000 1.140 63 N HN 0.134 nan 8.380 nan 0.000 0.504 64 Y N 1.843 122.239 120.300 0.160 0.000 2.241 64 Y HA -0.045 4.504 4.550 -0.001 0.000 0.286 64 Y C 1.404 177.382 175.900 0.131 0.000 1.166 64 Y CA 1.300 59.493 58.100 0.156 0.000 1.203 64 Y CB -0.387 38.138 38.460 0.108 0.000 0.977 64 Y HN -0.026 nan 8.280 nan 0.000 0.529 65 K N 0.603 120.733 120.400 -0.450 0.000 2.288 65 K HA -0.086 4.233 4.320 -0.001 0.000 0.201 65 K C 1.539 178.080 176.600 -0.098 0.000 1.048 65 K CA 1.509 57.634 56.287 -0.270 0.000 0.956 65 K CB -0.163 32.093 32.500 -0.407 0.000 0.746 65 K HN 0.585 nan 8.250 nan 0.000 0.461 66 E N 0.286 120.420 120.200 -0.110 0.000 2.170 66 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 66 E C 0.732 177.233 176.600 -0.165 0.000 0.981 66 E CA 0.472 56.782 56.400 -0.151 0.000 0.830 66 E CB 0.103 29.667 29.700 -0.227 0.000 0.775 66 E HN 0.308 nan 8.360 nan 0.000 0.470 67 H N -0.212 118.881 119.070 0.038 0.000 2.794 67 H HA 0.219 4.774 4.556 -0.001 0.000 0.256 67 H C -0.688 174.686 175.328 0.077 0.000 1.637 67 H CA 0.101 56.187 56.048 0.064 0.000 1.222 67 H CB -0.090 29.731 29.762 0.098 0.000 1.545 67 H HN 0.052 nan 8.280 nan 0.000 0.518 68 C N 2.122 121.498 119.300 0.127 0.000 3.079 68 C HA 0.127 4.586 4.460 -0.001 0.000 0.246 68 C C 1.720 176.758 174.990 0.080 0.000 1.025 68 C CA -0.599 58.490 59.018 0.118 0.000 1.081 68 C CB -1.424 26.405 27.740 0.150 0.000 1.757 68 C HN 0.644 nan 8.230 nan 0.000 0.646 69 L N 1.730 122.989 121.223 0.061 0.000 1.991 69 L HA -0.207 4.132 4.340 -0.001 0.000 0.221 69 L C 2.379 179.289 176.870 0.067 0.000 1.079 69 L CA 2.337 57.205 54.840 0.047 0.000 0.778 69 L CB -0.347 41.733 42.059 0.033 0.000 0.893 69 L HN 0.768 nan 8.230 nan 0.000 0.437 70 I N -2.659 117.965 120.570 0.090 0.000 3.164 70 I HA -0.019 4.151 4.170 -0.001 0.000 0.278 70 I C 0.031 176.227 176.117 0.131 0.000 1.320 70 I CA 0.807 62.181 61.300 0.124 0.000 1.422 70 I CB -0.523 37.597 38.000 0.200 0.000 1.066 70 I HN 0.213 nan 8.210 nan 0.000 0.503 71 D N -0.433 120.039 120.400 0.120 0.000 2.484 71 D HA 0.196 4.836 4.640 -0.001 0.000 0.223 71 D C -2.381 173.994 176.300 0.126 0.000 1.350 71 D CA -1.016 53.073 54.000 0.149 0.000 0.940 71 D CB 0.898 41.841 40.800 0.239 0.000 1.525 71 D HN -0.170 nan 8.370 nan 0.000 0.504 72 P HA -0.002 nan 4.420 nan 0.000 0.231 72 P C -0.085 177.250 177.300 0.057 0.000 1.158 72 P CA 0.844 63.975 63.100 0.052 0.000 0.763 72 P CB 0.282 31.998 31.700 0.027 0.000 0.805 73 E N -0.686 119.572 120.200 0.096 0.000 3.105 73 E HA 0.158 4.508 4.350 -0.001 0.000 0.219 73 E C -0.591 176.110 176.600 0.169 0.000 1.064 73 E CA -0.425 56.037 56.400 0.104 0.000 1.342 73 E CB 0.550 30.298 29.700 0.079 0.000 1.295 73 E HN -0.062 nan 8.360 nan 0.000 0.438 74 V N 1.762 121.813 119.914 0.229 0.000 2.508 74 V HA -0.035 4.085 4.120 -0.001 0.000 0.281 74 V C 1.502 177.790 176.094 0.324 0.000 1.041 74 V CA 0.304 62.785 62.300 0.301 0.000 1.016 74 V CB 1.291 33.303 31.823 0.314 0.000 0.984 74 V HN 0.374 nan 8.190 nan 0.000 0.478 75 E N 5.314 125.648 120.200 0.224 0.000 2.068 75 E HA -0.150 4.200 4.350 -0.001 0.000 0.207 75 E C 0.801 177.469 176.600 0.112 0.000 1.032 75 E CA 2.016 58.511 56.400 0.159 0.000 0.839 75 E CB -0.056 29.698 29.700 0.090 0.000 0.758 75 E HN 0.980 nan 8.360 nan 0.000 0.457 76 S N -2.718 112.963 115.700 -0.032 0.000 2.661 76 S HA 0.444 4.913 4.470 -0.001 0.000 0.285 76 S C -2.236 171.992 174.600 -0.620 0.000 1.138 76 S CA -0.823 57.141 58.200 -0.393 0.000 0.855 76 S CB 2.025 65.103 63.200 -0.203 0.000 1.136 76 S HN -0.013 nan 8.310 nan 0.000 0.484 77 P HA -0.028 nan 4.420 nan 0.000 0.219 77 P C 0.746 177.959 177.300 -0.145 0.000 1.150 77 P CA 1.247 64.052 63.100 -0.492 0.000 0.814 77 P CB 0.017 31.496 31.700 -0.369 0.000 0.787 78 E N -0.102 120.023 120.200 -0.124 0.000 2.110 78 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 78 E C 1.970 178.594 176.600 0.040 0.000 0.988 78 E CA 0.685 57.074 56.400 -0.018 0.000 0.804 78 E CB -1.164 28.519 29.700 -0.027 0.000 0.745 78 E HN 0.154 nan 8.360 nan 0.000 0.458 79 L N -0.042 121.196 121.223 0.024 0.000 2.131 79 L HA 0.090 4.430 4.340 -0.001 0.000 0.206 79 L C 1.969 178.894 176.870 0.093 0.000 1.087 79 L CA 1.574 56.468 54.840 0.092 0.000 0.767 79 L CB -0.660 41.479 42.059 0.133 0.000 0.917 79 L HN 0.106 nan 8.230 nan 0.000 0.441 80 A N -0.689 122.185 122.820 0.089 0.000 1.930 80 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 80 A C 2.419 180.058 177.584 0.091 0.000 1.175 80 A CA 1.373 53.482 52.037 0.121 0.000 0.627 80 A CB -0.446 18.681 19.000 0.211 0.000 0.815 80 A HN 0.428 nan 8.150 nan 0.000 0.443 81 R N -1.769 118.779 120.500 0.080 0.000 2.090 81 R HA -0.078 4.262 4.340 -0.001 0.000 0.228 81 R C 2.127 178.460 176.300 0.055 0.000 1.110 81 R CA 1.536 57.673 56.100 0.061 0.000 0.973 81 R CB -0.334 30.022 30.300 0.094 0.000 0.869 81 R HN 0.556 nan 8.270 nan 0.000 0.440 82 M N 0.823 120.499 119.600 0.127 0.000 2.213 82 M HA -0.088 4.391 4.480 -0.001 0.000 0.263 82 M C 1.669 178.024 176.300 0.091 0.000 1.062 82 M CA 1.604 56.994 55.300 0.150 0.000 1.105 82 M CB -0.117 32.600 32.600 0.196 0.000 1.385 82 M HN 0.067 nan 8.290 nan 0.000 0.417 83 L N -0.633 120.630 121.223 0.068 0.000 2.072 83 L HA -0.054 4.285 4.340 -0.001 0.000 0.205 83 L C 2.540 179.501 176.870 0.151 0.000 1.079 83 L CA 1.014 55.909 54.840 0.093 0.000 0.752 83 L CB -1.127 40.940 42.059 0.014 0.000 0.906 83 L HN 0.389 nan 8.230 nan 0.000 0.436 84 A N -0.388 122.479 122.820 0.079 0.000 1.933 84 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 84 A C 2.324 179.949 177.584 0.069 0.000 1.175 84 A CA 1.726 53.792 52.037 0.049 0.000 0.628 84 A CB -0.748 18.258 19.000 0.009 0.000 0.814 84 A HN 0.205 nan 8.150 nan 0.000 0.444 85 V N -0.584 119.341 119.914 0.018 0.000 2.379 85 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 85 V C 2.711 178.979 176.094 0.290 0.000 1.044 85 V CA 2.356 64.691 62.300 0.059 0.000 1.036 85 V CB -1.052 30.567 31.823 -0.341 0.000 0.664 85 V HN 0.593 nan 8.190 nan 0.000 0.453 86 T N -0.536 114.152 114.554 0.223 0.000 2.788 86 T HA -0.228 4.122 4.350 -0.001 0.000 0.268 86 T C 1.953 176.833 174.700 0.299 0.000 1.044 86 T CA 1.730 63.998 62.100 0.279 0.000 1.139 86 T CB -0.146 68.865 68.868 0.239 0.000 0.867 86 T HN 0.425 nan 8.240 nan 0.000 0.454 87 K N -0.360 120.193 120.400 0.256 0.000 2.025 87 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 87 K C 2.187 178.672 176.600 -0.192 0.000 1.049 87 K CA 1.347 57.595 56.287 -0.066 0.000 0.933 87 K CB -0.260 32.055 32.500 -0.308 0.000 0.714 87 K HN 0.475 nan 8.250 nan 0.000 0.438 88 W N 0.979 122.190 121.300 -0.147 0.000 2.338 88 W HA -0.269 4.391 4.660 -0.000 0.000 0.304 88 W C 1.670 178.145 176.519 -0.073 0.000 1.212 88 W CA 1.560 58.837 57.345 -0.114 0.000 1.264 88 W CB -0.667 28.792 29.460 -0.002 0.000 1.142 88 W HN 0.138 nan 8.180 nan 0.000 0.512 89 F N 1.275 120.913 119.950 -0.519 0.000 2.102 89 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 89 F C 2.129 177.546 175.800 -0.639 0.000 1.105 89 F CA 2.065 59.587 58.000 -0.797 0.000 1.239 89 F CB -0.855 37.961 39.000 -0.307 0.000 0.991 89 F HN -0.173 nan 8.300 nan 0.000 0.474 90 I N 0.654 120.840 120.570 -0.641 0.000 2.286 90 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 90 I C 2.678 178.374 176.117 -0.702 0.000 1.115 90 I CA 1.734 62.618 61.300 -0.694 0.000 1.392 90 I CB -1.911 35.845 38.000 -0.407 0.000 1.065 90 I HN 0.354 nan 8.210 nan 0.000 0.418 91 S N 0.218 115.410 115.700 -0.847 0.000 2.469 91 S HA -0.146 4.323 4.470 -0.001 0.000 0.238 91 S C 1.929 176.276 174.600 -0.421 0.000 0.998 91 S CA 1.442 59.225 58.200 -0.695 0.000 0.957 91 S CB -0.993 61.742 63.200 -0.774 0.000 0.764 91 S HN 0.629 nan 8.310 nan 0.000 0.514 92 T N 0.238 114.393 114.554 -0.664 0.000 3.043 92 T HA 0.229 4.579 4.350 -0.001 0.000 0.263 92 T C 1.747 176.064 174.700 -0.640 0.000 1.094 92 T CA 0.446 62.150 62.100 -0.661 0.000 1.127 92 T CB -0.668 67.587 68.868 -1.022 0.000 0.905 92 T HN 0.388 nan 8.240 nan 0.000 0.490 93 L N 0.753 121.596 121.223 -0.633 0.000 1.989 93 L HA -0.062 4.277 4.340 -0.001 0.000 0.211 93 L C 2.983 179.731 176.870 -0.203 0.000 1.071 93 L CA 1.876 56.413 54.840 -0.504 0.000 0.749 93 L CB -0.659 41.028 42.059 -0.620 0.000 0.890 93 L HN 0.247 nan 8.230 nan 0.000 0.431 94 K N 0.134 120.559 120.400 0.040 0.000 2.034 94 K HA -0.221 4.099 4.320 -0.001 0.000 0.214 94 K C 2.214 178.725 176.600 -0.148 0.000 1.051 94 K CA 2.154 58.526 56.287 0.142 0.000 0.931 94 K CB -0.097 32.473 32.500 0.117 0.000 0.715 94 K HN 0.129 nan 8.250 nan 0.000 0.446 95 S N 0.617 116.079 115.700 -0.397 0.000 2.423 95 S HA -0.094 4.376 4.470 -0.001 0.000 0.231 95 S C 1.783 175.711 174.600 -1.120 0.000 1.014 95 S CA 0.838 58.519 58.200 -0.864 0.000 0.965 95 S CB -0.065 62.415 63.200 -1.201 0.000 0.785 95 S HN 0.347 nan 8.310 nan 0.000 0.495 96 Q N -0.212 119.094 119.800 -0.823 0.000 2.083 96 Q HA -0.008 4.331 4.340 -0.001 0.000 0.198 96 Q C 0.915 176.390 176.000 -0.875 0.000 0.969 96 Q CA 1.260 56.555 55.803 -0.846 0.000 0.838 96 Q CB -0.178 27.821 28.738 -1.233 0.000 0.900 96 Q HN 0.715 nan 8.270 nan 0.000 0.436 97 Y N -1.708 118.407 120.300 -0.307 0.000 2.467 97 Y HA 0.198 4.747 4.550 -0.001 0.000 0.250 97 Y C 0.474 176.319 175.900 -0.093 0.000 1.155 97 Y CA -0.607 57.355 58.100 -0.230 0.000 1.249 97 Y CB 0.802 39.041 38.460 -0.369 0.000 1.146 97 Y HN -0.065 nan 8.280 nan 0.000 0.524 98 C N 1.285 120.581 119.300 -0.007 0.000 2.271 98 C HA 0.254 4.714 4.460 -0.001 0.000 0.323 98 C C 1.669 176.606 174.990 -0.088 0.000 1.245 98 C CA -0.461 58.552 59.018 -0.009 0.000 1.548 98 C CB -0.052 27.695 27.740 0.011 0.000 2.214 98 C HN 0.585 nan 8.230 nan 0.000 0.477 99 S N 2.630 118.291 115.700 -0.064 0.000 2.470 99 S HA 0.063 4.533 4.470 -0.001 0.000 0.225 99 S C 0.651 175.172 174.600 -0.132 0.000 1.006 99 S CA 0.328 58.480 58.200 -0.081 0.000 0.934 99 S CB 0.134 63.306 63.200 -0.047 0.000 0.778 99 S HN 0.774 nan 8.310 nan 0.000 0.517 100 R N 1.819 122.217 120.500 -0.170 0.000 2.486 100 R HA 0.487 4.827 4.340 -0.001 0.000 0.286 100 R C -0.786 175.462 176.300 -0.086 0.000 0.999 100 R CA -0.385 55.545 56.100 -0.283 0.000 0.993 100 R CB 0.577 30.562 30.300 -0.524 0.000 1.084 100 R HN 0.200 nan 8.270 nan 0.000 0.487 101 N N 1.715 120.450 118.700 0.060 0.000 2.594 101 N HA 0.028 4.768 4.740 -0.001 0.000 0.280 101 N C -0.328 175.357 175.510 0.292 0.000 1.156 101 N CA -0.077 53.053 53.050 0.134 0.000 0.831 101 N CB 1.368 39.886 38.487 0.052 0.000 1.379 101 N HN 0.605 nan 8.380 nan 0.000 0.536 102 E N 0.288 120.663 120.200 0.290 0.000 2.204 102 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 102 E C 1.326 177.955 176.600 0.049 0.000 0.990 102 E CA 1.217 57.724 56.400 0.179 0.000 0.821 102 E CB 0.239 30.014 29.700 0.124 0.000 0.750 102 E HN 0.654 nan 8.360 nan 0.000 0.477 103 S N -0.271 115.461 115.700 0.053 0.000 2.607 103 S HA 0.053 4.523 4.470 -0.001 0.000 0.224 103 S C 1.416 176.029 174.600 0.021 0.000 0.969 103 S CA 0.311 58.525 58.200 0.023 0.000 0.927 103 S CB 0.073 63.287 63.200 0.024 0.000 0.772 103 S HN 0.189 nan 8.310 nan 0.000 0.533 104 L N -0.824 120.423 121.223 0.039 0.000 3.076 104 L HA 0.414 4.753 4.340 -0.001 0.000 0.271 104 L C 1.473 178.369 176.870 0.043 0.000 1.152 104 L CA 0.155 55.015 54.840 0.034 0.000 0.996 104 L CB -0.258 41.825 42.059 0.039 0.000 1.453 104 L HN 0.418 nan 8.230 nan 0.000 0.571 105 G N 2.065 110.902 108.800 0.061 0.000 2.221 105 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.265 105 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.265 105 G C 0.158 175.198 174.900 0.233 0.000 1.041 105 G CA 0.585 45.686 45.100 0.001 0.000 0.807 105 G HN 0.487 nan 8.290 nan 0.000 0.502 106 S N -1.412 114.502 115.700 0.357 0.000 2.566 106 S HA 0.768 5.237 4.470 -0.001 0.000 0.298 106 S C -0.600 174.104 174.600 0.173 0.000 1.083 106 S CA -0.398 57.955 58.200 0.256 0.000 0.978 106 S CB 2.859 66.122 63.200 0.105 0.000 1.073 106 S HN 0.563 nan 8.310 nan 0.000 0.491 107 E N 1.183 121.416 120.200 0.055 0.000 2.220 107 E HA 0.292 4.642 4.350 -0.001 0.000 0.256 107 E C -1.024 175.550 176.600 -0.042 0.000 0.881 107 E CA -0.579 55.756 56.400 -0.109 0.000 0.766 107 E CB 0.834 30.436 29.700 -0.165 0.000 1.187 107 E HN 0.583 nan 8.360 nan 0.000 0.419 108 K N 3.119 123.493 120.400 -0.044 0.000 2.368 108 K HA 0.127 4.446 4.320 -0.001 0.000 0.282 108 K C -0.116 176.490 176.600 0.010 0.000 1.035 108 K CA -0.102 56.186 56.287 0.001 0.000 0.973 108 K CB 0.745 33.262 32.500 0.029 0.000 0.957 108 K HN 0.156 nan 8.250 nan 0.000 0.474 109 K N 5.014 125.417 120.400 0.006 0.000 2.521 109 K HA 0.286 4.606 4.320 -0.001 0.000 0.248 109 K C -2.817 173.750 176.600 -0.055 0.000 0.978 109 K CA -2.354 53.919 56.287 -0.023 0.000 0.947 109 K CB 1.303 33.787 32.500 -0.027 0.000 1.165 109 K HN 0.249 nan 8.250 nan 0.000 0.445 110 P HA 0.136 nan 4.420 nan 0.000 0.268 110 P C -0.611 176.528 177.300 -0.269 0.000 1.204 110 P CA -0.029 62.954 63.100 -0.195 0.000 0.768 110 P CB 0.587 32.106 31.700 -0.301 0.000 0.842 111 L N 2.851 123.833 121.223 -0.401 0.000 2.329 111 L HA 0.411 4.751 4.340 -0.001 0.000 0.279 111 L C 0.642 177.221 176.870 -0.485 0.000 1.014 111 L CA -0.961 53.531 54.840 -0.580 0.000 0.814 111 L CB 1.370 42.748 42.059 -1.135 0.000 1.257 111 L HN 0.267 nan 8.230 nan 0.000 0.424 112 N N 4.169 122.702 118.700 -0.277 0.000 2.406 112 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 112 N C -2.446 173.125 175.510 0.101 0.000 1.203 112 N CA -1.105 51.903 53.050 -0.070 0.000 0.945 112 N CB 0.549 39.067 38.487 0.052 0.000 1.165 112 N HN 0.225 nan 8.380 nan 0.000 0.485 113 P HA 0.053 nan 4.420 nan 0.000 0.267 113 P C -0.753 176.664 177.300 0.195 0.000 1.200 113 P CA 0.106 63.273 63.100 0.112 0.000 0.772 113 P CB 0.182 31.832 31.700 -0.083 0.000 0.855 114 F N 1.062 121.143 119.950 0.217 0.000 2.399 114 F HA 0.514 5.040 4.527 -0.001 0.000 0.328 114 F C -0.003 175.803 175.800 0.010 0.000 1.084 114 F CA -1.851 56.123 58.000 -0.043 0.000 1.053 114 F CB 0.042 38.970 39.000 -0.120 0.000 1.209 114 F HN 0.052 nan 8.300 nan 0.000 0.502 115 L N 3.543 124.878 121.223 0.187 0.000 2.578 115 L HA 0.349 4.689 4.340 -0.001 0.000 0.279 115 L C 1.072 178.189 176.870 0.412 0.000 1.227 115 L CA 1.483 56.468 54.840 0.241 0.000 0.900 115 L CB 0.110 42.352 42.059 0.304 0.000 1.144 115 L HN 1.120 nan 8.230 nan 0.000 0.496 116 G N 2.523 111.469 108.800 0.244 0.000 2.176 116 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.253 116 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.253 116 G C 0.365 175.325 174.900 0.100 0.000 0.979 116 G CA 0.289 45.585 45.100 0.326 0.000 0.641 116 G HN 0.835 nan 8.290 nan 0.000 0.530 117 E N 0.241 120.310 120.200 -0.217 0.000 2.413 117 E HA 0.488 4.837 4.350 -0.001 0.000 0.263 117 E C 0.339 176.862 176.600 -0.129 0.000 1.015 117 E CA -0.063 56.064 56.400 -0.455 0.000 0.916 117 E CB 0.195 29.276 29.700 -1.032 0.000 0.947 117 E HN 0.435 nan 8.360 nan 0.000 0.440 118 L N 3.708 124.939 121.223 0.014 0.000 2.371 118 L HA 0.622 4.961 4.340 -0.001 0.000 0.262 118 L C -0.999 176.044 176.870 0.288 0.000 1.006 118 L CA -1.130 53.794 54.840 0.140 0.000 0.818 118 L CB 1.607 43.735 42.059 0.116 0.000 1.354 118 L HN 0.545 nan 8.230 nan 0.000 0.415 119 F N 2.705 122.742 119.950 0.145 0.000 2.653 119 F HA 0.655 5.182 4.527 -0.000 0.000 0.327 119 F C -1.075 174.772 175.800 0.078 0.000 1.195 119 F CA -0.759 57.294 58.000 0.087 0.000 0.993 119 F CB 1.598 40.611 39.000 0.021 0.000 1.259 119 F HN 0.160 nan 8.300 nan 0.000 0.478 120 V N 3.091 122.688 119.914 -0.529 0.000 2.876 120 V HA 1.117 5.237 4.120 -0.001 0.000 0.312 120 V C -0.533 175.150 176.094 -0.685 0.000 1.085 120 V CA -0.038 61.967 62.300 -0.492 0.000 0.945 120 V CB 1.182 32.876 31.823 -0.216 0.000 1.017 120 V HN 1.303 nan 8.190 nan 0.000 0.428 121 G N 2.475 110.915 108.800 -0.600 0.000 2.489 121 G HA2 0.751 4.711 3.960 -0.001 0.000 0.305 121 G HA3 0.751 4.711 3.960 -0.001 0.000 0.305 121 G C -1.554 173.045 174.900 -0.502 0.000 1.311 121 G CA -0.435 44.333 45.100 -0.554 0.000 0.813 121 G HN 1.390 nan 8.290 nan 0.000 0.480 122 K N -1.125 118.980 120.400 -0.491 0.000 2.578 122 K HA 0.407 4.726 4.320 -0.001 0.000 0.269 122 K C -1.806 174.602 176.600 -0.319 0.000 0.941 122 K CA -1.059 55.014 56.287 -0.356 0.000 0.847 122 K CB 1.842 34.243 32.500 -0.165 0.000 1.397 122 K HN 0.498 nan 8.250 nan 0.000 0.422 123 W N 2.711 123.973 121.300 -0.063 0.000 2.316 123 W HA 0.212 4.872 4.660 -0.001 0.000 0.308 123 W C 0.407 176.943 176.519 0.028 0.000 1.106 123 W CA -0.275 57.067 57.345 -0.005 0.000 1.262 123 W CB 1.416 30.875 29.460 -0.001 0.000 1.233 123 W HN 0.871 nan 8.180 nan 0.000 0.447 124 E N 1.872 122.194 120.200 0.204 0.000 2.216 124 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 124 E C 0.502 177.225 176.600 0.205 0.000 0.988 124 E CA 0.359 56.855 56.400 0.161 0.000 0.834 124 E CB 0.050 29.809 29.700 0.100 0.000 0.772 124 E HN 0.374 nan 8.360 nan 0.000 0.479 125 N N 1.108 119.962 118.700 0.256 0.000 2.707 125 N HA -0.230 4.509 4.740 -0.001 0.000 0.253 125 N C 0.155 175.789 175.510 0.207 0.000 0.998 125 N CA 0.920 54.156 53.050 0.309 0.000 0.751 125 N CB -0.765 38.000 38.487 0.462 0.000 0.920 125 N HN 0.312 nan 8.380 nan 0.000 0.539 126 K N 0.345 120.816 120.400 0.119 0.000 2.211 126 K HA -0.103 4.217 4.320 -0.001 0.000 0.203 126 K C 1.571 178.157 176.600 -0.023 0.000 1.050 126 K CA 0.829 57.148 56.287 0.054 0.000 0.945 126 K CB 0.073 32.596 32.500 0.038 0.000 0.732 126 K HN 0.134 nan 8.250 nan 0.000 0.451 127 E N 0.262 120.418 120.200 -0.074 0.000 2.516 127 E HA -0.076 4.274 4.350 -0.001 0.000 0.199 127 E C -0.577 175.663 176.600 -0.600 0.000 1.069 127 E CA 0.673 56.900 56.400 -0.289 0.000 0.876 127 E CB 0.200 29.716 29.700 -0.307 0.000 0.843 127 E HN 0.225 nan 8.360 nan 0.000 0.530 128 H N -0.892 118.114 119.070 -0.106 0.000 2.852 128 H HA 0.119 4.674 4.556 -0.001 0.000 0.274 128 H C -2.049 173.157 175.328 -0.203 0.000 1.321 128 H CA -1.491 54.362 56.048 -0.324 0.000 1.582 128 H CB 1.400 30.676 29.762 -0.810 0.000 1.699 128 H HN 0.065 nan 8.280 nan 0.000 0.546 129 P HA -0.204 nan 4.420 nan 0.000 0.218 129 P C 1.242 178.585 177.300 0.070 0.000 1.146 129 P CA 1.243 64.360 63.100 0.028 0.000 0.813 129 P CB 0.466 32.169 31.700 0.005 0.000 0.778 130 E N -0.940 119.269 120.200 0.015 0.000 2.347 130 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 130 E C 1.623 178.457 176.600 0.391 0.000 1.008 130 E CA 0.717 57.193 56.400 0.126 0.000 0.852 130 E CB -0.894 28.813 29.700 0.011 0.000 0.783 130 E HN 0.177 nan 8.360 nan 0.000 0.505 131 F N 1.894 121.988 119.950 0.239 0.000 2.118 131 F HA 0.280 4.807 4.527 -0.001 0.000 0.293 131 F C 1.893 177.804 175.800 0.185 0.000 1.102 131 F CA 0.971 59.128 58.000 0.262 0.000 1.247 131 F CB -0.957 38.173 39.000 0.217 0.000 1.017 131 F HN 0.270 nan 8.300 nan 0.000 0.475 132 G N 0.022 109.045 108.800 0.371 0.000 2.685 132 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.387 132 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.387 132 G C -0.476 174.563 174.900 0.232 0.000 1.324 132 G CA -0.500 44.746 45.100 0.244 0.000 0.878 132 G HN 0.296 nan 8.290 nan 0.000 0.527 133 E N -0.244 120.062 120.200 0.178 0.000 2.259 133 E HA 0.519 4.869 4.350 -0.001 0.000 0.281 133 E C -0.238 176.445 176.600 0.138 0.000 1.037 133 E CA -0.074 56.420 56.400 0.156 0.000 0.854 133 E CB 0.512 30.283 29.700 0.119 0.000 1.051 133 E HN 0.433 nan 8.360 nan 0.000 0.409 134 T N 3.807 118.459 114.554 0.163 0.000 2.772 134 T HA 0.294 4.644 4.350 -0.001 0.000 0.288 134 T C -0.537 174.182 174.700 0.031 0.000 0.994 134 T CA -0.563 61.617 62.100 0.134 0.000 0.951 134 T CB 1.093 70.101 68.868 0.233 0.000 0.933 134 T HN 0.195 nan 8.240 nan 0.000 0.447 135 V N 4.607 124.312 119.914 -0.349 0.000 2.539 135 V HA 0.555 4.675 4.120 -0.001 0.000 0.292 135 V C -0.247 175.477 176.094 -0.618 0.000 1.045 135 V CA -0.818 61.117 62.300 -0.609 0.000 0.945 135 V CB 1.561 32.762 31.823 -1.036 0.000 0.993 135 V HN 0.683 nan 8.190 nan 0.000 0.464 136 L N 6.349 127.282 121.223 -0.484 0.000 2.356 136 L HA 0.681 5.021 4.340 -0.001 0.000 0.277 136 L C -1.114 175.520 176.870 -0.393 0.000 0.996 136 L CA 0.085 54.724 54.840 -0.335 0.000 0.822 136 L CB 1.340 43.245 42.059 -0.257 0.000 1.256 136 L HN 0.538 nan 8.230 nan 0.000 0.413 137 L N 4.402 125.461 121.223 -0.274 0.000 2.381 137 L HA 0.683 5.023 4.340 -0.001 0.000 0.274 137 L C -0.345 176.657 176.870 0.220 0.000 0.988 137 L CA -0.455 54.280 54.840 -0.176 0.000 0.824 137 L CB 1.927 43.696 42.059 -0.484 0.000 1.263 137 L HN 0.689 nan 8.230 nan 0.000 0.410 138 S N 2.615 118.524 115.700 0.348 0.000 2.538 138 S HA 0.602 5.071 4.470 -0.001 0.000 0.288 138 S C -1.321 173.471 174.600 0.321 0.000 1.108 138 S CA -0.464 57.934 58.200 0.330 0.000 0.971 138 S CB 1.981 65.359 63.200 0.297 0.000 1.041 138 S HN 0.727 nan 8.310 nan 0.000 0.483 139 E N 2.357 122.627 120.200 0.116 0.000 2.343 139 E HA 0.294 4.644 4.350 -0.001 0.000 0.278 139 E C -1.662 174.836 176.600 -0.171 0.000 0.910 139 E CA -0.591 55.814 56.400 0.009 0.000 0.757 139 E CB 1.526 31.288 29.700 0.104 0.000 1.218 139 E HN 0.472 nan 8.360 nan 0.000 0.435 140 Q N 3.146 122.846 119.800 -0.166 0.000 2.389 140 Q HA 0.176 4.516 4.340 -0.001 0.000 0.244 140 Q C 0.349 176.191 176.000 -0.264 0.000 1.056 140 Q CA 0.003 55.682 55.803 -0.207 0.000 0.908 140 Q CB 1.110 29.748 28.738 -0.167 0.000 1.273 140 Q HN 0.502 nan 8.270 nan 0.000 0.471 141 V N 0.593 120.216 119.914 -0.485 0.000 3.541 141 V HA 0.296 4.416 4.120 -0.001 0.000 0.267 141 V C 0.469 176.274 176.094 -0.481 0.000 1.213 141 V CA 0.502 62.368 62.300 -0.723 0.000 1.149 141 V CB 0.094 30.854 31.823 -1.771 0.000 0.822 141 V HN 0.481 nan 8.190 nan 0.000 0.462 142 S N -1.508 114.029 115.700 -0.272 0.000 2.535 142 S HA 0.547 5.017 4.470 -0.001 0.000 0.272 142 S C -0.170 174.431 174.600 0.002 0.000 1.149 142 S CA -0.246 57.915 58.200 -0.065 0.000 0.888 142 S CB 1.803 64.997 63.200 -0.010 0.000 1.110 142 S HN 0.518 nan 8.310 nan 0.000 0.463 143 H N 2.886 121.914 119.070 -0.069 0.000 2.545 143 H HA 0.432 4.988 4.556 -0.001 0.000 0.283 143 H C -0.140 174.989 175.328 -0.332 0.000 0.997 143 H CA 0.982 56.923 56.048 -0.178 0.000 1.269 143 H CB 0.316 29.985 29.762 -0.155 0.000 1.451 143 H HN 0.717 nan 8.280 nan 0.000 0.508 144 H N 1.621 120.675 119.070 -0.026 0.000 2.791 144 H HA 0.295 4.851 4.556 -0.001 0.000 0.272 144 H C -2.153 173.159 175.328 -0.025 0.000 1.188 144 H CA -1.851 54.147 56.048 -0.082 0.000 1.436 144 H CB 1.123 30.863 29.762 -0.037 0.000 1.467 144 H HN 0.366 nan 8.280 nan 0.000 0.500 145 P HA 0.275 nan 4.420 nan 0.000 0.280 145 P C -2.901 174.348 177.300 -0.086 0.000 1.272 145 P CA -2.216 60.859 63.100 -0.041 0.000 0.819 145 P CB 1.216 32.884 31.700 -0.053 0.000 1.122 146 P HA 0.145 nan 4.420 nan 0.000 0.271 146 P C -0.843 176.420 177.300 -0.063 0.000 1.233 146 P CA 0.355 63.394 63.100 -0.102 0.000 0.764 146 P CB 0.368 32.004 31.700 -0.107 0.000 0.825 147 V N 4.152 124.012 119.914 -0.090 0.000 2.623 147 V HA 0.357 4.477 4.120 -0.001 0.000 0.304 147 V C -0.100 175.874 176.094 -0.200 0.000 1.054 147 V CA -0.388 61.849 62.300 -0.105 0.000 0.882 147 V CB 2.399 34.131 31.823 -0.151 0.000 1.002 147 V HN 0.346 nan 8.190 nan 0.000 0.424 148 T N 4.095 118.587 114.554 -0.103 0.000 2.797 148 T HA 0.780 5.129 4.350 -0.001 0.000 0.279 148 T C -0.024 174.616 174.700 -0.100 0.000 0.991 148 T CA -0.257 61.777 62.100 -0.111 0.000 0.979 148 T CB 1.667 70.529 68.868 -0.009 0.000 0.943 148 T HN 0.969 nan 8.240 nan 0.000 0.444 149 A N 3.297 125.901 122.820 -0.360 0.000 2.355 149 A HA 0.969 5.289 4.320 -0.001 0.000 0.324 149 A C -0.923 176.274 177.584 -0.646 0.000 1.117 149 A CA -0.817 50.805 52.037 -0.692 0.000 0.785 149 A CB 0.676 18.894 19.000 -1.303 0.000 1.254 149 A HN 0.817 nan 8.150 nan 0.000 0.453 150 F N -0.731 118.942 119.950 -0.462 0.000 2.662 150 F HA 0.860 5.387 4.527 -0.000 0.000 0.312 150 F C -0.435 175.444 175.800 0.131 0.000 1.113 150 F CA -0.985 56.967 58.000 -0.080 0.000 0.951 150 F CB 1.502 40.470 39.000 -0.053 0.000 1.344 150 F HN 0.562 nan 8.300 nan 0.000 0.462 151 S N 1.310 117.138 115.700 0.214 0.000 2.603 151 S HA 0.758 5.228 4.470 -0.001 0.000 0.274 151 S C -1.662 172.930 174.600 -0.013 0.000 1.168 151 S CA -0.506 57.652 58.200 -0.070 0.000 0.963 151 S CB 0.850 63.548 63.200 -0.837 0.000 1.078 151 S HN 0.695 nan 8.310 nan 0.000 0.477 152 I N 5.899 126.523 120.570 0.089 0.000 2.410 152 I HA 0.548 4.717 4.170 -0.001 0.000 0.286 152 I C -1.064 175.166 176.117 0.188 0.000 1.009 152 I CA -0.780 60.529 61.300 0.014 0.000 1.111 152 I CB 1.223 39.187 38.000 -0.059 0.000 1.262 152 I HN 0.638 nan 8.210 nan 0.000 0.443 153 F N 4.164 124.162 119.950 0.080 0.000 2.578 153 F HA 0.545 5.071 4.527 -0.001 0.000 0.311 153 F C -0.846 175.048 175.800 0.156 0.000 1.094 153 F CA -0.911 57.170 58.000 0.135 0.000 0.923 153 F CB 1.338 40.381 39.000 0.071 0.000 1.230 153 F HN 0.291 nan 8.300 nan 0.000 0.450 154 N N 3.010 121.895 118.700 0.308 0.000 2.569 154 N HA 0.148 4.888 4.740 -0.001 0.000 0.254 154 N C -0.285 175.338 175.510 0.188 0.000 1.004 154 N CA -0.231 52.938 53.050 0.198 0.000 0.904 154 N CB 0.983 39.540 38.487 0.116 0.000 1.165 154 N HN 0.797 nan 8.380 nan 0.000 0.513 155 D N 2.487 123.036 120.400 0.248 0.000 2.123 155 D HA -0.196 4.443 4.640 -0.001 0.000 0.196 155 D C 1.551 177.911 176.300 0.100 0.000 0.992 155 D CA 1.217 55.327 54.000 0.183 0.000 0.833 155 D CB 0.380 41.303 40.800 0.206 0.000 0.954 155 D HN 0.621 nan 8.370 nan 0.000 0.455 156 K N 0.471 120.932 120.400 0.101 0.000 2.063 156 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 156 K C 1.154 177.766 176.600 0.021 0.000 1.048 156 K CA 1.142 57.474 56.287 0.076 0.000 0.928 156 K CB 0.148 32.715 32.500 0.111 0.000 0.713 156 K HN 0.024 nan 8.250 nan 0.000 0.442 157 N N 0.700 119.382 118.700 -0.031 0.000 2.230 157 N HA 0.030 4.770 4.740 -0.001 0.000 0.202 157 N C -0.813 174.598 175.510 -0.165 0.000 1.119 157 N CA 0.147 53.102 53.050 -0.158 0.000 0.851 157 N CB 0.744 39.032 38.487 -0.331 0.000 0.990 157 N HN 0.142 nan 8.380 nan 0.000 0.497 158 K N 0.350 120.704 120.400 -0.077 0.000 3.150 158 K HA -0.122 4.197 4.320 -0.001 0.000 0.267 158 K C -0.988 175.546 176.600 -0.111 0.000 1.028 158 K CA 0.237 56.487 56.287 -0.063 0.000 0.753 158 K CB -1.590 30.872 32.500 -0.064 0.000 1.288 158 K HN -0.039 nan 8.250 nan 0.000 0.473 159 V N 1.550 121.383 119.914 -0.134 0.000 2.409 159 V HA 0.364 4.484 4.120 -0.001 0.000 0.291 159 V C 0.031 176.088 176.094 -0.062 0.000 1.020 159 V CA -0.437 61.715 62.300 -0.247 0.000 0.848 159 V CB 1.542 33.025 31.823 -0.567 0.000 0.990 159 V HN 0.311 nan 8.190 nan 0.000 0.430 160 K N 5.410 125.807 120.400 -0.006 0.000 2.501 160 K HA 0.842 5.162 4.320 -0.001 0.000 0.252 160 K C -1.547 175.148 176.600 0.159 0.000 0.934 160 K CA -0.791 55.600 56.287 0.173 0.000 0.797 160 K CB 3.050 35.658 32.500 0.180 0.000 1.270 160 K HN 0.550 nan 8.250 nan 0.000 0.431 161 L N 1.903 123.276 121.223 0.250 0.000 2.354 161 L HA 0.504 4.844 4.340 -0.001 0.000 0.264 161 L C -1.722 175.213 176.870 0.108 0.000 1.008 161 L CA -0.333 54.621 54.840 0.191 0.000 0.819 161 L CB 2.302 44.547 42.059 0.310 0.000 1.339 161 L HN 1.015 nan 8.230 nan 0.000 0.420 162 Q N 3.094 122.894 119.800 -0.000 0.000 2.426 162 Q HA 0.827 5.167 4.340 -0.001 0.000 0.278 162 Q C -1.406 174.354 176.000 -0.401 0.000 1.007 162 Q CA -0.588 55.131 55.803 -0.139 0.000 0.850 162 Q CB 2.373 31.154 28.738 0.072 0.000 1.427 162 Q HN 0.903 nan 8.270 nan 0.000 0.391 163 G N 0.664 108.913 108.800 -0.920 0.000 2.430 163 G HA2 0.533 4.493 3.960 -0.001 0.000 0.300 163 G HA3 0.533 4.493 3.960 -0.001 0.000 0.300 163 G C -2.211 172.067 174.900 -1.037 0.000 1.330 163 G CA -0.177 44.364 45.100 -0.932 0.000 0.813 163 G HN 1.053 nan 8.290 nan 0.000 0.487 164 Y N -0.992 118.966 120.300 -0.570 0.000 2.609 164 Y HA 0.836 5.386 4.550 -0.000 0.000 0.336 164 Y C -1.185 174.754 175.900 0.065 0.000 1.129 164 Y CA -1.518 56.435 58.100 -0.245 0.000 1.040 164 Y CB 1.857 40.216 38.460 -0.168 0.000 1.310 164 Y HN 0.764 nan 8.280 nan 0.000 0.460 165 N N 1.444 120.280 118.700 0.226 0.000 2.229 165 N HA 0.529 5.269 4.740 -0.001 0.000 0.298 165 N C -2.069 173.560 175.510 0.199 0.000 1.114 165 N CA -0.464 52.691 53.050 0.176 0.000 0.776 165 N CB 2.539 41.168 38.487 0.237 0.000 1.501 165 N HN 0.890 nan 8.380 nan 0.000 0.474 166 Q N 2.611 122.535 119.800 0.208 0.000 2.352 166 Q HA 0.466 4.805 4.340 -0.001 0.000 0.270 166 Q C -1.693 174.458 176.000 0.252 0.000 1.006 166 Q CA -0.721 55.194 55.803 0.186 0.000 0.880 166 Q CB 1.315 30.170 28.738 0.196 0.000 1.392 166 Q HN 0.733 nan 8.270 nan 0.000 0.401 167 I N -0.863 119.800 120.570 0.156 0.000 2.892 167 I HA 0.692 4.862 4.170 -0.001 0.000 0.306 167 I C -1.445 174.740 176.117 0.113 0.000 1.078 167 I CA -1.057 60.363 61.300 0.200 0.000 1.032 167 I CB 2.539 40.615 38.000 0.126 0.000 1.229 167 I HN 0.445 nan 8.210 nan 0.000 0.435 168 K N 3.274 123.770 120.400 0.161 0.000 2.578 168 K HA 0.730 5.049 4.320 -0.001 0.000 0.250 168 K C -1.105 175.500 176.600 0.010 0.000 0.955 168 K CA -0.543 55.794 56.287 0.083 0.000 0.825 168 K CB 2.297 34.897 32.500 0.168 0.000 1.151 168 K HN 0.839 nan 8.250 nan 0.000 0.432 169 A N 1.761 124.548 122.820 -0.055 0.000 2.306 169 A HA 0.852 5.172 4.320 -0.001 0.000 0.330 169 A C -0.551 176.946 177.584 -0.144 0.000 1.146 169 A CA -0.486 51.467 52.037 -0.140 0.000 0.827 169 A CB 1.077 19.973 19.000 -0.172 0.000 1.178 169 A HN 0.736 nan 8.150 nan 0.000 0.490 170 S N -0.252 115.303 115.700 -0.240 0.000 2.622 170 S HA 0.615 5.084 4.470 -0.001 0.000 0.275 170 S C -1.116 173.305 174.600 -0.298 0.000 1.112 170 S CA -0.760 57.327 58.200 -0.189 0.000 0.837 170 S CB -0.005 63.171 63.200 -0.040 0.000 1.082 170 S HN 0.570 nan 8.310 nan 0.000 0.456 171 F N 1.465 121.414 119.950 -0.002 0.000 2.377 171 F HA 0.684 5.210 4.527 -0.001 0.000 0.328 171 F C 1.331 177.132 175.800 0.002 0.000 1.094 171 F CA -0.032 57.967 58.000 -0.001 0.000 1.093 171 F CB 1.859 40.861 39.000 0.002 0.000 1.214 171 F HN 0.712 nan 8.300 nan 0.000 0.518 172 T N 0.403 115.071 114.554 0.190 0.000 2.919 172 T HA 0.255 4.605 4.350 -0.001 0.000 0.282 172 T C -0.395 174.372 174.700 0.111 0.000 1.020 172 T CA -1.133 61.032 62.100 0.110 0.000 0.994 172 T CB 0.985 69.891 68.868 0.062 0.000 1.180 172 T HN 0.321 nan 8.240 nan 0.000 0.566 173 K N 2.082 122.525 120.400 0.071 0.000 1.985 173 K HA 0.329 4.649 4.320 -0.001 0.000 0.234 173 K C -0.136 176.498 176.600 0.057 0.000 1.140 173 K CA 0.175 56.495 56.287 0.055 0.000 1.141 173 K CB -0.409 32.115 32.500 0.039 0.000 1.165 173 K HN 0.529 nan 8.250 nan 0.000 0.301 174 S N 0.959 116.701 115.700 0.070 0.000 2.646 174 S HA -0.098 4.372 4.470 -0.001 0.000 0.278 174 S C 0.320 174.991 174.600 0.118 0.000 0.779 174 S CA -0.843 57.400 58.200 0.070 0.000 1.198 174 S CB -0.236 63.003 63.200 0.065 0.000 1.492 174 S HN 0.543 nan 8.310 nan 0.000 0.456 175 L N 3.351 124.637 121.223 0.106 0.000 2.270 175 L HA -0.189 4.151 4.340 -0.001 0.000 0.217 175 L C 2.160 179.201 176.870 0.285 0.000 1.107 175 L CA 1.940 56.881 54.840 0.167 0.000 0.772 175 L CB -0.413 41.716 42.059 0.117 0.000 0.902 175 L HN 0.845 nan 8.230 nan 0.000 0.439 176 M N -0.664 119.045 119.600 0.181 0.000 5.239 176 M HA -0.353 4.127 4.480 -0.001 0.000 0.313 176 M C 1.162 177.503 176.300 0.068 0.000 0.727 176 M CA 1.906 57.278 55.300 0.120 0.000 0.939 176 M CB -1.719 30.936 32.600 0.091 0.000 1.458 176 M HN 0.400 nan 8.290 nan 0.000 0.778 177 L N 1.266 122.477 121.223 -0.020 0.000 2.805 177 L HA -0.152 4.187 4.340 -0.001 0.000 0.688 177 L C -1.035 175.670 176.870 -0.275 0.000 1.050 177 L CA 0.468 55.044 54.840 -0.440 0.000 1.362 177 L CB -1.390 40.377 42.059 -0.488 0.000 1.968 177 L HN 0.726 nan 8.230 nan 0.000 0.923 178 T N 4.406 118.810 114.554 -0.250 0.000 2.829 178 T HA 0.667 5.017 4.350 -0.001 0.000 0.282 178 T C 0.167 174.707 174.700 -0.267 0.000 0.990 178 T CA -0.441 61.533 62.100 -0.210 0.000 1.028 178 T CB 2.152 70.943 68.868 -0.129 0.000 0.951 178 T HN 0.366 nan 8.240 nan 0.000 0.460 179 V N 4.246 123.932 119.914 -0.380 0.000 2.407 179 V HA 0.374 4.493 4.120 -0.001 0.000 0.291 179 V C 0.067 175.936 176.094 -0.375 0.000 1.018 179 V CA -1.001 61.033 62.300 -0.444 0.000 0.842 179 V CB 1.314 32.669 31.823 -0.779 0.000 0.996 179 V HN 0.735 nan 8.190 nan 0.000 0.426 180 K N 3.556 123.875 120.400 -0.135 0.000 2.234 180 K HA 0.402 4.721 4.320 -0.001 0.000 0.282 180 K C -0.238 176.366 176.600 0.007 0.000 1.039 180 K CA -0.521 55.713 56.287 -0.088 0.000 0.928 180 K CB 1.025 33.511 32.500 -0.023 0.000 1.039 180 K HN 0.553 nan 8.250 nan 0.000 0.470 181 Q N 2.407 122.160 119.800 -0.079 0.000 2.230 181 Q HA 0.367 4.707 4.340 -0.001 0.000 0.253 181 Q C -0.983 174.940 176.000 -0.128 0.000 0.919 181 Q CA -0.184 55.652 55.803 0.055 0.000 0.908 181 Q CB 0.996 29.787 28.738 0.089 0.000 1.245 181 Q HN 0.368 nan 8.270 nan 0.000 0.437 182 F N -0.497 119.505 119.950 0.088 0.000 2.577 182 F HA 0.706 5.232 4.527 -0.001 0.000 0.318 182 F C 0.739 176.543 175.800 0.006 0.000 1.065 182 F CA -0.057 58.003 58.000 0.100 0.000 0.929 182 F CB 2.183 41.273 39.000 0.150 0.000 1.237 182 F HN 0.703 nan 8.300 nan 0.000 0.468 183 G N 1.097 109.958 108.800 0.102 0.000 2.525 183 G HA2 0.313 4.273 3.960 -0.001 0.000 0.685 183 G HA3 0.313 4.273 3.960 -0.001 0.000 0.685 183 G C -1.736 172.985 174.900 -0.299 0.000 1.290 183 G CA -0.572 44.201 45.100 -0.545 0.000 0.915 183 G HN 1.477 nan 8.290 nan 0.000 0.548 184 H N -2.779 116.020 119.070 -0.451 0.000 2.932 184 H HA 0.825 5.380 4.556 -0.001 0.000 0.307 184 H C -1.150 174.054 175.328 -0.207 0.000 1.391 184 H CA -0.119 55.828 56.048 -0.168 0.000 1.130 184 H CB 1.296 31.004 29.762 -0.089 0.000 1.836 184 H HN 0.903 nan 8.280 nan 0.000 0.522 185 T N 1.557 116.145 114.554 0.056 0.000 2.909 185 T HA 0.509 4.859 4.350 -0.001 0.000 0.299 185 T C -0.187 174.572 174.700 0.097 0.000 1.073 185 T CA -0.757 61.294 62.100 -0.082 0.000 0.999 185 T CB 1.798 70.459 68.868 -0.345 0.000 1.098 185 T HN 0.425 nan 8.240 nan 0.000 0.477 186 M N 2.806 122.448 119.600 0.071 0.000 2.321 186 M HA 0.540 5.020 4.480 -0.001 0.000 0.315 186 M C -1.537 174.839 176.300 0.126 0.000 1.052 186 M CA -0.939 54.443 55.300 0.137 0.000 0.936 186 M CB 2.154 34.839 32.600 0.142 0.000 1.639 186 M HN 0.334 nan 8.290 nan 0.000 0.433 187 L N 3.607 124.928 121.223 0.163 0.000 2.313 187 L HA 0.548 4.888 4.340 -0.001 0.000 0.283 187 L C -1.320 175.622 176.870 0.121 0.000 1.013 187 L CA 0.129 55.030 54.840 0.102 0.000 0.816 187 L CB 1.287 43.353 42.059 0.012 0.000 1.236 187 L HN 0.533 nan 8.230 nan 0.000 0.419 188 D N 6.415 126.838 120.400 0.039 0.000 2.440 188 D HA 0.351 4.990 4.640 -0.001 0.000 0.239 188 D C -0.663 175.607 176.300 -0.051 0.000 1.084 188 D CA -0.147 53.870 54.000 0.027 0.000 0.843 188 D CB 2.035 42.848 40.800 0.022 0.000 1.097 188 D HN 0.326 nan 8.370 nan 0.000 0.531 189 I N 3.415 123.971 120.570 -0.024 0.000 2.347 189 I HA 0.134 4.304 4.170 -0.001 0.000 0.283 189 I C 1.165 177.238 176.117 -0.073 0.000 1.058 189 I CA -0.261 60.975 61.300 -0.107 0.000 1.202 189 I CB 0.104 38.061 38.000 -0.072 0.000 1.386 189 I HN 0.408 nan 8.210 nan 0.000 0.475 190 K N 3.223 123.567 120.400 -0.092 0.000 1.751 190 K HA -0.256 4.063 4.320 -0.001 0.000 0.134 190 K C 0.251 176.826 176.600 -0.042 0.000 1.167 190 K CA 1.960 58.206 56.287 -0.067 0.000 0.330 190 K CB -0.616 31.841 32.500 -0.072 0.000 0.663 190 K HN 0.515 nan 8.250 nan 0.000 0.817 191 D N 1.738 122.115 120.400 -0.039 0.000 2.339 191 D HA 0.028 4.667 4.640 -0.001 0.000 0.217 191 D C 0.026 176.299 176.300 -0.046 0.000 1.050 191 D CA 0.443 54.421 54.000 -0.036 0.000 0.856 191 D CB 0.172 40.952 40.800 -0.034 0.000 0.922 191 D HN 0.262 nan 8.370 nan 0.000 0.518 192 E N 0.490 120.666 120.200 -0.040 0.000 2.216 192 E HA 0.321 4.671 4.350 -0.001 0.000 0.279 192 E C -0.785 175.770 176.600 -0.075 0.000 0.997 192 E CA -0.284 56.072 56.400 -0.074 0.000 0.817 192 E CB 1.092 30.776 29.700 -0.026 0.000 1.096 192 E HN -0.221 nan 8.360 nan 0.000 0.393 193 S N 2.342 117.916 115.700 -0.210 0.000 2.532 193 S HA 0.531 5.001 4.470 -0.001 0.000 0.301 193 S C -1.506 172.859 174.600 -0.393 0.000 1.083 193 S CA -0.534 57.574 58.200 -0.153 0.000 1.025 193 S CB 0.636 63.785 63.200 -0.086 0.000 1.056 193 S HN 0.366 nan 8.310 nan 0.000 0.494 194 Y N 1.152 121.459 120.300 0.010 0.000 2.421 194 Y HA 0.540 5.089 4.550 -0.001 0.000 0.339 194 Y C -0.710 175.229 175.900 0.065 0.000 0.996 194 Y CA -0.946 57.176 58.100 0.037 0.000 1.046 194 Y CB 1.340 39.832 38.460 0.054 0.000 1.226 194 Y HN 0.465 nan 8.280 nan 0.000 0.445 195 L N 4.791 126.124 121.223 0.183 0.000 2.276 195 L HA 0.741 5.081 4.340 -0.001 0.000 0.286 195 L C -1.351 175.623 176.870 0.173 0.000 1.024 195 L CA -0.698 54.236 54.840 0.156 0.000 0.826 195 L CB 0.790 42.890 42.059 0.069 0.000 1.211 195 L HN 0.415 nan 8.230 nan 0.000 0.422 196 V N 3.642 123.674 119.914 0.196 0.000 2.398 196 V HA 0.576 4.696 4.120 -0.001 0.000 0.286 196 V C 0.237 176.441 176.094 0.183 0.000 1.026 196 V CA -0.371 62.016 62.300 0.145 0.000 0.868 196 V CB 1.630 33.583 31.823 0.216 0.000 0.982 196 V HN 0.847 nan 8.190 nan 0.000 0.443 197 T N 3.912 118.551 114.554 0.140 0.000 2.770 197 T HA 0.557 4.906 4.350 -0.001 0.000 0.283 197 T C -2.297 172.521 174.700 0.196 0.000 0.988 197 T CA -2.125 60.096 62.100 0.202 0.000 0.957 197 T CB 1.878 70.885 68.868 0.232 0.000 0.930 197 T HN 0.488 nan 8.240 nan 0.000 0.443 198 P HA 0.237 nan 4.420 nan 0.000 0.271 198 P C -2.721 174.683 177.300 0.172 0.000 1.244 198 P CA -1.528 61.765 63.100 0.320 0.000 0.793 198 P CB -0.818 31.086 31.700 0.340 0.000 0.984 199 P HA 0.026 nan 4.420 nan 0.000 0.261 199 P C -1.481 175.779 177.300 -0.067 0.000 1.203 199 P CA -0.712 62.307 63.100 -0.134 0.000 0.767 199 P CB -0.537 30.738 31.700 -0.708 0.000 0.785 200 P HA -0.125 nan 4.420 nan 0.000 0.218 200 P C 0.047 177.297 177.300 -0.085 0.000 1.148 200 P CA 1.596 64.662 63.100 -0.057 0.000 0.822 200 P CB 0.514 32.188 31.700 -0.044 0.000 0.784 201 L N -0.538 120.630 121.223 -0.093 0.000 2.434 201 L HA 0.430 4.770 4.340 -0.001 0.000 0.260 201 L C -0.335 176.465 176.870 -0.116 0.000 0.983 201 L CA -0.984 53.784 54.840 -0.120 0.000 0.820 201 L CB 2.370 44.365 42.059 -0.106 0.000 1.361 201 L HN 0.113 nan 8.230 nan 0.000 0.410 202 H N 1.310 120.257 119.070 -0.205 0.000 2.865 202 H HA 0.546 5.102 4.556 -0.001 0.000 0.362 202 H C -1.533 173.703 175.328 -0.154 0.000 1.114 202 H CA -0.912 54.989 56.048 -0.245 0.000 1.208 202 H CB 2.080 31.645 29.762 -0.329 0.000 1.727 202 H HN 0.274 nan 8.280 nan 0.000 0.534 203 I N 2.378 122.917 120.570 -0.052 0.000 2.359 203 I HA 0.196 4.366 4.170 -0.001 0.000 0.294 203 I C 0.438 176.536 176.117 -0.031 0.000 0.987 203 I CA -0.084 61.182 61.300 -0.056 0.000 1.225 203 I CB 1.374 39.366 38.000 -0.014 0.000 1.366 203 I HN 0.542 nan 8.210 nan 0.000 0.466 204 E N 3.251 123.433 120.200 -0.030 0.000 2.264 204 E HA 0.618 4.968 4.350 -0.001 0.000 0.260 204 E C 0.259 176.890 176.600 0.050 0.000 0.961 204 E CA -0.877 55.526 56.400 0.005 0.000 0.834 204 E CB 1.354 31.049 29.700 -0.008 0.000 1.230 204 E HN 0.812 nan 8.360 nan 0.000 0.412 205 G N 1.191 110.041 108.800 0.084 0.000 2.338 205 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.296 205 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.296 205 G C 0.397 175.377 174.900 0.134 0.000 1.040 205 G CA 0.627 45.797 45.100 0.116 0.000 1.004 205 G HN 0.484 nan 8.290 nan 0.000 0.509 206 I N -1.119 119.559 120.570 0.180 0.000 2.512 206 I HA 0.217 4.387 4.170 -0.001 0.000 0.247 206 I C 1.538 177.743 176.117 0.146 0.000 1.094 206 I CA 0.450 61.866 61.300 0.193 0.000 1.427 206 I CB -0.162 38.028 38.000 0.318 0.000 1.149 206 I HN 0.133 nan 8.210 nan 0.000 0.438 207 L N 1.635 122.954 121.223 0.160 0.000 2.334 207 L HA 0.324 4.664 4.340 -0.001 0.000 0.277 207 L C -0.199 176.698 176.870 0.045 0.000 1.075 207 L CA -0.737 54.129 54.840 0.042 0.000 0.804 207 L CB 1.656 43.675 42.059 -0.066 0.000 1.174 207 L HN -0.148 nan 8.230 nan 0.000 0.438 208 V N 2.703 122.628 119.914 0.018 0.000 2.694 208 V HA -0.014 4.105 4.120 -0.001 0.000 0.306 208 V C 1.154 177.262 176.094 0.023 0.000 1.054 208 V CA 0.814 63.127 62.300 0.022 0.000 1.161 208 V CB 0.730 32.559 31.823 0.010 0.000 0.916 208 V HN 1.107 nan 8.190 nan 0.000 0.490 209 A N 3.599 126.437 122.820 0.031 0.000 2.799 209 A HA -0.126 4.194 4.320 -0.001 0.000 0.287 209 A C 0.586 178.188 177.584 0.030 0.000 1.484 209 A CA 1.023 53.079 52.037 0.031 0.000 0.813 209 A CB -1.924 17.094 19.000 0.030 0.000 1.009 209 A HN 1.993 nan 8.150 nan 0.000 0.545 210 S N -2.425 113.299 115.700 0.040 0.000 2.550 210 S HA 0.780 5.249 4.470 -0.001 0.000 0.270 210 S C -2.147 172.497 174.600 0.073 0.000 1.145 210 S CA -0.483 57.740 58.200 0.040 0.000 0.852 210 S CB 2.183 65.409 63.200 0.044 0.000 1.119 210 S HN 0.405 nan 8.310 nan 0.000 0.465 211 P HA 0.229 nan 4.420 nan 0.000 0.253 211 P C 0.059 177.414 177.300 0.091 0.000 1.459 211 P CA -0.353 62.780 63.100 0.055 0.000 0.908 211 P CB -0.543 31.159 31.700 0.003 0.000 1.470 212 F N 1.716 121.663 119.950 -0.005 0.000 2.637 212 F HA 0.014 4.541 4.527 -0.000 0.000 0.372 212 F C -0.255 175.573 175.800 0.048 0.000 1.107 212 F CA 0.637 58.644 58.000 0.012 0.000 1.325 212 F CB 0.417 39.418 39.000 0.002 0.000 1.016 212 F HN -0.228 nan 8.300 nan 0.000 0.593 213 V N 4.861 124.272 119.914 -0.838 0.000 2.876 213 V HA 0.425 4.544 4.120 -0.001 0.000 0.312 213 V C -0.793 174.825 176.094 -0.794 0.000 1.085 213 V CA -0.787 61.163 62.300 -0.582 0.000 0.945 213 V CB 1.902 33.616 31.823 -0.181 0.000 1.017 213 V HN 0.753 nan 8.190 nan 0.000 0.428 214 E N 2.241 122.204 120.200 -0.394 0.000 2.277 214 E HA 0.716 5.065 4.350 -0.001 0.000 0.266 214 E C -1.518 174.999 176.600 -0.138 0.000 0.901 214 E CA -0.463 55.834 56.400 -0.171 0.000 0.782 214 E CB 1.795 31.487 29.700 -0.014 0.000 1.228 214 E HN 0.558 nan 8.360 nan 0.000 0.424 215 L N 1.965 123.117 121.223 -0.118 0.000 2.334 215 L HA 0.652 4.992 4.340 -0.001 0.000 0.272 215 L C -0.013 176.796 176.870 -0.101 0.000 1.020 215 L CA -0.724 53.881 54.840 -0.391 0.000 0.812 215 L CB 1.759 43.151 42.059 -1.111 0.000 1.264 215 L HN 0.567 nan 8.230 nan 0.000 0.439 216 E N 0.338 120.477 120.200 -0.103 0.000 2.372 216 E HA 0.598 4.947 4.350 -0.001 0.000 0.279 216 E C -0.689 175.967 176.600 0.093 0.000 0.946 216 E CA -0.103 56.340 56.400 0.072 0.000 0.769 216 E CB 2.410 32.128 29.700 0.029 0.000 1.230 216 E HN 0.783 nan 8.360 nan 0.000 0.442 217 G N 2.291 111.177 108.800 0.144 0.000 2.631 217 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.504 217 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.504 217 G C -1.280 173.693 174.900 0.123 0.000 1.306 217 G CA -0.526 44.632 45.100 0.096 0.000 0.897 217 G HN 0.470 nan 8.290 nan 0.000 0.520 218 K N -0.132 120.256 120.400 -0.021 0.000 2.164 218 K HA 0.720 5.039 4.320 -0.001 0.000 0.258 218 K C -0.289 176.104 176.600 -0.345 0.000 0.951 218 K CA -0.560 55.594 56.287 -0.222 0.000 0.844 218 K CB 1.940 34.211 32.500 -0.381 0.000 1.099 218 K HN 0.449 nan 8.250 nan 0.000 0.435 219 S N 1.146 116.631 115.700 -0.359 0.000 2.568 219 S HA 0.579 5.049 4.470 -0.001 0.000 0.302 219 S C -1.424 172.878 174.600 -0.497 0.000 1.082 219 S CA -0.669 57.378 58.200 -0.256 0.000 1.009 219 S CB 0.580 63.856 63.200 0.128 0.000 1.069 219 S HN 0.383 nan 8.310 nan 0.000 0.500 220 Y N 0.692 120.965 120.300 -0.044 0.000 2.545 220 Y HA 0.620 5.170 4.550 -0.000 0.000 0.348 220 Y C -0.280 175.564 175.900 -0.094 0.000 1.002 220 Y CA -0.933 57.138 58.100 -0.048 0.000 1.039 220 Y CB 1.368 39.821 38.460 -0.012 0.000 1.271 220 Y HN 0.398 nan 8.280 nan 0.000 0.467 221 I N 2.706 123.362 120.570 0.143 0.000 2.466 221 I HA 0.220 4.390 4.170 -0.001 0.000 0.279 221 I C -1.081 175.146 176.117 0.183 0.000 1.033 221 I CA -0.635 60.741 61.300 0.126 0.000 1.123 221 I CB 1.558 39.617 38.000 0.098 0.000 1.237 221 I HN 0.476 nan 8.210 nan 0.000 0.460 222 Q N 4.765 124.650 119.800 0.141 0.000 2.340 222 Q HA 0.405 4.745 4.340 -0.001 0.000 0.259 222 Q C -0.552 175.450 176.000 0.003 0.000 0.964 222 Q CA -0.012 55.825 55.803 0.056 0.000 0.900 222 Q CB 1.731 30.453 28.738 -0.027 0.000 1.228 222 Q HN 0.612 nan 8.270 nan 0.000 0.449 223 S N 1.809 117.464 115.700 -0.075 0.000 2.646 223 S HA 0.345 4.815 4.470 -0.001 0.000 0.276 223 S C 0.713 175.137 174.600 -0.293 0.000 1.222 223 S CA 0.017 57.981 58.200 -0.392 0.000 1.014 223 S CB 0.765 63.687 63.200 -0.463 0.000 0.991 223 S HN 0.781 nan 8.310 nan 0.000 0.533 224 S N 1.349 116.830 115.700 -0.365 0.000 2.555 224 S HA -0.070 4.399 4.470 -0.001 0.000 0.230 224 S C 1.493 175.988 174.600 -0.174 0.000 0.978 224 S CA 1.019 59.087 58.200 -0.220 0.000 0.934 224 S CB -0.871 62.209 63.200 -0.200 0.000 0.766 224 S HN 0.894 nan 8.310 nan 0.000 0.533 225 T N -2.954 111.482 114.554 -0.197 0.000 3.129 225 T HA 0.510 4.860 4.350 -0.001 0.000 0.251 225 T C 1.638 176.293 174.700 -0.075 0.000 1.117 225 T CA 0.706 62.735 62.100 -0.118 0.000 1.034 225 T CB -0.227 68.581 68.868 -0.100 0.000 0.968 225 T HN 0.928 nan 8.240 nan 0.000 0.526 226 G N 1.454 110.205 108.800 -0.080 0.000 2.317 226 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.227 226 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.227 226 G C 0.043 174.938 174.900 -0.009 0.000 1.042 226 G CA -0.103 44.970 45.100 -0.045 0.000 0.623 226 G HN 0.626 nan 8.290 nan 0.000 0.509 227 L N 0.989 122.220 121.223 0.013 0.000 2.514 227 L HA 0.468 4.808 4.340 -0.001 0.000 0.280 227 L C 0.375 177.303 176.870 0.097 0.000 1.223 227 L CA -0.116 54.768 54.840 0.074 0.000 0.864 227 L CB 0.742 42.862 42.059 0.101 0.000 1.118 227 L HN 0.386 nan 8.230 nan 0.000 0.494 228 L N 4.273 125.585 121.223 0.149 0.000 2.410 228 L HA 0.487 4.826 4.340 -0.001 0.000 0.270 228 L C -0.934 176.090 176.870 0.258 0.000 0.983 228 L CA -0.119 54.825 54.840 0.174 0.000 0.822 228 L CB 1.744 43.879 42.059 0.126 0.000 1.285 228 L HN 0.693 nan 8.230 nan 0.000 0.409 229 C N 5.246 124.685 119.300 0.231 0.000 2.351 229 C HA 0.851 5.311 4.460 -0.001 0.000 0.326 229 C C -0.563 174.569 174.990 0.236 0.000 1.272 229 C CA -0.417 58.730 59.018 0.215 0.000 1.650 229 C CB 0.805 28.631 27.740 0.142 0.000 2.257 229 C HN 0.651 nan 8.230 nan 0.000 0.505 230 V N 7.649 127.717 119.914 0.258 0.000 2.384 230 V HA 0.473 4.593 4.120 -0.001 0.000 0.287 230 V C -0.364 175.749 176.094 0.033 0.000 1.020 230 V CA -0.234 62.175 62.300 0.182 0.000 0.850 230 V CB 1.307 33.310 31.823 0.301 0.000 0.987 230 V HN 0.722 nan 8.190 nan 0.000 0.436 231 I N 4.359 124.854 120.570 -0.124 0.000 2.354 231 I HA 0.385 4.555 4.170 -0.001 0.000 0.286 231 I C 0.275 176.146 176.117 -0.410 0.000 1.007 231 I CA 0.031 61.199 61.300 -0.221 0.000 1.167 231 I CB 1.303 39.151 38.000 -0.254 0.000 1.320 231 I HN 0.552 nan 8.210 nan 0.000 0.458 232 E N 5.867 125.890 120.200 -0.296 0.000 2.156 232 E HA 0.423 4.773 4.350 -0.001 0.000 0.279 232 E C -1.161 175.276 176.600 -0.271 0.000 0.965 232 E CA -0.586 55.674 56.400 -0.233 0.000 0.789 232 E CB 1.362 31.024 29.700 -0.063 0.000 1.098 232 E HN 0.298 nan 8.360 nan 0.000 0.397 233 F N 1.084 121.083 119.950 0.081 0.000 2.394 233 F HA 0.040 4.567 4.527 -0.001 0.000 0.340 233 F C 1.925 177.791 175.800 0.109 0.000 1.105 233 F CA -0.417 57.660 58.000 0.130 0.000 1.124 233 F CB 1.411 40.437 39.000 0.042 0.000 1.145 233 F HN 0.463 nan 8.300 nan 0.000 0.505 234 S N 1.719 117.611 115.700 0.320 0.000 2.400 234 S HA 0.119 4.589 4.470 -0.001 0.000 0.232 234 S C 1.188 175.886 174.600 0.165 0.000 1.025 234 S CA 0.424 58.742 58.200 0.197 0.000 0.993 234 S CB -1.061 62.246 63.200 0.178 0.000 0.808 234 S HN 1.429 nan 8.310 nan 0.000 0.478 240 D N 1.393 121.842 120.400 0.082 0.000 2.564 240 D HA 0.717 5.357 4.640 -0.001 0.000 0.273 240 D C 1.102 177.441 176.300 0.064 0.000 1.192 240 D CA 1.012 55.049 54.000 0.063 0.000 1.080 240 D CB 0.831 41.662 40.800 0.053 0.000 1.160 240 D HN 0.827 nan 8.370 nan 0.000 0.607 241 G N -0.053 108.773 108.800 0.044 0.000 2.649 241 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.281 241 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.281 241 G C -0.278 174.642 174.900 0.033 0.000 1.325 241 G CA 0.107 45.227 45.100 0.034 0.000 0.916 241 G HN 0.550 nan 8.290 nan 0.000 0.562 242 K N -0.014 120.397 120.400 0.019 0.000 2.339 242 K HA 0.192 4.512 4.320 -0.001 0.000 0.260 242 K C 0.725 177.343 176.600 0.031 0.000 0.989 242 K CA 0.236 56.526 56.287 0.005 0.000 0.888 242 K CB 0.390 32.878 32.500 -0.020 0.000 0.983 242 K HN 0.531 nan 8.250 nan 0.000 0.515 243 K N 1.910 122.315 120.400 0.007 0.000 2.339 243 K HA -0.028 4.292 4.320 -0.001 0.000 0.286 243 K C -0.538 176.055 176.600 -0.011 0.000 1.050 243 K CA 0.011 56.325 56.287 0.046 0.000 0.956 243 K CB 0.235 32.724 32.500 -0.018 0.000 0.990 243 K HN 0.523 nan 8.250 nan 0.000 0.475 244 N N 1.405 120.130 118.700 0.041 0.000 2.727 244 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 244 N C -0.902 174.492 175.510 -0.195 0.000 1.048 244 N CA 1.322 54.225 53.050 -0.245 0.000 0.714 244 N CB -1.383 36.506 38.487 -0.996 0.000 0.959 244 N HN 0.669 nan 8.380 nan 0.000 0.544 245 S N -0.532 115.255 115.700 0.145 0.000 2.687 245 S HA 0.865 5.335 4.470 -0.001 0.000 0.283 245 S C -0.089 174.780 174.600 0.448 0.000 1.170 245 S CA -0.795 57.519 58.200 0.190 0.000 1.008 245 S CB 2.123 65.349 63.200 0.042 0.000 1.026 245 S HN 0.369 nan 8.310 nan 0.000 0.541 246 F N -1.670 118.389 119.950 0.182 0.000 2.685 246 F HA 0.863 5.389 4.527 -0.001 0.000 0.315 246 F C -1.132 174.650 175.800 -0.029 0.000 1.126 246 F CA -1.233 56.798 58.000 0.050 0.000 0.950 246 F CB 1.605 40.600 39.000 -0.008 0.000 1.360 246 F HN 0.627 nan 8.300 nan 0.000 0.469 247 K N 1.793 122.189 120.400 -0.008 0.000 2.640 247 K HA 0.775 5.095 4.320 -0.001 0.000 0.245 247 K C -1.535 175.097 176.600 0.055 0.000 0.962 247 K CA -0.450 55.786 56.287 -0.086 0.000 0.896 247 K CB 1.683 34.146 32.500 -0.063 0.000 1.147 247 K HN 1.035 nan 8.250 nan 0.000 0.445 248 A N 4.192 127.076 122.820 0.107 0.000 2.317 248 A HA 0.736 5.055 4.320 -0.001 0.000 0.327 248 A C -0.792 176.794 177.584 0.002 0.000 1.178 248 A CA -0.701 51.397 52.037 0.100 0.000 0.817 248 A CB 0.725 19.835 19.000 0.184 0.000 1.189 248 A HN 0.739 nan 8.150 nan 0.000 0.489 249 R N 1.900 122.404 120.500 0.007 0.000 2.532 249 R HA 0.504 4.843 4.340 -0.001 0.000 0.297 249 R C -1.396 174.803 176.300 -0.169 0.000 0.984 249 R CA -0.441 55.580 56.100 -0.133 0.000 0.884 249 R CB 2.023 32.211 30.300 -0.186 0.000 1.182 249 R HN 0.703 nan 8.270 nan 0.000 0.442 250 I N 3.760 124.202 120.570 -0.214 0.000 2.336 250 I HA 0.315 4.485 4.170 -0.001 0.000 0.292 250 I C -0.716 175.247 176.117 -0.257 0.000 0.991 250 I CA -0.571 60.685 61.300 -0.073 0.000 1.227 250 I CB 0.744 38.801 38.000 0.094 0.000 1.366 250 I HN 0.425 nan 8.210 nan 0.000 0.466 251 Y N 4.382 124.732 120.300 0.084 0.000 2.528 251 Y HA 0.301 4.851 4.550 -0.001 0.000 0.335 251 Y C 1.092 177.021 175.900 0.049 0.000 1.093 251 Y CA -0.853 57.279 58.100 0.054 0.000 1.134 251 Y CB 1.362 39.845 38.460 0.039 0.000 1.253 251 Y HN 0.422 nan 8.280 nan 0.000 0.478 252 K N 0.164 120.677 120.400 0.190 0.000 2.148 252 K HA -0.091 4.229 4.320 -0.001 0.000 0.204 252 K C -0.772 175.881 176.600 0.089 0.000 1.050 252 K CA 1.791 58.142 56.287 0.108 0.000 0.942 252 K CB 0.107 32.649 32.500 0.071 0.000 0.724 252 K HN 0.921 nan 8.250 nan 0.000 0.446 253 D N -3.809 116.650 120.400 0.098 0.000 2.639 253 D HA 0.012 4.652 4.640 -0.001 0.000 0.271 253 D C 0.190 176.494 176.300 0.006 0.000 1.254 253 D CA -0.649 53.374 54.000 0.038 0.000 0.810 253 D CB 0.928 41.732 40.800 0.007 0.000 1.351 253 D HN -0.200 nan 8.370 nan 0.000 0.427 254 S N -0.438 115.235 115.700 -0.045 0.000 2.374 254 S HA -0.230 4.240 4.470 -0.001 0.000 0.227 254 S C 1.410 175.931 174.600 -0.131 0.000 1.037 254 S CA 1.765 59.903 58.200 -0.105 0.000 1.024 254 S CB -0.412 62.716 63.200 -0.120 0.000 0.861 254 S HN 0.463 nan 8.310 nan 0.000 0.456 255 K N 0.344 120.691 120.400 -0.090 0.000 2.063 255 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 255 K C 1.761 178.301 176.600 -0.100 0.000 1.048 255 K CA 1.815 58.051 56.287 -0.084 0.000 0.928 255 K CB -0.396 32.074 32.500 -0.051 0.000 0.713 255 K HN 0.369 nan 8.250 nan 0.000 0.442 256 D N 0.433 120.790 120.400 -0.071 0.000 2.178 256 D HA -0.128 4.511 4.640 -0.001 0.000 0.201 256 D C 1.853 177.987 176.300 -0.275 0.000 0.980 256 D CA 1.407 55.385 54.000 -0.036 0.000 0.842 256 D CB -0.156 40.723 40.800 0.131 0.000 0.948 256 D HN 0.194 nan 8.370 nan 0.000 0.472 257 S N -0.141 115.180 115.700 -0.632 0.000 2.528 257 S HA -0.121 4.348 4.470 -0.001 0.000 0.244 257 S C 1.581 175.816 174.600 -0.609 0.000 0.982 257 S CA 0.582 58.002 58.200 -1.301 0.000 0.953 257 S CB -0.096 62.618 63.200 -0.811 0.000 0.754 257 S HN 0.041 nan 8.310 nan 0.000 0.529 258 K N 1.208 121.425 120.400 -0.305 0.000 2.366 258 K HA 0.192 4.511 4.320 -0.001 0.000 0.198 258 K C 0.213 176.766 176.600 -0.078 0.000 1.044 258 K CA 0.422 56.620 56.287 -0.148 0.000 0.973 258 K CB -0.251 32.191 32.500 -0.096 0.000 0.767 258 K HN 0.504 nan 8.250 nan 0.000 0.475 259 D N 0.574 120.944 120.400 -0.051 0.000 2.505 259 D HA 0.138 4.778 4.640 -0.001 0.000 0.250 259 D C 0.195 176.599 176.300 0.174 0.000 1.164 259 D CA -0.126 53.901 54.000 0.045 0.000 0.870 259 D CB 1.109 41.934 40.800 0.043 0.000 1.160 259 D HN -0.178 nan 8.370 nan 0.000 0.549 260 K N 1.777 122.280 120.400 0.173 0.000 2.211 260 K HA -0.183 4.137 4.320 -0.001 0.000 0.204 260 K C 1.521 178.213 176.600 0.153 0.000 1.047 260 K CA 0.882 57.310 56.287 0.235 0.000 0.935 260 K CB 0.346 32.926 32.500 0.134 0.000 0.728 260 K HN 0.493 nan 8.250 nan 0.000 0.452 261 E N 1.561 121.823 120.200 0.103 0.000 2.274 261 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 261 E C 0.831 177.458 176.600 0.046 0.000 0.996 261 E CA 0.812 57.243 56.400 0.051 0.000 0.840 261 E CB 0.238 29.959 29.700 0.035 0.000 0.772 261 E HN 0.217 nan 8.360 nan 0.000 0.491 262 K N 0.448 120.915 120.400 0.112 0.000 2.505 262 K HA 0.157 4.477 4.320 -0.001 0.000 0.192 262 K C 0.193 176.815 176.600 0.036 0.000 1.025 262 K CA -0.006 56.342 56.287 0.103 0.000 1.086 262 K CB 0.547 33.147 32.500 0.167 0.000 0.840 262 K HN 0.016 nan 8.250 nan 0.000 0.514 263 A N 1.338 124.093 122.820 -0.109 0.000 2.488 263 A HA 0.104 4.424 4.320 -0.001 0.000 0.249 263 A C 1.156 178.582 177.584 -0.264 0.000 1.083 263 A CA -0.188 51.596 52.037 -0.423 0.000 0.768 263 A CB 0.095 18.813 19.000 -0.471 0.000 1.017 263 A HN 0.269 nan 8.150 nan 0.000 0.496 264 L N 1.295 122.362 121.223 -0.259 0.000 2.109 264 L HA -0.007 4.333 4.340 -0.001 0.000 0.207 264 L C -0.073 176.496 176.870 -0.502 0.000 1.086 264 L CA 1.090 55.746 54.840 -0.305 0.000 0.760 264 L CB -0.422 41.529 42.059 -0.179 0.000 0.910 264 L HN 0.749 nan 8.230 nan 0.000 0.437 265 Y N -1.877 118.332 120.300 -0.152 0.000 2.588 265 Y HA 0.409 4.959 4.550 -0.001 0.000 0.343 265 Y C -0.355 175.440 175.900 -0.176 0.000 1.065 265 Y CA -0.996 57.025 58.100 -0.132 0.000 1.038 265 Y CB 2.094 40.489 38.460 -0.108 0.000 1.297 265 Y HN -0.375 nan 8.280 nan 0.000 0.467 266 T N 3.524 118.090 114.554 0.021 0.000 2.937 266 T HA 0.610 4.960 4.350 -0.001 0.000 0.297 266 T C -0.878 173.763 174.700 -0.098 0.000 0.991 266 T CA -0.485 61.578 62.100 -0.062 0.000 0.990 266 T CB 0.528 69.355 68.868 -0.068 0.000 0.991 266 T HN 0.353 nan 8.240 nan 0.000 0.440 267 I N 3.175 123.656 120.570 -0.148 0.000 2.404 267 I HA 0.672 4.842 4.170 -0.001 0.000 0.293 267 I C 0.197 176.157 176.117 -0.262 0.000 0.992 267 I CA -0.647 60.522 61.300 -0.219 0.000 1.149 267 I CB 1.855 39.653 38.000 -0.338 0.000 1.315 267 I HN 0.702 nan 8.210 nan 0.000 0.446 268 S N 3.597 119.090 115.700 -0.345 0.000 2.556 268 S HA 1.000 5.469 4.470 -0.001 0.000 0.271 268 S C -0.498 173.787 174.600 -0.524 0.000 1.135 268 S CA -0.159 57.715 58.200 -0.544 0.000 0.858 268 S CB 2.490 65.512 63.200 -0.296 0.000 1.114 268 S HN 1.216 nan 8.310 nan 0.000 0.468 269 G N 0.997 109.405 108.800 -0.653 0.000 2.334 269 G HA2 0.363 4.323 3.960 -0.001 0.000 0.249 269 G HA3 0.363 4.323 3.960 -0.001 0.000 0.249 269 G C -2.261 172.504 174.900 -0.225 0.000 1.327 269 G CA -0.778 44.126 45.100 -0.327 0.000 0.979 269 G HN 0.825 nan 8.290 nan 0.000 0.471 270 Q N 1.014 120.816 119.800 0.003 0.000 2.307 270 Q HA 0.445 4.785 4.340 -0.001 0.000 0.262 270 Q C 0.991 177.175 176.000 0.306 0.000 0.961 270 Q CA -0.677 55.155 55.803 0.048 0.000 0.882 270 Q CB 1.022 29.702 28.738 -0.096 0.000 1.264 270 Q HN 0.751 nan 8.270 nan 0.000 0.446 271 W N 1.337 122.925 121.300 0.479 0.000 2.937 271 W HA 0.052 4.712 4.660 -0.000 0.000 0.245 271 W C 0.332 176.940 176.519 0.148 0.000 1.306 271 W CA 0.814 58.326 57.345 0.278 0.000 1.470 271 W CB -0.279 29.203 29.460 0.036 0.000 1.132 271 W HN 0.625 nan 8.180 nan 0.000 0.675 272 S N -0.547 115.011 115.700 -0.237 0.000 2.523 272 S HA 0.425 4.895 4.470 -0.001 0.000 0.217 272 S C 1.055 175.601 174.600 -0.091 0.000 0.996 272 S CA 0.345 58.424 58.200 -0.201 0.000 0.921 272 S CB 0.204 63.067 63.200 -0.562 0.000 0.829 272 S HN 0.181 nan 8.310 nan 0.000 0.495 273 G N 1.629 110.397 108.800 -0.054 0.000 3.259 273 G HA2 0.586 4.545 3.960 -0.001 0.000 0.193 273 G HA3 0.586 4.545 3.960 -0.001 0.000 0.193 273 G C -0.461 174.434 174.900 -0.008 0.000 1.457 273 G CA 0.191 45.265 45.100 -0.044 0.000 0.771 273 G HN 0.731 nan 8.290 nan 0.000 0.765 274 S N -0.853 114.851 115.700 0.008 0.000 2.634 274 S HA 0.801 5.270 4.470 -0.001 0.000 0.296 274 S C -0.544 174.116 174.600 0.101 0.000 1.104 274 S CA 0.257 58.478 58.200 0.034 0.000 0.920 274 S CB 1.923 65.113 63.200 -0.017 0.000 1.111 274 S HN 1.560 nan 8.310 nan 0.000 0.493 275 S N -0.055 115.745 115.700 0.168 0.000 2.579 275 S HA 0.772 5.242 4.470 -0.001 0.000 0.272 275 S C -1.310 173.394 174.600 0.174 0.000 1.141 275 S CA -1.141 57.147 58.200 0.146 0.000 0.843 275 S CB 1.371 64.732 63.200 0.269 0.000 1.122 275 S HN 1.123 nan 8.310 nan 0.000 0.468 276 K N 0.380 120.826 120.400 0.077 0.000 2.340 276 K HA 0.807 5.127 4.320 -0.001 0.000 0.244 276 K C -1.291 175.330 176.600 0.035 0.000 0.973 276 K CA -1.020 55.323 56.287 0.092 0.000 0.828 276 K CB 1.958 34.481 32.500 0.038 0.000 1.226 276 K HN 0.721 nan 8.250 nan 0.000 0.437 277 I N 1.974 122.583 120.570 0.064 0.000 2.646 277 I HA 0.489 4.658 4.170 -0.001 0.000 0.299 277 I C -1.511 174.635 176.117 0.049 0.000 1.036 277 I CA -1.402 59.893 61.300 -0.009 0.000 1.074 277 I CB 1.413 39.393 38.000 -0.033 0.000 1.258 277 I HN 0.675 nan 8.210 nan 0.000 0.430 278 I N 6.801 127.400 120.570 0.048 0.000 2.478 278 I HA 0.322 4.492 4.170 -0.001 0.000 0.287 278 I C -0.561 175.606 176.117 0.083 0.000 1.042 278 I CA -0.734 60.599 61.300 0.056 0.000 1.067 278 I CB 1.924 39.928 38.000 0.006 0.000 1.233 278 I HN 0.514 nan 8.210 nan 0.000 0.431 279 K N 4.943 125.395 120.400 0.086 0.000 2.237 279 K HA 0.573 4.892 4.320 -0.001 0.000 0.270 279 K C 0.904 177.423 176.600 -0.135 0.000 1.015 279 K CA 0.723 56.968 56.287 -0.069 0.000 0.949 279 K CB 1.009 33.479 32.500 -0.050 0.000 0.976 279 K HN 0.766 nan 8.250 nan 0.000 0.472 280 A N 3.225 125.901 122.820 -0.240 0.000 5.395 280 A HA -0.319 4.000 4.320 -0.001 0.000 0.332 280 A C 0.398 177.926 177.584 -0.093 0.000 1.754 280 A CA 1.792 53.734 52.037 -0.158 0.000 0.716 280 A CB -1.388 17.537 19.000 -0.125 0.000 1.411 280 A HN 0.988 nan 8.150 nan 0.000 0.398 281 N N 0.352 119.014 118.700 -0.064 0.000 2.187 281 N HA 0.112 4.852 4.740 -0.001 0.000 0.212 281 N C -0.518 174.975 175.510 -0.029 0.000 1.152 281 N CA 0.422 53.447 53.050 -0.042 0.000 0.872 281 N CB 0.420 38.887 38.487 -0.033 0.000 1.025 281 N HN 0.620 nan 8.380 nan 0.000 0.514 282 K N 1.676 122.059 120.400 -0.028 0.000 2.146 282 K HA 0.074 4.394 4.320 -0.001 0.000 0.220 282 K C 0.903 177.500 176.600 -0.005 0.000 1.227 282 K CA 0.184 56.463 56.287 -0.013 0.000 1.185 282 K CB 0.123 32.618 32.500 -0.009 0.000 1.333 282 K HN 0.068 nan 8.250 nan 0.000 0.242 283 K N 1.256 121.651 120.400 -0.008 0.000 2.362 283 K HA -0.125 4.195 4.320 -0.001 0.000 0.200 283 K C 0.963 177.563 176.600 0.001 0.000 1.046 283 K CA 0.845 57.129 56.287 -0.005 0.000 0.952 283 K CB 0.199 32.693 32.500 -0.010 0.000 0.753 283 K HN 0.414 nan 8.250 nan 0.000 0.466 284 E N 0.907 121.108 120.200 0.002 0.000 2.478 284 E HA -0.114 4.236 4.350 -0.001 0.000 0.198 284 E C 0.113 176.720 176.600 0.011 0.000 1.046 284 E CA 0.788 57.191 56.400 0.005 0.000 0.870 284 E CB 0.173 29.875 29.700 0.003 0.000 0.818 284 E HN 0.411 nan 8.360 nan 0.000 0.527 285 E N 0.777 120.987 120.200 0.017 0.000 3.385 285 E HA 0.160 4.510 4.350 -0.001 0.000 0.206 285 E C -0.758 175.866 176.600 0.039 0.000 0.997 285 E CA -0.177 56.240 56.400 0.028 0.000 1.278 285 E CB 0.966 30.685 29.700 0.033 0.000 1.165 285 E HN -0.100 nan 8.360 nan 0.000 0.452 286 S N 1.376 117.095 115.700 0.032 0.000 2.549 286 S HA 0.227 4.697 4.470 -0.001 0.000 0.283 286 S C 0.254 174.886 174.600 0.053 0.000 1.320 286 S CA 0.097 58.321 58.200 0.039 0.000 1.058 286 S CB 0.824 64.038 63.200 0.022 0.000 0.882 286 S HN 0.262 nan 8.310 nan 0.000 0.498 287 R N 0.896 121.443 120.500 0.078 0.000 2.803 287 R HA 0.432 4.772 4.340 -0.001 0.000 0.276 287 R C -1.049 175.323 176.300 0.120 0.000 0.978 287 R CA -1.043 55.113 56.100 0.092 0.000 0.939 287 R CB 1.252 31.618 30.300 0.110 0.000 1.179 287 R HN 0.438 nan 8.270 nan 0.000 0.472 288 L N 2.808 124.093 121.223 0.102 0.000 2.433 288 L HA 0.066 4.405 4.340 -0.001 0.000 0.275 288 L C 0.384 177.366 176.870 0.186 0.000 1.128 288 L CA 0.504 55.413 54.840 0.115 0.000 0.875 288 L CB 0.158 42.250 42.059 0.056 0.000 1.171 288 L HN 0.634 nan 8.230 nan 0.000 0.463 289 F N 5.838 125.835 119.950 0.080 0.000 2.123 289 F HA 0.122 4.649 4.527 -0.001 0.000 0.289 289 F C -0.125 175.798 175.800 0.204 0.000 1.099 289 F CA 0.680 58.755 58.000 0.124 0.000 1.234 289 F CB 0.080 39.165 39.000 0.142 0.000 1.034 289 F HN 0.458 nan 8.300 nan 0.000 0.479 290 Y N 0.205 120.550 120.300 0.075 0.000 2.513 290 Y HA 0.387 4.937 4.550 -0.001 0.000 0.340 290 Y C -1.856 174.060 175.900 0.028 0.000 1.055 290 Y CA -1.820 56.241 58.100 -0.065 0.000 1.020 290 Y CB 1.155 39.554 38.460 -0.102 0.000 1.301 290 Y HN -0.011 nan 8.280 nan 0.000 0.453 291 D N 3.798 123.704 120.400 -0.823 0.000 2.471 291 D HA 0.489 5.129 4.640 -0.001 0.000 0.245 291 D C 0.276 176.026 176.300 -0.917 0.000 1.116 291 D CA 0.174 53.815 54.000 -0.598 0.000 0.853 291 D CB 1.808 42.421 40.800 -0.311 0.000 1.123 291 D HN 0.753 nan 8.370 nan 0.000 0.540 292 A N 3.492 125.957 122.820 -0.591 0.000 2.070 292 A HA 0.034 4.354 4.320 -0.001 0.000 0.220 292 A C 2.071 179.574 177.584 -0.136 0.000 1.159 292 A CA 1.629 53.502 52.037 -0.274 0.000 0.656 292 A CB -0.416 18.602 19.000 0.031 0.000 0.800 292 A HN 0.634 nan 8.150 nan 0.000 0.453 293 A N 0.003 122.735 122.820 -0.146 0.000 1.940 293 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 293 A C 1.651 179.215 177.584 -0.033 0.000 1.176 293 A CA 0.944 52.940 52.037 -0.069 0.000 0.631 293 A CB -0.483 18.475 19.000 -0.070 0.000 0.814 293 A HN 0.513 nan 8.150 nan 0.000 0.446 294 R N 0.864 121.322 120.500 -0.071 0.000 2.501 294 R HA 0.032 4.371 4.340 -0.001 0.000 0.319 294 R C -1.051 175.330 176.300 0.135 0.000 0.913 294 R CA 0.391 56.498 56.100 0.011 0.000 1.104 294 R CB -0.365 29.919 30.300 -0.027 0.000 0.901 294 R HN 0.462 nan 8.270 nan 0.000 0.407 295 I N 8.184 128.817 120.570 0.104 0.000 2.342 295 I HA 0.216 4.385 4.170 -0.001 0.000 0.291 295 I C -1.391 174.786 176.117 0.100 0.000 1.010 295 I CA -2.185 59.178 61.300 0.105 0.000 1.308 295 I CB 1.389 39.437 38.000 0.080 0.000 1.400 295 I HN 0.505 nan 8.210 nan 0.000 0.488 296 P HA 0.075 nan 4.420 nan 0.000 0.268 296 P C 0.176 177.474 177.300 -0.003 0.000 1.204 296 P CA -0.179 62.909 63.100 -0.021 0.000 0.768 296 P CB 1.506 33.056 31.700 -0.249 0.000 0.842 297 A N 3.389 126.204 122.820 -0.008 0.000 1.898 297 A HA -0.031 4.289 4.320 -0.001 0.000 0.214 297 A C 1.114 178.524 177.584 -0.289 0.000 1.183 297 A CA 0.914 52.903 52.037 -0.080 0.000 0.622 297 A CB -0.387 18.627 19.000 0.023 0.000 0.824 297 A HN 0.548 nan 8.150 nan 0.000 0.444 298 E N 1.146 121.272 120.200 -0.123 0.000 2.289 298 E HA 0.264 4.614 4.350 -0.001 0.000 0.278 298 E C -0.894 175.698 176.600 -0.014 0.000 1.032 298 E CA -0.066 56.298 56.400 -0.060 0.000 0.854 298 E CB 0.401 30.206 29.700 0.174 0.000 1.046 298 E HN 0.487 nan 8.360 nan 0.000 0.409 299 H N 1.445 120.650 119.070 0.225 0.000 2.573 299 H HA 0.237 4.793 4.556 -0.001 0.000 0.351 299 H C -0.164 175.184 175.328 0.033 0.000 1.163 299 H CA -0.969 55.177 56.048 0.164 0.000 1.205 299 H CB 1.246 31.050 29.762 0.069 0.000 1.605 299 H HN 0.288 nan 8.280 nan 0.000 0.525 300 L N 2.579 123.763 121.223 -0.065 0.000 2.410 300 L HA 0.076 4.416 4.340 -0.001 0.000 0.273 300 L C 0.537 177.214 176.870 -0.321 0.000 1.144 300 L CA 0.017 54.467 54.840 -0.651 0.000 0.863 300 L CB -0.029 41.596 42.059 -0.722 0.000 1.140 300 L HN 0.524 nan 8.230 nan 0.000 0.463 301 N N 5.010 123.513 118.700 -0.329 0.000 2.408 301 N HA 0.244 4.984 4.740 -0.001 0.000 0.257 301 N C -1.499 173.879 175.510 -0.220 0.000 1.064 301 N CA -0.231 52.713 53.050 -0.177 0.000 0.952 301 N CB 0.915 39.339 38.487 -0.107 0.000 1.093 301 N HN 0.451 nan 8.380 nan 0.000 0.490 302 V N 4.162 123.984 119.914 -0.154 0.000 2.604 302 V HA 0.297 4.416 4.120 -0.001 0.000 0.305 302 V C 0.271 176.321 176.094 -0.073 0.000 1.043 302 V CA -1.083 61.123 62.300 -0.157 0.000 0.888 302 V CB 1.738 33.489 31.823 -0.121 0.000 0.995 302 V HN 0.613 nan 8.190 nan 0.000 0.429 303 K N 4.978 125.342 120.400 -0.060 0.000 2.276 303 K HA 0.405 4.725 4.320 -0.001 0.000 0.259 303 K C -2.463 174.136 176.600 -0.002 0.000 1.001 303 K CA -1.163 55.112 56.287 -0.020 0.000 0.927 303 K CB 0.259 32.757 32.500 -0.003 0.000 0.969 303 K HN 0.411 nan 8.250 nan 0.000 0.490 304 P HA -0.026 nan 4.420 nan 0.000 0.272 304 P C 0.881 178.178 177.300 -0.005 0.000 1.240 304 P CA -0.278 62.819 63.100 -0.004 0.000 0.791 304 P CB 0.618 32.312 31.700 -0.011 0.000 0.978 305 L N 0.490 121.695 121.223 -0.030 0.000 2.043 305 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 305 L C 2.414 179.264 176.870 -0.034 0.000 1.075 305 L CA 1.944 56.758 54.840 -0.045 0.000 0.752 305 L CB -0.982 40.990 42.059 -0.146 0.000 0.891 305 L HN 0.359 nan 8.230 nan 0.000 0.432 306 E N 0.672 120.848 120.200 -0.040 0.000 2.130 306 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 306 E C 1.292 177.888 176.600 -0.006 0.000 0.998 306 E CA 1.603 57.987 56.400 -0.028 0.000 0.806 306 E CB -0.241 29.444 29.700 -0.025 0.000 0.738 306 E HN 0.665 nan 8.360 nan 0.000 0.459 307 E N 0.410 120.615 120.200 0.008 0.000 2.496 307 E HA 0.156 4.506 4.350 -0.001 0.000 0.202 307 E C -0.225 176.407 176.600 0.053 0.000 1.021 307 E CA -0.191 56.225 56.400 0.026 0.000 1.015 307 E CB 0.212 29.928 29.700 0.026 0.000 1.102 307 E HN 0.149 nan 8.360 nan 0.000 0.452 308 Q N 1.273 121.106 119.800 0.055 0.000 2.282 308 Q HA 0.159 4.499 4.340 -0.001 0.000 0.260 308 Q C -0.612 175.463 176.000 0.125 0.000 0.964 308 Q CA -0.795 55.069 55.803 0.102 0.000 0.880 308 Q CB 1.495 30.292 28.738 0.098 0.000 1.286 308 Q HN 0.334 nan 8.270 nan 0.000 0.445 309 H N 4.599 123.721 119.070 0.087 0.000 2.707 309 H HA 0.063 4.619 4.556 -0.001 0.000 0.359 309 H C -1.729 173.650 175.328 0.086 0.000 1.113 309 H CA -1.540 54.559 56.048 0.085 0.000 1.422 309 H CB 1.277 31.109 29.762 0.116 0.000 1.443 309 H HN 0.465 nan 8.280 nan 0.000 0.591 310 P HA -0.089 nan 4.420 nan 0.000 0.236 310 P C 1.305 178.742 177.300 0.228 0.000 1.172 310 P CA 0.691 63.807 63.100 0.027 0.000 0.759 310 P CB 0.239 31.858 31.700 -0.136 0.000 0.843 311 L N -0.794 120.738 121.223 0.515 0.000 2.477 311 L HA 0.096 4.436 4.340 -0.001 0.000 0.220 311 L C 1.191 178.271 176.870 0.351 0.000 1.106 311 L CA 0.237 55.325 54.840 0.415 0.000 0.851 311 L CB -0.314 41.914 42.059 0.281 0.000 0.994 311 L HN -0.051 nan 8.230 nan 0.000 0.462 312 E N -0.149 120.249 120.200 0.330 0.000 2.384 312 E HA 0.019 4.368 4.350 -0.001 0.000 0.266 312 E C 0.913 177.716 176.600 0.337 0.000 1.012 312 E CA -0.231 56.349 56.400 0.300 0.000 0.901 312 E CB 1.202 31.060 29.700 0.264 0.000 0.967 312 E HN 0.079 nan 8.360 nan 0.000 0.435 313 S N 3.232 119.151 115.700 0.366 0.000 2.404 313 S HA -0.281 4.188 4.470 -0.001 0.000 0.230 313 S C 1.693 176.553 174.600 0.433 0.000 1.046 313 S CA 1.515 59.959 58.200 0.405 0.000 1.135 313 S CB -0.181 63.166 63.200 0.245 0.000 1.056 313 S HN 0.517 nan 8.310 nan 0.000 0.426 314 R N 0.963 121.674 120.500 0.351 0.000 2.117 314 R HA -0.119 4.221 4.340 -0.001 0.000 0.243 314 R C 2.473 178.961 176.300 0.314 0.000 1.143 314 R CA 1.605 57.890 56.100 0.309 0.000 0.968 314 R CB -0.242 30.214 30.300 0.261 0.000 0.863 314 R HN 0.389 nan 8.270 nan 0.000 0.444 315 K N 0.325 120.878 120.400 0.256 0.000 2.103 315 K HA -0.030 4.290 4.320 -0.001 0.000 0.204 315 K C 2.007 178.726 176.600 0.198 0.000 1.052 315 K CA 1.131 57.530 56.287 0.186 0.000 0.945 315 K CB 0.013 32.590 32.500 0.128 0.000 0.722 315 K HN 0.152 nan 8.250 nan 0.000 0.443 316 A N -0.098 122.857 122.820 0.226 0.000 1.929 316 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 316 A C 1.290 178.869 177.584 -0.008 0.000 1.176 316 A CA 0.917 53.010 52.037 0.093 0.000 0.628 316 A CB -0.654 18.468 19.000 0.204 0.000 0.816 316 A HN 0.541 nan 8.150 nan 0.000 0.444 317 W N -2.496 118.926 121.300 0.203 0.000 3.278 317 W HA 0.223 4.883 4.660 -0.000 0.000 0.308 317 W C 1.506 178.099 176.519 0.122 0.000 1.253 317 W CA -0.270 57.163 57.345 0.147 0.000 1.759 317 W CB -0.248 29.289 29.460 0.127 0.000 1.093 317 W HN 0.489 nan 8.180 nan 0.000 0.648 318 Y N 2.133 122.566 120.300 0.222 0.000 2.040 318 Y HA -0.385 4.165 4.550 -0.000 0.000 0.275 318 Y C 2.025 177.995 175.900 0.117 0.000 1.171 318 Y CA 2.393 60.581 58.100 0.148 0.000 1.123 318 Y CB -0.511 38.008 38.460 0.098 0.000 0.963 318 Y HN -0.136 nan 8.280 nan 0.000 0.493 319 D N -0.689 119.729 120.400 0.030 0.000 2.097 319 D HA -0.182 4.458 4.640 -0.001 0.000 0.195 319 D C 2.463 178.737 176.300 -0.043 0.000 0.989 319 D CA 1.871 55.834 54.000 -0.062 0.000 0.827 319 D CB -0.673 40.140 40.800 0.020 0.000 0.966 319 D HN 0.324 nan 8.370 nan 0.000 0.456 320 V N 1.765 121.715 119.914 0.060 0.000 2.324 320 V HA -0.276 3.843 4.120 -0.001 0.000 0.250 320 V C 2.592 178.755 176.094 0.115 0.000 1.060 320 V CA 1.939 64.322 62.300 0.138 0.000 1.042 320 V CB -0.893 31.128 31.823 0.330 0.000 0.650 320 V HN 0.195 nan 8.190 nan 0.000 0.450 321 A N 0.359 123.241 122.820 0.102 0.000 1.933 321 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 321 A C 2.393 179.938 177.584 -0.065 0.000 1.175 321 A CA 1.938 53.989 52.037 0.024 0.000 0.628 321 A CB -1.091 17.923 19.000 0.023 0.000 0.814 321 A HN 0.541 nan 8.150 nan 0.000 0.444 322 G N -0.566 108.134 108.800 -0.166 0.000 2.404 322 G HA2 0.053 4.013 3.960 -0.001 0.000 0.215 322 G HA3 0.053 4.013 3.960 -0.001 0.000 0.215 322 G C 1.777 176.632 174.900 -0.074 0.000 1.174 322 G CA 1.303 46.298 45.100 -0.174 0.000 0.780 322 G HN 0.775 nan 8.290 nan 0.000 0.537 323 A N 0.794 123.587 122.820 -0.045 0.000 1.908 323 A HA 0.000 4.320 4.320 -0.001 0.000 0.218 323 A C 2.381 179.973 177.584 0.012 0.000 1.181 323 A CA 1.351 53.382 52.037 -0.010 0.000 0.627 323 A CB -0.397 18.609 19.000 0.010 0.000 0.818 323 A HN 0.387 nan 8.150 nan 0.000 0.445 324 I N -0.850 119.735 120.570 0.025 0.000 2.493 324 I HA -0.235 3.935 4.170 -0.001 0.000 0.254 324 I C 2.344 178.474 176.117 0.022 0.000 1.160 324 I CA 1.329 62.651 61.300 0.037 0.000 1.445 324 I CB -0.172 37.853 38.000 0.041 0.000 1.086 324 I HN 0.302 nan 8.210 nan 0.000 0.433 325 K N -0.003 120.400 120.400 0.004 0.000 2.167 325 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 325 K C 1.931 178.535 176.600 0.008 0.000 1.052 325 K CA 0.783 57.073 56.287 0.005 0.000 0.956 325 K CB 0.039 32.535 32.500 -0.007 0.000 0.735 325 K HN 0.107 nan 8.250 nan 0.000 0.451 326 L N -0.022 121.201 121.223 0.000 0.000 2.141 326 L HA -0.035 4.305 4.340 -0.001 0.000 0.209 326 L C 1.590 178.466 176.870 0.009 0.000 1.094 326 L CA 2.061 56.900 54.840 -0.001 0.000 0.763 326 L CB -0.759 41.292 42.059 -0.013 0.000 0.908 326 L HN 0.524 nan 8.230 nan 0.000 0.437 327 G N -1.745 107.069 108.800 0.023 0.000 2.195 327 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.246 327 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.246 327 G C 0.452 175.383 174.900 0.051 0.000 0.984 327 G CA 0.314 45.441 45.100 0.045 0.000 0.633 327 G HN 0.391 nan 8.290 nan 0.000 0.525 328 D N 0.821 121.223 120.400 0.002 0.000 2.338 328 D HA 0.346 4.985 4.640 -0.001 0.000 0.255 328 D C 1.725 177.996 176.300 -0.048 0.000 1.237 328 D CA -0.221 53.733 54.000 -0.075 0.000 0.883 328 D CB 0.019 40.753 40.800 -0.110 0.000 1.087 328 D HN 0.315 nan 8.370 nan 0.000 0.485 329 F N 3.707 123.667 119.950 0.016 0.000 2.604 329 F HA 0.050 4.576 4.527 -0.001 0.000 0.298 329 F C 1.390 177.201 175.800 0.019 0.000 1.131 329 F CA 0.140 58.152 58.000 0.021 0.000 1.457 329 F CB -0.448 38.565 39.000 0.022 0.000 1.095 329 F HN 0.187 nan 8.300 nan 0.000 0.574 330 N N 1.132 119.595 118.700 -0.395 0.000 2.300 330 N HA -0.046 4.694 4.740 -0.001 0.000 0.179 330 N C 1.992 177.462 175.510 -0.067 0.000 1.016 330 N CA 0.970 53.896 53.050 -0.206 0.000 0.876 330 N CB -0.209 38.077 38.487 -0.335 0.000 0.979 330 N HN 0.416 nan 8.380 nan 0.000 0.432 331 L N 0.947 122.125 121.223 -0.076 0.000 2.179 331 L HA 0.051 4.391 4.340 -0.001 0.000 0.208 331 L C 2.010 178.887 176.870 0.011 0.000 1.096 331 L CA 0.533 55.354 54.840 -0.032 0.000 0.779 331 L CB -0.040 41.995 42.059 -0.040 0.000 0.922 331 L HN 0.050 nan 8.230 nan 0.000 0.443 332 I N -0.323 120.275 120.570 0.046 0.000 2.252 332 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 332 I C 2.733 178.905 176.117 0.092 0.000 1.102 332 I CA 1.116 62.468 61.300 0.087 0.000 1.385 332 I CB -0.471 37.608 38.000 0.132 0.000 1.064 332 I HN 0.246 nan 8.210 nan 0.000 0.414 333 A N 0.713 123.597 122.820 0.107 0.000 1.902 333 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 333 A C 2.276 179.889 177.584 0.047 0.000 1.181 333 A CA 1.934 54.027 52.037 0.095 0.000 0.623 333 A CB -0.439 18.637 19.000 0.126 0.000 0.818 333 A HN 0.218 nan 8.150 nan 0.000 0.443 334 K N 0.033 120.451 120.400 0.029 0.000 2.026 334 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 334 K C 2.182 178.776 176.600 -0.010 0.000 1.048 334 K CA 2.376 58.666 56.287 0.004 0.000 0.929 334 K CB -0.818 31.679 32.500 -0.006 0.000 0.713 334 K HN 0.608 nan 8.250 nan 0.000 0.439 335 T N -1.467 113.085 114.554 -0.003 0.000 2.833 335 T HA -0.111 4.239 4.350 -0.001 0.000 0.269 335 T C 1.889 176.563 174.700 -0.044 0.000 1.054 335 T CA 1.330 63.419 62.100 -0.018 0.000 1.135 335 T CB -0.219 68.651 68.868 0.004 0.000 0.869 335 T HN 0.057 nan 8.240 nan 0.000 0.466 336 K N 1.500 121.892 120.400 -0.012 0.000 2.025 336 K HA -0.003 4.317 4.320 -0.001 0.000 0.207 336 K C 2.410 178.961 176.600 -0.082 0.000 1.049 336 K CA 1.846 58.112 56.287 -0.035 0.000 0.933 336 K CB -1.165 31.362 32.500 0.046 0.000 0.714 336 K HN 0.389 nan 8.250 nan 0.000 0.438 337 T N 1.013 115.540 114.554 -0.047 0.000 2.759 337 T HA -0.110 4.240 4.350 -0.001 0.000 0.269 337 T C 1.449 176.092 174.700 -0.095 0.000 1.042 337 T CA 1.617 63.682 62.100 -0.058 0.000 1.140 337 T CB -0.187 68.664 68.868 -0.029 0.000 0.864 337 T HN 0.390 nan 8.240 nan 0.000 0.455 338 E N 0.482 120.625 120.200 -0.096 0.000 2.106 338 E HA -0.008 4.341 4.350 -0.001 0.000 0.192 338 E C 2.195 178.686 176.600 -0.182 0.000 0.984 338 E CA 0.568 56.899 56.400 -0.115 0.000 0.806 338 E CB -0.209 29.439 29.700 -0.086 0.000 0.750 338 E HN 0.402 nan 8.360 nan 0.000 0.458 339 L N 1.238 122.318 121.223 -0.238 0.000 2.046 339 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 339 L C 2.029 178.642 176.870 -0.428 0.000 1.077 339 L CA 1.565 56.171 54.840 -0.389 0.000 0.747 339 L CB -0.019 41.712 42.059 -0.547 0.000 0.896 339 L HN 0.052 nan 8.230 nan 0.000 0.432 340 E N -0.055 119.951 120.200 -0.323 0.000 2.031 340 E HA -0.271 4.079 4.350 -0.001 0.000 0.193 340 E C 2.087 178.543 176.600 -0.241 0.000 0.994 340 E CA 1.850 58.083 56.400 -0.279 0.000 0.800 340 E CB -0.097 29.503 29.700 -0.167 0.000 0.752 340 E HN 0.583 nan 8.360 nan 0.000 0.447 341 E N -0.097 119.992 120.200 -0.185 0.000 2.077 341 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 341 E C 2.155 178.645 176.600 -0.183 0.000 0.989 341 E CA 1.550 57.858 56.400 -0.154 0.000 0.800 341 E CB -0.021 29.611 29.700 -0.113 0.000 0.746 341 E HN 0.195 nan 8.360 nan 0.000 0.452 342 T N 0.824 115.249 114.554 -0.215 0.000 2.652 342 T HA -0.206 4.144 4.350 -0.001 0.000 0.267 342 T C 1.862 176.397 174.700 -0.275 0.000 1.039 342 T CA 1.340 63.307 62.100 -0.223 0.000 1.153 342 T CB -0.220 68.506 68.868 -0.236 0.000 0.863 342 T HN 0.008 nan 8.240 nan 0.000 0.428 343 Q N 0.768 120.339 119.800 -0.383 0.000 2.124 343 Q HA 0.025 4.364 4.340 -0.001 0.000 0.202 343 Q C 2.288 178.065 176.000 -0.372 0.000 0.977 343 Q CA 1.373 56.899 55.803 -0.461 0.000 0.850 343 Q CB -0.315 27.993 28.738 -0.716 0.000 0.901 343 Q HN 0.439 nan 8.270 nan 0.000 0.429 344 R N -0.162 120.166 120.500 -0.287 0.000 2.081 344 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 344 R C 1.886 178.065 176.300 -0.202 0.000 1.131 344 R CA 1.694 57.664 56.100 -0.217 0.000 0.960 344 R CB -0.077 30.134 30.300 -0.148 0.000 0.856 344 R HN 0.137 nan 8.270 nan 0.000 0.436 345 E N 0.406 120.497 120.200 -0.182 0.000 2.107 345 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 345 E C 1.825 178.321 176.600 -0.172 0.000 0.982 345 E CA 0.736 57.047 56.400 -0.148 0.000 0.809 345 E CB -0.272 29.354 29.700 -0.123 0.000 0.756 345 E HN 0.235 nan 8.360 nan 0.000 0.459 346 L N 0.822 121.915 121.223 -0.217 0.000 2.046 346 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 346 L C 2.117 178.805 176.870 -0.304 0.000 1.077 346 L CA 1.805 56.514 54.840 -0.217 0.000 0.747 346 L CB -0.706 41.223 42.059 -0.217 0.000 0.896 346 L HN 0.181 nan 8.230 nan 0.000 0.432 347 R N -0.296 119.913 120.500 -0.485 0.000 2.091 347 R HA -0.193 4.147 4.340 -0.001 0.000 0.238 347 R C 2.233 178.322 176.300 -0.352 0.000 1.136 347 R CA 1.558 57.182 56.100 -0.794 0.000 0.959 347 R CB -0.206 29.510 30.300 -0.974 0.000 0.856 347 R HN 0.362 nan 8.270 nan 0.000 0.437 348 K N 0.695 120.981 120.400 -0.190 0.000 2.063 348 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 348 K C 1.988 178.563 176.600 -0.041 0.000 1.048 348 K CA 1.705 57.952 56.287 -0.067 0.000 0.928 348 K CB -0.028 32.438 32.500 -0.057 0.000 0.713 348 K HN 0.322 nan 8.250 nan 0.000 0.442 349 E N 0.485 120.643 120.200 -0.069 0.000 2.106 349 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 349 E C 1.972 178.575 176.600 0.005 0.000 0.984 349 E CA 0.661 57.043 56.400 -0.030 0.000 0.806 349 E CB 0.082 29.757 29.700 -0.042 0.000 0.750 349 E HN 0.234 nan 8.360 nan 0.000 0.458 350 E N 1.209 121.397 120.200 -0.019 0.000 2.058 350 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 350 E C 1.955 178.643 176.600 0.147 0.000 0.997 350 E CA 1.124 57.563 56.400 0.065 0.000 0.801 350 E CB -0.085 29.622 29.700 0.011 0.000 0.746 350 E HN 0.371 nan 8.360 nan 0.000 0.450 351 E N 0.673 120.971 120.200 0.163 0.000 2.077 351 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 351 E C 2.012 178.675 176.600 0.104 0.000 0.989 351 E CA 0.976 57.486 56.400 0.184 0.000 0.800 351 E CB -0.139 29.679 29.700 0.196 0.000 0.746 351 E HN 0.210 nan 8.360 nan 0.000 0.452 352 A N 1.247 124.109 122.820 0.070 0.000 2.032 352 A HA -0.216 4.103 4.320 -0.001 0.000 0.221 352 A C 1.714 179.327 177.584 0.049 0.000 1.165 352 A CA 1.388 53.453 52.037 0.048 0.000 0.645 352 A CB -0.218 18.799 19.000 0.028 0.000 0.807 352 A HN 0.053 nan 8.150 nan 0.000 0.453 353 K N -1.471 118.966 120.400 0.063 0.000 2.387 353 K HA 0.278 4.598 4.320 -0.001 0.000 0.198 353 K C 0.822 177.462 176.600 0.067 0.000 1.022 353 K CA 0.376 56.700 56.287 0.061 0.000 1.128 353 K CB 0.095 32.636 32.500 0.068 0.000 0.853 353 K HN 0.589 nan 8.250 nan 0.000 0.523 354 G N 2.281 111.126 108.800 0.075 0.000 2.221 354 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.265 354 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.265 354 G C -0.065 174.885 174.900 0.082 0.000 1.041 354 G CA -0.081 45.061 45.100 0.070 0.000 0.807 354 G HN 0.280 nan 8.290 nan 0.000 0.502 355 I N 0.833 121.474 120.570 0.119 0.000 2.321 355 I HA 0.317 4.486 4.170 -0.001 0.000 0.291 355 I C 0.950 177.161 176.117 0.157 0.000 0.998 355 I CA -0.440 60.938 61.300 0.130 0.000 1.227 355 I CB 1.889 39.978 38.000 0.147 0.000 1.368 355 I HN 0.126 nan 8.210 nan 0.000 0.466 356 S N 7.803 123.544 115.700 0.069 0.000 3.900 356 S HA 0.034 4.504 4.470 -0.001 0.000 0.248 356 S C 1.297 175.856 174.600 -0.068 0.000 1.310 356 S CA -0.632 57.548 58.200 -0.033 0.000 0.915 356 S CB -0.132 63.039 63.200 -0.048 0.000 1.588 356 S HN 0.738 nan 8.310 nan 0.000 0.472 357 W N 3.008 124.297 121.300 -0.018 0.000 2.392 357 W HA -0.152 4.508 4.660 -0.001 0.000 0.279 357 W C 1.214 177.707 176.519 -0.043 0.000 1.225 357 W CA 0.671 57.986 57.345 -0.051 0.000 1.233 357 W CB -0.711 28.738 29.460 -0.018 0.000 1.122 357 W HN 0.614 nan 8.180 nan 0.000 0.561 358 Q N 0.916 120.164 119.800 -0.919 0.000 2.230 358 Q HA -0.061 4.279 4.340 -0.001 0.000 0.202 358 Q C 0.784 176.620 176.000 -0.272 0.000 0.963 358 Q CA 1.221 56.547 55.803 -0.795 0.000 0.866 358 Q CB 0.089 28.243 28.738 -0.973 0.000 0.931 358 Q HN 0.257 nan 8.270 nan 0.000 0.452 359 R N -0.548 119.855 120.500 -0.162 0.000 2.638 359 R HA 0.211 4.551 4.340 -0.001 0.000 0.269 359 R C 0.380 176.701 176.300 0.036 0.000 1.393 359 R CA -0.167 55.957 56.100 0.041 0.000 1.531 359 R CB 0.555 30.924 30.300 0.115 0.000 1.327 359 R HN 0.032 nan 8.270 nan 0.000 0.709 360 R N 0.488 120.947 120.500 -0.068 0.000 2.070 360 R HA -0.092 4.247 4.340 -0.001 0.000 0.233 360 R C 0.387 176.680 176.300 -0.010 0.000 1.137 360 R CA 1.822 57.809 56.100 -0.189 0.000 0.945 360 R CB 0.240 30.175 30.300 -0.608 0.000 0.845 360 R HN 0.400 nan 8.270 nan 0.000 0.430 361 W N -1.485 119.966 121.300 0.251 0.000 2.714 361 W HA 0.307 4.967 4.660 -0.001 0.000 0.353 361 W C -0.701 175.717 176.519 -0.167 0.000 0.999 361 W CA -0.503 56.893 57.345 0.085 0.000 1.629 361 W CB 0.159 29.710 29.460 0.153 0.000 1.106 361 W HN -0.115 nan 8.180 nan 0.000 0.545 362 F N 1.413 121.626 119.950 0.438 0.000 2.565 362 F HA 0.499 5.026 4.527 -0.000 0.000 0.313 362 F C 0.324 176.413 175.800 0.482 0.000 1.091 362 F CA -1.026 57.251 58.000 0.462 0.000 0.915 362 F CB 1.508 40.770 39.000 0.436 0.000 1.208 362 F HN -0.574 nan 8.300 nan 0.000 0.453 363 K N 1.536 122.323 120.400 0.644 0.000 2.318 363 K HA 0.327 4.647 4.320 -0.001 0.000 0.249 363 K C -1.412 175.310 176.600 0.202 0.000 0.942 363 K CA -0.827 55.691 56.287 0.384 0.000 0.808 363 K CB 1.925 34.548 32.500 0.206 0.000 1.189 363 K HN 0.638 nan 8.250 nan 0.000 0.428 364 D N 1.829 121.957 120.400 -0.453 0.000 2.347 364 D HA 0.221 4.861 4.640 -0.001 0.000 0.235 364 D C -0.491 175.543 176.300 -0.443 0.000 1.149 364 D CA -0.240 53.219 54.000 -0.902 0.000 0.850 364 D CB 0.043 39.854 40.800 -1.648 0.000 1.061 364 D HN 0.065 nan 8.370 nan 0.000 0.487 365 F N 0.887 120.677 119.950 -0.267 0.000 2.399 365 F HA 0.204 4.731 4.527 -0.001 0.000 0.334 365 F C 0.938 176.725 175.800 -0.022 0.000 1.097 365 F CA -0.903 57.047 58.000 -0.083 0.000 1.076 365 F CB 1.237 40.287 39.000 0.083 0.000 1.162 365 F HN 0.207 nan 8.300 nan 0.000 0.495 366 D N 2.248 122.674 120.400 0.044 0.000 2.317 366 D HA 0.098 4.738 4.640 -0.001 0.000 0.234 366 D C -0.467 175.891 176.300 0.097 0.000 1.112 366 D CA -0.089 53.936 54.000 0.042 0.000 0.840 366 D CB 0.494 41.263 40.800 -0.052 0.000 1.078 366 D HN 0.407 nan 8.370 nan 0.000 0.486 367 Y N 1.376 121.721 120.300 0.075 0.000 2.571 367 Y HA 0.090 4.640 4.550 -0.000 0.000 0.275 367 Y C 1.238 177.208 175.900 0.117 0.000 1.179 367 Y CA -0.444 57.754 58.100 0.164 0.000 1.242 367 Y CB 0.004 38.672 38.460 0.346 0.000 1.126 367 Y HN 0.227 nan 8.280 nan 0.000 0.524 368 S N -1.704 114.095 115.700 0.164 0.000 2.603 368 S HA 0.147 4.617 4.470 -0.001 0.000 0.268 368 S C 1.376 176.022 174.600 0.075 0.000 1.317 368 S CA -0.514 57.753 58.200 0.111 0.000 1.012 368 S CB 1.470 64.708 63.200 0.063 0.000 0.926 368 S HN 0.042 nan 8.310 nan 0.000 0.539 369 V N 1.137 121.089 119.914 0.064 0.000 2.282 369 V HA -0.083 4.036 4.120 -0.001 0.000 0.249 369 V C 1.644 177.752 176.094 0.023 0.000 1.057 369 V CA 2.088 64.413 62.300 0.042 0.000 1.032 369 V CB -1.399 30.445 31.823 0.035 0.000 0.645 369 V HN 1.106 nan 8.190 nan 0.000 0.447 370 T N -1.205 113.360 114.554 0.018 0.000 3.150 370 T HA 0.475 4.825 4.350 -0.001 0.000 0.383 370 T C -2.123 172.577 174.700 -0.001 0.000 1.313 370 T CA -1.485 60.618 62.100 0.005 0.000 1.235 370 T CB 1.315 70.186 68.868 0.004 0.000 1.088 370 T HN 0.258 nan 8.240 nan 0.000 0.556 371 P HA 0.303 nan 4.420 nan 0.000 0.272 371 P C -0.113 177.169 177.300 -0.031 0.000 1.240 371 P CA -0.397 62.689 63.100 -0.023 0.000 0.791 371 P CB 1.105 32.784 31.700 -0.036 0.000 0.978 372 E N -0.204 119.971 120.200 -0.042 0.000 2.371 372 E HA 0.003 4.353 4.350 -0.001 0.000 0.257 372 E C 1.169 177.739 176.600 -0.051 0.000 1.134 372 E CA -0.381 55.994 56.400 -0.043 0.000 0.919 372 E CB 0.635 30.306 29.700 -0.048 0.000 1.025 372 E HN 0.515 nan 8.360 nan 0.000 0.438 373 E N 1.538 121.711 120.200 -0.045 0.000 2.002 373 E HA -0.230 4.120 4.350 -0.001 0.000 0.213 373 E C 1.777 178.340 176.600 -0.061 0.000 1.024 373 E CA 1.712 58.084 56.400 -0.047 0.000 0.876 373 E CB -0.460 29.217 29.700 -0.039 0.000 0.799 373 E HN 0.687 nan 8.360 nan 0.000 0.497 374 G N 0.381 109.141 108.800 -0.066 0.000 2.586 374 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.215 374 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.215 374 G C 0.422 175.253 174.900 -0.115 0.000 1.128 374 G CA 0.441 45.492 45.100 -0.082 0.000 0.774 374 G HN 0.515 nan 8.290 nan 0.000 0.543 375 A N -0.049 122.699 122.820 -0.120 0.000 2.540 375 A HA 0.415 4.734 4.320 -0.001 0.000 0.239 375 A C 0.425 177.881 177.584 -0.213 0.000 1.061 375 A CA -0.182 51.757 52.037 -0.165 0.000 0.758 375 A CB 0.191 19.111 19.000 -0.134 0.000 0.991 375 A HN 0.296 nan 8.150 nan 0.000 0.502 376 L N 2.767 123.784 121.223 -0.345 0.000 2.410 376 L HA 0.277 4.617 4.340 -0.001 0.000 0.273 376 L C -0.092 176.573 176.870 -0.342 0.000 1.152 376 L CA -0.126 54.404 54.840 -0.516 0.000 0.855 376 L CB 0.756 42.144 42.059 -1.117 0.000 1.129 376 L HN 0.463 nan 8.230 nan 0.000 0.463 377 V N 4.446 124.272 119.914 -0.146 0.000 2.815 377 V HA 0.491 4.610 4.120 -0.001 0.000 0.314 377 V C -1.862 174.303 176.094 0.118 0.000 1.064 377 V CA -1.415 60.868 62.300 -0.028 0.000 0.952 377 V CB 1.961 33.749 31.823 -0.058 0.000 1.020 377 V HN 0.683 nan 8.190 nan 0.000 0.439 378 P HA 0.309 nan 4.420 nan 0.000 0.274 378 P C -0.539 176.728 177.300 -0.054 0.000 1.256 378 P CA -0.427 62.589 63.100 -0.140 0.000 0.795 378 P CB 1.114 32.492 31.700 -0.537 0.000 1.038 379 E N -0.238 119.941 120.200 -0.036 0.000 2.359 379 E HA 0.076 4.426 4.350 -0.001 0.000 0.255 379 E C 1.329 177.921 176.600 -0.014 0.000 1.191 379 E CA -0.613 55.779 56.400 -0.014 0.000 0.952 379 E CB 0.613 30.309 29.700 -0.007 0.000 1.152 379 E HN 0.428 nan 8.360 nan 0.000 0.496 380 K N 0.070 120.464 120.400 -0.009 0.000 2.217 380 K HA -0.074 4.246 4.320 -0.001 0.000 0.202 380 K C 0.304 176.902 176.600 -0.004 0.000 1.051 380 K CA 1.324 57.607 56.287 -0.008 0.000 0.952 380 K CB 0.220 32.714 32.500 -0.009 0.000 0.736 380 K HN 0.238 nan 8.250 nan 0.000 0.453 381 D N 1.905 122.304 120.400 -0.002 0.000 2.587 381 D HA 0.022 4.662 4.640 -0.001 0.000 0.233 381 D C -0.885 175.422 176.300 0.013 0.000 1.213 381 D CA -0.093 53.906 54.000 -0.001 0.000 0.827 381 D CB 0.030 40.825 40.800 -0.008 0.000 1.006 381 D HN 0.285 nan 8.370 nan 0.000 0.490 382 D N 0.324 120.744 120.400 0.033 0.000 2.502 382 D HA -0.053 4.586 4.640 -0.001 0.000 0.249 382 D C 1.343 177.695 176.300 0.088 0.000 1.188 382 D CA 0.523 54.573 54.000 0.084 0.000 0.890 382 D CB 0.978 41.873 40.800 0.157 0.000 1.140 382 D HN -0.142 nan 8.370 nan 0.000 0.505 383 T N 3.678 118.283 114.554 0.086 0.000 2.684 383 T HA -0.219 4.131 4.350 -0.001 0.000 0.267 383 T C 1.524 176.271 174.700 0.077 0.000 1.036 383 T CA 0.979 63.116 62.100 0.061 0.000 1.148 383 T CB -0.461 68.445 68.868 0.063 0.000 0.863 383 T HN 0.559 nan 8.240 nan 0.000 0.436 384 F N 1.779 121.728 119.950 -0.002 0.000 2.120 384 F HA -0.082 4.445 4.527 -0.001 0.000 0.300 384 F C 1.918 177.677 175.800 -0.068 0.000 1.095 384 F CA 1.121 59.073 58.000 -0.079 0.000 1.249 384 F CB -0.605 38.311 39.000 -0.139 0.000 0.995 384 F HN 0.077 nan 8.300 nan 0.000 0.480 385 L N -0.167 120.983 121.223 -0.122 0.000 2.056 385 L HA -0.213 4.127 4.340 -0.001 0.000 0.207 385 L C 2.540 179.283 176.870 -0.212 0.000 1.078 385 L CA 1.477 56.192 54.840 -0.208 0.000 0.749 385 L CB -0.734 41.346 42.059 0.036 0.000 0.901 385 L HN 0.058 nan 8.230 nan 0.000 0.433 386 K N 0.305 120.631 120.400 -0.123 0.000 1.978 386 K HA -0.186 4.133 4.320 -0.001 0.000 0.214 386 K C 2.082 178.585 176.600 -0.161 0.000 1.049 386 K CA 1.469 57.688 56.287 -0.114 0.000 0.939 386 K CB -0.345 32.111 32.500 -0.074 0.000 0.721 386 K HN 0.197 nan 8.250 nan 0.000 0.441 387 L N 0.346 121.464 121.223 -0.174 0.000 2.083 387 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 387 L C 2.574 179.290 176.870 -0.256 0.000 1.083 387 L CA 1.112 55.842 54.840 -0.183 0.000 0.752 387 L CB -0.636 41.343 42.059 -0.132 0.000 0.899 387 L HN 0.268 nan 8.230 nan 0.000 0.433 388 A N -0.815 121.755 122.820 -0.416 0.000 1.930 388 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 388 A C 2.563 179.962 177.584 -0.308 0.000 1.175 388 A CA 1.930 53.683 52.037 -0.473 0.000 0.627 388 A CB -0.550 17.939 19.000 -0.852 0.000 0.815 388 A HN 0.364 nan 8.150 nan 0.000 0.443 389 S N -0.297 115.250 115.700 -0.256 0.000 2.355 389 S HA -0.038 4.432 4.470 -0.001 0.000 0.222 389 S C 2.220 176.728 174.600 -0.153 0.000 1.031 389 S CA 1.553 59.648 58.200 -0.174 0.000 0.993 389 S CB -0.501 62.618 63.200 -0.135 0.000 0.859 389 S HN 0.827 nan 8.310 nan 0.000 0.453 390 A N 0.924 123.653 122.820 -0.152 0.000 1.940 390 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 390 A C 2.096 179.589 177.584 -0.152 0.000 1.176 390 A CA 1.716 53.675 52.037 -0.131 0.000 0.631 390 A CB -0.686 18.242 19.000 -0.120 0.000 0.814 390 A HN 0.584 nan 8.150 nan 0.000 0.446 391 L N -1.045 120.063 121.223 -0.191 0.000 2.446 391 L HA 0.160 4.499 4.340 -0.001 0.000 0.219 391 L C 0.700 177.419 176.870 -0.251 0.000 1.116 391 L CA 1.424 56.116 54.840 -0.247 0.000 0.844 391 L CB -0.607 41.274 42.059 -0.295 0.000 0.970 391 L HN 0.596 nan 8.230 nan 0.000 0.457 392 N N -1.052 117.527 118.700 -0.201 0.000 2.783 392 N HA -0.247 4.493 4.740 -0.001 0.000 0.247 392 N C -0.598 174.812 175.510 -0.167 0.000 1.089 392 N CA 0.900 53.852 53.050 -0.163 0.000 0.690 392 N CB -1.720 36.682 38.487 -0.140 0.000 0.991 392 N HN 0.355 nan 8.380 nan 0.000 0.552 393 L N 0.351 121.458 121.223 -0.194 0.000 2.334 393 L HA 0.564 4.904 4.340 -0.001 0.000 0.277 393 L C 0.573 177.385 176.870 -0.097 0.000 1.075 393 L CA -0.215 54.532 54.840 -0.155 0.000 0.804 393 L CB 1.324 43.272 42.059 -0.186 0.000 1.174 393 L HN 0.258 nan 8.230 nan 0.000 0.438 394 S N 1.501 117.193 115.700 -0.014 0.000 2.549 394 S HA 0.072 4.541 4.470 -0.001 0.000 0.286 394 S C 1.090 175.751 174.600 0.102 0.000 1.314 394 S CA 0.197 58.425 58.200 0.046 0.000 1.062 394 S CB 0.349 63.602 63.200 0.088 0.000 0.865 394 S HN 0.858 nan 8.310 nan 0.000 0.498 395 T N 1.918 116.553 114.554 0.136 0.000 3.086 395 T HA 0.293 4.643 4.350 -0.001 0.000 0.250 395 T C 0.432 175.418 174.700 0.477 0.000 1.074 395 T CA -0.135 62.146 62.100 0.302 0.000 0.988 395 T CB -0.123 68.886 68.868 0.236 0.000 0.988 395 T HN 0.556 nan 8.240 nan 0.000 0.530 396 K N 1.500 122.093 120.400 0.323 0.000 2.098 396 K HA 0.306 4.625 4.320 -0.001 0.000 0.244 396 K C -0.140 176.667 176.600 0.345 0.000 1.014 396 K CA -0.580 55.875 56.287 0.280 0.000 0.917 396 K CB 0.411 33.023 32.500 0.187 0.000 1.072 396 K HN 0.126 nan 8.250 nan 0.000 0.477 397 N N 0.626 119.485 118.700 0.264 0.000 3.210 397 N HA 0.071 4.811 4.740 -0.001 0.000 0.314 397 N C -0.835 174.927 175.510 0.421 0.000 1.291 397 N CA -0.508 52.745 53.050 0.339 0.000 1.202 397 N CB 0.345 38.946 38.487 0.190 0.000 1.475 397 N HN 0.413 nan 8.380 nan 0.000 0.554 398 A N 1.139 124.183 122.820 0.373 0.000 2.261 398 A HA 0.621 4.941 4.320 -0.001 0.000 0.323 398 A C -2.310 175.331 177.584 0.095 0.000 1.107 398 A CA -1.666 50.541 52.037 0.284 0.000 0.883 398 A CB 0.426 19.526 19.000 0.166 0.000 1.251 398 A HN 0.103 nan 8.150 nan 0.000 0.502 399 P HA 0.081 nan 4.420 nan 0.000 0.266 399 P C -0.277 176.881 177.300 -0.237 0.000 1.193 399 P CA 0.258 62.945 63.100 -0.688 0.000 0.770 399 P CB 0.355 31.768 31.700 -0.479 0.000 0.836 400 S N 1.839 117.420 115.700 -0.199 0.000 2.563 400 S HA 0.262 4.732 4.470 -0.001 0.000 0.294 400 S C 1.576 176.210 174.600 0.057 0.000 1.279 400 S CA 1.228 59.434 58.200 0.011 0.000 1.069 400 S CB -0.705 62.519 63.200 0.041 0.000 0.828 400 S HN 0.920 nan 8.310 nan 0.000 0.497 401 G N 2.879 111.769 108.800 0.151 0.000 2.179 401 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.260 401 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.260 401 G C 0.200 175.227 174.900 0.211 0.000 0.977 401 G CA 0.187 45.443 45.100 0.259 0.000 0.641 401 G HN 0.755 nan 8.290 nan 0.000 0.533 402 T N 2.104 116.725 114.554 0.111 0.000 2.867 402 T HA 0.443 4.793 4.350 -0.001 0.000 0.297 402 T C 0.485 175.223 174.700 0.063 0.000 0.989 402 T CA 0.075 62.222 62.100 0.079 0.000 1.159 402 T CB 1.187 70.091 68.868 0.060 0.000 0.928 402 T HN 0.201 nan 8.240 nan 0.000 0.538 403 L N 4.089 125.338 121.223 0.044 0.000 2.399 403 L HA 0.338 4.678 4.340 -0.001 0.000 0.266 403 L C 0.357 177.225 176.870 -0.002 0.000 1.114 403 L CA -0.418 54.418 54.840 -0.007 0.000 0.804 403 L CB 0.928 42.976 42.059 -0.018 0.000 1.146 403 L HN 0.386 nan 8.230 nan 0.000 0.451 404 V N 2.878 122.778 119.914 -0.024 0.000 2.617 404 V HA 0.317 4.437 4.120 -0.001 0.000 0.304 404 V C 1.233 177.324 176.094 -0.005 0.000 1.040 404 V CA 1.445 63.738 62.300 -0.011 0.000 1.149 404 V CB 0.101 31.907 31.823 -0.028 0.000 0.914 404 V HN 1.053 nan 8.190 nan 0.000 0.487 405 G N 3.865 112.670 108.800 0.008 0.000 2.232 405 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.226 405 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.226 405 G C -0.059 174.850 174.900 0.015 0.000 0.996 405 G CA 0.029 45.134 45.100 0.009 0.000 0.626 405 G HN 0.696 nan 8.290 nan 0.000 0.509 406 D N 0.265 120.677 120.400 0.020 0.000 2.378 406 D HA 0.378 5.018 4.640 -0.001 0.000 0.238 406 D C 1.409 177.727 176.300 0.031 0.000 1.180 406 D CA 0.304 54.319 54.000 0.026 0.000 0.895 406 D CB 0.675 41.494 40.800 0.031 0.000 1.192 406 D HN 0.290 nan 8.370 nan 0.000 0.438 407 K N 0.826 121.244 120.400 0.030 0.000 2.034 407 K HA -0.242 4.078 4.320 -0.001 0.000 0.214 407 K C 1.355 177.981 176.600 0.042 0.000 1.051 407 K CA 1.432 57.739 56.287 0.033 0.000 0.931 407 K CB 0.118 32.636 32.500 0.030 0.000 0.715 407 K HN 0.354 nan 8.250 nan 0.000 0.446 408 E N 0.549 120.777 120.200 0.046 0.000 2.160 408 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 408 E C 1.708 178.353 176.600 0.074 0.000 0.991 408 E CA 1.553 57.991 56.400 0.062 0.000 0.810 408 E CB -0.233 29.500 29.700 0.054 0.000 0.742 408 E HN 0.512 nan 8.360 nan 0.000 0.466 409 D N 0.307 120.745 120.400 0.063 0.000 2.249 409 D HA -0.050 4.590 4.640 -0.001 0.000 0.205 409 D C 1.735 178.071 176.300 0.059 0.000 0.962 409 D CA 0.559 54.600 54.000 0.068 0.000 0.860 409 D CB 0.141 40.974 40.800 0.055 0.000 0.955 409 D HN -0.023 nan 8.370 nan 0.000 0.505 410 R N 0.120 120.648 120.500 0.048 0.000 2.275 410 R HA 0.061 4.401 4.340 -0.001 0.000 0.199 410 R C 0.749 177.075 176.300 0.043 0.000 0.989 410 R CA -0.068 56.056 56.100 0.040 0.000 1.016 410 R CB -0.025 30.294 30.300 0.031 0.000 0.918 410 R HN 0.057 nan 8.270 nan 0.000 0.473 411 K N 2.029 122.460 120.400 0.052 0.000 2.578 411 K HA -0.177 4.143 4.320 -0.001 0.000 0.279 411 K C 0.526 177.154 176.600 0.047 0.000 0.983 411 K CA 0.389 56.707 56.287 0.052 0.000 1.078 411 K CB 0.494 33.034 32.500 0.067 0.000 0.852 411 K HN 0.118 nan 8.250 nan 0.000 0.490 412 E N 1.839 122.063 120.200 0.039 0.000 1.973 412 E HA -0.249 4.101 4.350 -0.001 0.000 0.233 412 E C 0.109 176.730 176.600 0.035 0.000 0.960 412 E CA 2.109 58.529 56.400 0.033 0.000 0.884 412 E CB -0.090 29.627 29.700 0.028 0.000 0.817 412 E HN 0.733 nan 8.360 nan 0.000 0.570 413 D N 1.094 121.514 120.400 0.033 0.000 2.540 413 D HA 0.181 4.820 4.640 -0.001 0.000 0.251 413 D C -0.638 175.684 176.300 0.037 0.000 1.159 413 D CA -0.257 53.762 54.000 0.031 0.000 0.974 413 D CB 0.218 41.031 40.800 0.022 0.000 0.996 413 D HN -0.054 nan 8.370 nan 0.000 0.512 414 L N 2.119 123.372 121.223 0.050 0.000 2.292 414 L HA 0.233 4.572 4.340 -0.001 0.000 0.284 414 L C 0.522 177.426 176.870 0.057 0.000 1.065 414 L CA -0.254 54.623 54.840 0.063 0.000 0.806 414 L CB 1.371 43.484 42.059 0.089 0.000 1.175 414 L HN 0.312 nan 8.230 nan 0.000 0.431 415 S N 2.614 118.339 115.700 0.042 0.000 2.596 415 S HA 0.341 4.811 4.470 -0.001 0.000 0.260 415 S C 0.373 174.986 174.600 0.022 0.000 1.336 415 S CA -0.489 57.721 58.200 0.017 0.000 0.993 415 S CB 0.770 63.961 63.200 -0.015 0.000 0.923 415 S HN 0.654 nan 8.310 nan 0.000 0.567 416 S N 0.524 116.213 115.700 -0.019 0.000 2.665 416 S HA 0.359 4.829 4.470 -0.001 0.000 0.235 416 S C -0.333 174.095 174.600 -0.287 0.000 1.084 416 S CA -0.551 57.616 58.200 -0.055 0.000 1.151 416 S CB -0.416 62.865 63.200 0.135 0.000 1.151 416 S HN 0.609 nan 8.310 nan 0.000 0.461 417 I N 3.010 123.350 120.570 -0.382 0.000 2.365 417 I HA 0.365 4.535 4.170 -0.001 0.000 0.291 417 I C -0.257 175.418 176.117 -0.736 0.000 1.004 417 I CA -0.245 60.794 61.300 -0.435 0.000 1.311 417 I CB 0.660 38.458 38.000 -0.337 0.000 1.401 417 I HN 0.296 nan 8.210 nan 0.000 0.491 418 H N 4.249 123.196 119.070 -0.204 0.000 2.771 418 H HA 0.239 4.794 4.556 -0.001 0.000 0.361 418 H C -1.344 173.750 175.328 -0.390 0.000 1.108 418 H CA -0.789 55.048 56.048 -0.351 0.000 1.201 418 H CB 1.338 30.933 29.762 -0.279 0.000 1.681 418 H HN 0.485 nan 8.280 nan 0.000 0.534 419 W N 2.595 123.650 121.300 -0.408 0.000 2.272 419 W HA 0.451 5.111 4.660 -0.001 0.000 0.318 419 W C 0.497 177.097 176.519 0.135 0.000 1.255 419 W CA -0.351 56.929 57.345 -0.107 0.000 1.200 419 W CB 0.845 30.132 29.460 -0.289 0.000 1.170 419 W HN 0.164 nan 8.180 nan 0.000 0.549 420 R N 2.809 123.626 120.500 0.529 0.000 2.686 420 R HA 0.344 4.684 4.340 -0.001 0.000 0.283 420 R C -1.165 175.449 176.300 0.523 0.000 0.978 420 R CA -1.337 54.995 56.100 0.386 0.000 0.897 420 R CB 1.664 31.946 30.300 -0.030 0.000 1.192 420 R HN 0.415 nan 8.270 nan 0.000 0.457 421 F N 2.279 122.352 119.950 0.205 0.000 2.389 421 F HA 0.209 4.735 4.527 -0.000 0.000 0.337 421 F C -0.134 175.596 175.800 -0.116 0.000 1.112 421 F CA -0.109 57.775 58.000 -0.194 0.000 1.192 421 F CB 0.938 39.825 39.000 -0.188 0.000 1.185 421 F HN 0.177 nan 8.300 nan 0.000 0.552 422 Q N 5.581 124.844 119.800 -0.895 0.000 2.558 422 Q HA 0.167 4.507 4.340 -0.001 0.000 0.252 422 Q C 0.843 176.162 176.000 -1.135 0.000 1.015 422 Q CA -0.569 54.815 55.803 -0.699 0.000 0.720 422 Q CB 1.434 30.028 28.738 -0.240 0.000 1.215 422 Q HN 0.766 nan 8.270 nan 0.000 0.500 423 R N 2.210 121.955 120.500 -1.258 0.000 2.133 423 R HA -0.227 4.113 4.340 -0.001 0.000 0.247 423 R C 0.874 176.958 176.300 -0.359 0.000 1.151 423 R CA 2.073 57.657 56.100 -0.859 0.000 0.971 423 R CB 0.258 30.290 30.300 -0.446 0.000 0.866 423 R HN 0.410 nan 8.270 nan 0.000 0.447 424 E N 0.187 120.221 120.200 -0.276 0.000 2.085 424 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 424 E C 1.992 178.541 176.600 -0.085 0.000 0.994 424 E CA 1.531 57.844 56.400 -0.144 0.000 0.801 424 E CB -0.337 29.298 29.700 -0.109 0.000 0.743 424 E HN 0.345 nan 8.360 nan 0.000 0.453 425 L N -0.141 121.044 121.223 -0.063 0.000 2.127 425 L HA -0.151 4.189 4.340 -0.001 0.000 0.211 425 L C 2.373 179.378 176.870 0.224 0.000 1.089 425 L CA 1.135 56.036 54.840 0.101 0.000 0.757 425 L CB -0.459 41.703 42.059 0.171 0.000 0.899 425 L HN 0.420 nan 8.230 nan 0.000 0.434 426 W N 1.486 122.727 121.300 -0.099 0.000 2.443 426 W HA -0.147 4.513 4.660 -0.000 0.000 0.296 426 W C 1.730 178.198 176.519 -0.086 0.000 1.202 426 W CA 0.797 58.017 57.345 -0.208 0.000 1.312 426 W CB -0.007 29.289 29.460 -0.273 0.000 1.120 426 W HN 0.197 nan 8.180 nan 0.000 0.536 427 D N 1.015 121.252 120.400 -0.272 0.000 2.221 427 D HA -0.228 4.411 4.640 -0.001 0.000 0.204 427 D C 1.651 177.776 176.300 -0.292 0.000 0.982 427 D CA 1.939 55.735 54.000 -0.340 0.000 0.857 427 D CB -0.319 40.384 40.800 -0.162 0.000 0.934 427 D HN 0.607 nan 8.370 nan 0.000 0.475 428 E N 0.727 120.822 120.200 -0.175 0.000 2.476 428 E HA 0.045 4.395 4.350 -0.001 0.000 0.196 428 E C 0.293 176.848 176.600 -0.075 0.000 1.029 428 E CA -0.373 55.963 56.400 -0.107 0.000 0.896 428 E CB 0.090 29.765 29.700 -0.041 0.000 1.012 428 E HN -0.083 nan 8.360 nan 0.000 0.475 429 E N 2.157 122.285 120.200 -0.120 0.000 2.465 429 E HA -0.081 4.269 4.350 -0.001 0.000 0.260 429 E C 0.354 176.925 176.600 -0.049 0.000 0.980 429 E CA 0.251 56.660 56.400 0.015 0.000 0.927 429 E CB 0.737 30.448 29.700 0.018 0.000 0.934 429 E HN -0.055 nan 8.360 nan 0.000 0.459 430 K N 3.744 124.166 120.400 0.036 0.000 2.367 430 K HA 0.125 4.444 4.320 -0.001 0.000 0.195 430 K C 0.805 177.441 176.600 0.059 0.000 1.060 430 K CA 0.470 56.771 56.287 0.023 0.000 1.022 430 K CB 0.466 32.985 32.500 0.032 0.000 0.894 430 K HN 0.559 nan 8.250 nan 0.000 0.540 431 E N 0.292 120.553 120.200 0.101 0.000 2.110 431 E HA 0.115 4.464 4.350 -0.001 0.000 0.193 431 E C 0.263 176.961 176.600 0.164 0.000 0.950 431 E CA 0.085 56.566 56.400 0.136 0.000 0.840 431 E CB 0.434 30.207 29.700 0.121 0.000 0.809 431 E HN -0.019 nan 8.360 nan 0.000 0.465 432 I N 3.153 123.845 120.570 0.204 0.000 2.496 432 I HA 0.074 4.243 4.170 -0.001 0.000 0.285 432 I C 0.502 176.785 176.117 0.276 0.000 1.080 432 I CA -0.074 61.407 61.300 0.301 0.000 1.404 432 I CB 0.408 38.747 38.000 0.565 0.000 1.403 432 I HN -0.130 nan 8.210 nan 0.000 0.539 433 V N 5.310 125.369 119.914 0.242 0.000 3.126 433 V HA 0.671 4.791 4.120 -0.001 0.000 0.314 433 V C -0.221 175.997 176.094 0.207 0.000 1.138 433 V CA -0.991 61.429 62.300 0.201 0.000 1.034 433 V CB 2.235 34.126 31.823 0.113 0.000 1.075 433 V HN 0.537 nan 8.190 nan 0.000 0.442 434 L N 0.000 121.328 121.223 0.175 0.000 2.949 434 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 434 L CA 0.000 54.891 54.840 0.085 0.000 0.813 434 L CB 0.000 42.111 42.059 0.087 0.000 0.961 434 L HN 0.000 nan 8.230 nan 0.000 0.502