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 3fgw_1_A DATA FIRST_RESID 61 DATA SEQUENCE PPVSRTRSLL LDAASGQLRL EDGFHPDAVA WANLTNAIRE TGWAYLDLST DATA SEQUENCE NGRYNDSLQA YAAGVVEASV SEELIYMHWM NTVVNYcGPF EYEVGYcEKL DATA SEQUENCE KNFLEANLEW MQREMELNPD SPYWHQVRLT LLQLKGLEDS YEGRLTFPTG DATA SEQUENCE RFTIKPLGFL LLQISGDLED LEPALNKTNX XXXXGSGSCS ALIKLLPGGH DATA SEQUENCE DLLVAHNTWN SYQNMLRIIK KYRLQFREGP QEEYPLVAGN NLVFSSYPGT DATA SEQUENCE IFSGDDFYIL GSGLVTLETT IGNKNPALWK YVQPQGCVLE WIRNVVANRL DATA SEQUENCE ALDGATWADV FKRFNSGTYN NQWMIVDYKA FLPNGPSPGS RVLTILEQIP DATA SEQUENCE GMVVVADKTA ELYKTTYWAS YNIPYFETVF NASGLQALVA QYGDWFSYTK DATA SEQUENCE NPRAKIFQRD QSLVEDMDAM VRLMRYNDFL HDPLSLCEAC NPKPNAENAI DATA SEQUENCE SARSDLNPAN GSYPFQALHQ RAHGGIDVKV TSFTLAKYMS MLAASGPTWD DATA SEQUENCE QCPPFQWSKS PFHSMLHMGQ PDLWMFSPIR VPWD 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 61 P HA 0.000 nan 4.420 nan 0.000 0.216 61 P C 0.000 177.313 177.300 0.022 0.000 1.155 61 P CA 0.000 63.120 63.100 0.034 0.000 0.800 61 P CB 0.000 31.717 31.700 0.029 0.000 0.726 62 P HA 0.278 nan 4.420 nan 0.000 0.279 62 P C 0.741 178.047 177.300 0.011 0.000 1.282 62 P CA -0.586 62.523 63.100 0.016 0.000 0.788 62 P CB 0.311 32.023 31.700 0.019 0.000 1.139 63 V N -1.275 118.644 119.914 0.008 0.000 2.255 63 V HA -0.129 3.989 4.120 -0.004 0.000 0.247 63 V C 1.241 177.333 176.094 -0.003 0.000 1.051 63 V CA 2.170 64.472 62.300 0.004 0.000 1.018 63 V CB -0.598 31.227 31.823 0.004 0.000 0.641 63 V HN 0.692 nan 8.190 nan 0.000 0.445 64 S N -1.157 114.544 115.700 0.002 0.000 2.541 64 S HA 0.673 5.141 4.470 -0.004 0.000 0.280 64 S C -0.808 173.806 174.600 0.023 0.000 1.112 64 S CA -0.807 57.394 58.200 0.003 0.000 0.925 64 S CB 1.688 64.886 63.200 -0.003 0.000 1.067 64 S HN 0.421 nan 8.310 nan 0.000 0.479 65 R N 2.227 122.749 120.500 0.036 0.000 2.564 65 R HA 0.592 4.929 4.340 -0.004 0.000 0.284 65 R C -1.679 174.672 176.300 0.085 0.000 1.031 65 R CA -0.372 55.762 56.100 0.055 0.000 0.904 65 R CB 1.853 32.183 30.300 0.051 0.000 1.199 65 R HN 0.667 nan 8.270 nan 0.000 0.443 66 T N 4.110 118.726 114.554 0.103 0.000 2.848 66 T HA 0.578 4.926 4.350 -0.004 0.000 0.285 66 T C -0.797 173.996 174.700 0.155 0.000 0.995 66 T CA -0.933 61.256 62.100 0.149 0.000 0.970 66 T CB 1.293 70.260 68.868 0.164 0.000 0.976 66 T HN 0.301 nan 8.240 nan 0.000 0.441 67 R N 1.414 122.023 120.500 0.181 0.000 2.807 67 R HA 0.827 5.165 4.340 -0.004 0.000 0.276 67 R C -0.934 175.495 176.300 0.216 0.000 0.979 67 R CA -0.845 55.354 56.100 0.164 0.000 0.928 67 R CB 2.255 32.624 30.300 0.116 0.000 1.191 67 R HN 0.620 nan 8.270 nan 0.000 0.471 68 S N 1.042 116.844 115.700 0.170 0.000 2.548 68 S HA 0.542 5.010 4.470 -0.004 0.000 0.286 68 S C -1.302 173.333 174.600 0.058 0.000 1.098 68 S CA -0.661 57.642 58.200 0.171 0.000 0.930 68 S CB 2.105 65.410 63.200 0.175 0.000 1.070 68 S HN 0.361 nan 8.310 nan 0.000 0.480 69 L N 3.212 124.467 121.223 0.054 0.000 2.319 69 L HA 0.650 4.988 4.340 -0.004 0.000 0.281 69 L C -1.744 175.088 176.870 -0.063 0.000 1.005 69 L CA -0.378 54.450 54.840 -0.020 0.000 0.828 69 L CB 0.794 42.833 42.059 -0.034 0.000 1.227 69 L HN 0.520 nan 8.230 nan 0.000 0.415 70 L N 4.755 125.926 121.223 -0.086 0.000 2.325 70 L HA 0.467 4.805 4.340 -0.004 0.000 0.278 70 L C -0.553 176.258 176.870 -0.099 0.000 1.023 70 L CA -0.470 54.312 54.840 -0.096 0.000 0.811 70 L CB 1.671 43.673 42.059 -0.094 0.000 1.249 70 L HN 0.458 nan 8.230 nan 0.000 0.431 71 L N 2.759 123.919 121.223 -0.104 0.000 2.356 71 L HA 0.252 4.590 4.340 -0.004 0.000 0.282 71 L C -0.330 176.541 176.870 0.002 0.000 1.132 71 L CA -0.033 54.773 54.840 -0.057 0.000 0.923 71 L CB -0.201 41.841 42.059 -0.029 0.000 1.278 71 L HN 0.502 nan 8.230 nan 0.000 0.436 72 D N 3.330 123.723 120.400 -0.011 0.000 2.344 72 D HA 0.239 4.877 4.640 -0.004 0.000 0.253 72 D C 1.111 177.418 176.300 0.011 0.000 1.255 72 D CA 0.554 54.553 54.000 -0.003 0.000 0.894 72 D CB 1.413 42.205 40.800 -0.014 0.000 1.067 72 D HN 0.644 nan 8.370 nan 0.000 0.492 73 A N 3.740 126.572 122.820 0.020 0.000 2.168 73 A HA 0.103 4.421 4.320 -0.004 0.000 0.215 73 A C 1.996 179.589 177.584 0.016 0.000 1.152 73 A CA 1.019 53.071 52.037 0.024 0.000 0.716 73 A CB -0.235 18.782 19.000 0.028 0.000 0.794 73 A HN 0.624 nan 8.150 nan 0.000 0.465 74 A N -0.202 122.624 122.820 0.010 0.000 2.209 74 A HA 0.156 4.473 4.320 -0.004 0.000 0.212 74 A C 1.898 179.487 177.584 0.008 0.000 1.158 74 A CA 1.773 53.814 52.037 0.007 0.000 0.742 74 A CB -0.309 18.693 19.000 0.003 0.000 0.790 74 A HN 1.081 nan 8.150 nan 0.000 0.472 75 S N -4.643 111.063 115.700 0.010 0.000 2.560 75 S HA 0.391 4.859 4.470 -0.004 0.000 0.281 75 S C 1.252 175.862 174.600 0.016 0.000 1.075 75 S CA 1.084 59.291 58.200 0.011 0.000 1.295 75 S CB -0.420 62.785 63.200 0.008 0.000 1.156 75 S HN 1.898 nan 8.310 nan 0.000 0.627 76 G N 1.778 110.589 108.800 0.019 0.000 2.160 76 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.251 76 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.251 76 G C -0.159 174.756 174.900 0.025 0.000 1.008 76 G CA 0.519 45.634 45.100 0.025 0.000 0.724 76 G HN 0.604 nan 8.290 nan 0.000 0.514 77 Q N -0.966 118.844 119.800 0.017 0.000 2.240 77 Q HA 0.665 5.003 4.340 -0.004 0.000 0.260 77 Q C -0.050 175.954 176.000 0.006 0.000 1.018 77 Q CA -0.907 54.908 55.803 0.020 0.000 0.898 77 Q CB 1.633 30.383 28.738 0.020 0.000 1.301 77 Q HN 0.144 nan 8.270 nan 0.000 0.469 78 L N 1.588 122.821 121.223 0.018 0.000 2.289 78 L HA 0.473 4.811 4.340 -0.004 0.000 0.285 78 L C -0.057 176.817 176.870 0.006 0.000 1.049 78 L CA -0.077 54.765 54.840 0.003 0.000 0.804 78 L CB 0.897 42.978 42.059 0.037 0.000 1.195 78 L HN 0.558 nan 8.230 nan 0.000 0.428 79 R N 2.364 122.853 120.500 -0.018 0.000 2.698 79 R HA 0.655 4.993 4.340 -0.004 0.000 0.275 79 R C -1.468 174.810 176.300 -0.035 0.000 1.001 79 R CA -0.553 55.535 56.100 -0.020 0.000 0.896 79 R CB 1.432 31.718 30.300 -0.023 0.000 1.218 79 R HN 0.488 nan 8.270 nan 0.000 0.462 80 L N 2.381 123.589 121.223 -0.025 0.000 2.375 80 L HA 0.480 4.818 4.340 -0.004 0.000 0.271 80 L C 0.254 177.100 176.870 -0.041 0.000 1.107 80 L CA -0.014 54.812 54.840 -0.023 0.000 0.806 80 L CB 1.306 43.364 42.059 -0.001 0.000 1.146 80 L HN 0.625 nan 8.230 nan 0.000 0.447 81 E N 0.554 120.725 120.200 -0.048 0.000 2.393 81 E HA 0.395 4.743 4.350 -0.004 0.000 0.265 81 E C -1.609 175.017 176.600 0.044 0.000 0.941 81 E CA -0.948 55.413 56.400 -0.065 0.000 0.801 81 E CB 1.849 31.376 29.700 -0.288 0.000 1.313 81 E HN 0.430 nan 8.360 nan 0.000 0.435 82 D N 0.018 120.481 120.400 0.105 0.000 2.308 82 D HA 0.549 5.187 4.640 -0.004 0.000 0.242 82 D C -0.076 176.369 176.300 0.243 0.000 1.059 82 D CA 0.395 54.483 54.000 0.147 0.000 0.830 82 D CB 1.609 42.467 40.800 0.096 0.000 1.161 82 D HN 0.703 nan 8.370 nan 0.000 0.494 83 G N 1.090 110.005 108.800 0.192 0.000 2.661 83 G HA2 -0.123 3.835 3.960 -0.004 0.000 0.685 83 G HA3 -0.123 3.835 3.960 -0.004 0.000 0.685 83 G C -0.745 174.214 174.900 0.099 0.000 1.298 83 G CA -1.091 44.083 45.100 0.122 0.000 0.855 83 G HN 0.394 nan 8.290 nan 0.000 0.560 84 F N 1.417 121.258 119.950 -0.182 0.000 2.484 84 F HA 0.655 5.180 4.527 -0.004 0.000 0.360 84 F C 0.510 175.957 175.800 -0.587 0.000 1.101 84 F CA 0.049 57.870 58.000 -0.297 0.000 1.251 84 F CB 0.586 39.401 39.000 -0.309 0.000 1.132 84 F HN 0.598 nan 8.300 nan 0.000 0.570 85 H N 6.740 125.113 119.070 -1.161 0.000 2.840 85 H HA 0.253 4.807 4.556 -0.004 0.000 0.340 85 H C -1.947 172.587 175.328 -1.323 0.000 1.004 85 H CA -1.562 53.933 56.048 -0.922 0.000 1.288 85 H CB 1.421 30.947 29.762 -0.392 0.000 1.607 85 H HN 0.325 nan 8.280 nan 0.000 0.522 86 P HA -0.139 nan 4.420 nan 0.000 0.217 86 P C 0.147 177.266 177.300 -0.302 0.000 1.150 86 P CA 1.159 63.864 63.100 -0.658 0.000 0.832 86 P CB 0.551 32.164 31.700 -0.145 0.000 0.787 87 D N -0.564 119.758 120.400 -0.129 0.000 2.336 87 D HA 0.254 4.892 4.640 -0.004 0.000 0.228 87 D C 0.716 177.102 176.300 0.144 0.000 1.120 87 D CA -0.092 53.944 54.000 0.060 0.000 0.839 87 D CB -0.337 40.502 40.800 0.065 0.000 0.932 87 D HN 0.137 nan 8.370 nan 0.000 0.509 88 A N 0.051 122.909 122.820 0.064 0.000 2.386 88 A HA 0.209 4.527 4.320 -0.004 0.000 0.248 88 A C 1.677 179.381 177.584 0.199 0.000 1.082 88 A CA -0.413 51.690 52.037 0.111 0.000 0.789 88 A CB 0.726 19.801 19.000 0.125 0.000 1.025 88 A HN 0.039 nan 8.150 nan 0.000 0.490 89 V N 0.903 120.747 119.914 -0.115 0.000 2.343 89 V HA 0.126 4.244 4.120 -0.004 0.000 0.247 89 V C 1.266 177.329 176.094 -0.052 0.000 1.051 89 V CA 2.166 64.264 62.300 -0.337 0.000 1.036 89 V CB -1.398 30.075 31.823 -0.584 0.000 0.654 89 V HN 1.197 nan 8.190 nan 0.000 0.451 90 A N -0.902 121.934 122.820 0.026 0.000 2.606 90 A HA 0.685 5.003 4.320 -0.004 0.000 0.293 90 A C -1.982 175.717 177.584 0.191 0.000 1.082 90 A CA -0.534 51.471 52.037 -0.054 0.000 0.685 90 A CB 1.219 20.139 19.000 -0.133 0.000 1.284 90 A HN 0.528 nan 8.150 nan 0.000 0.408 91 W N -0.226 121.097 121.300 0.039 0.000 3.256 91 W HA 0.824 5.482 4.660 -0.003 0.000 0.324 91 W C -0.522 176.069 176.519 0.120 0.000 1.196 91 W CA -0.486 56.904 57.345 0.075 0.000 1.206 91 W CB 1.218 30.733 29.460 0.092 0.000 1.385 91 W HN 1.276 nan 8.180 nan 0.000 0.522 92 A N 2.841 125.832 122.820 0.285 0.000 2.413 92 A HA 0.745 5.063 4.320 -0.004 0.000 0.307 92 A C -1.614 176.122 177.584 0.254 0.000 1.087 92 A CA -0.895 51.272 52.037 0.215 0.000 0.750 92 A CB 1.978 21.061 19.000 0.140 0.000 1.296 92 A HN 0.684 nan 8.150 nan 0.000 0.423 93 N N 1.119 119.959 118.700 0.233 0.000 2.549 93 N HA 0.388 5.126 4.740 -0.004 0.000 0.281 93 N C -2.217 173.356 175.510 0.106 0.000 1.084 93 N CA -0.316 52.849 53.050 0.191 0.000 0.862 93 N CB 1.312 39.948 38.487 0.248 0.000 1.333 93 N HN 0.568 nan 8.380 nan 0.000 0.523 94 L N 3.037 124.294 121.223 0.057 0.000 2.265 94 L HA 0.564 4.902 4.340 -0.004 0.000 0.289 94 L C -0.452 176.392 176.870 -0.044 0.000 1.033 94 L CA -0.031 54.806 54.840 -0.005 0.000 0.814 94 L CB 1.209 43.278 42.059 0.015 0.000 1.203 94 L HN 0.418 nan 8.230 nan 0.000 0.423 95 T N 4.301 118.786 114.554 -0.114 0.000 2.743 95 T HA 0.279 4.627 4.350 -0.004 0.000 0.292 95 T C -0.209 174.488 174.700 -0.005 0.000 0.972 95 T CA -0.396 61.653 62.100 -0.084 0.000 0.967 95 T CB 0.268 69.010 68.868 -0.210 0.000 0.926 95 T HN 0.497 nan 8.240 nan 0.000 0.459 96 N N 2.499 121.194 118.700 -0.008 0.000 2.422 96 N HA 0.418 5.155 4.740 -0.004 0.000 0.264 96 N C -0.359 175.161 175.510 0.016 0.000 1.063 96 N CA -0.420 52.618 53.050 -0.020 0.000 0.959 96 N CB 1.120 39.595 38.487 -0.021 0.000 1.087 96 N HN 0.727 nan 8.380 nan 0.000 0.483 97 A N 4.852 127.678 122.820 0.010 0.000 2.663 97 A HA 0.281 4.599 4.320 -0.004 0.000 0.273 97 A C 1.319 178.852 177.584 -0.084 0.000 0.932 97 A CA -0.387 51.679 52.037 0.048 0.000 1.055 97 A CB -0.327 18.828 19.000 0.258 0.000 1.206 97 A HN 0.733 nan 8.150 nan 0.000 0.485 98 I N -0.881 119.593 120.570 -0.159 0.000 2.493 98 I HA -0.169 3.999 4.170 -0.004 0.000 0.254 98 I C 2.539 178.449 176.117 -0.345 0.000 1.160 98 I CA 1.056 62.175 61.300 -0.301 0.000 1.445 98 I CB -0.076 37.800 38.000 -0.207 0.000 1.086 98 I HN 0.460 nan 8.210 nan 0.000 0.433 99 R N 0.697 121.113 120.500 -0.141 0.000 2.115 99 R HA -0.135 4.203 4.340 -0.004 0.000 0.226 99 R C 1.933 178.304 176.300 0.117 0.000 1.100 99 R CA 1.306 57.391 56.100 -0.026 0.000 0.980 99 R CB 0.189 30.485 30.300 -0.007 0.000 0.875 99 R HN 0.326 nan 8.270 nan 0.000 0.445 100 E N -1.814 118.428 120.200 0.070 0.000 2.162 100 E HA -0.028 4.320 4.350 -0.004 0.000 0.193 100 E C 1.513 178.263 176.600 0.251 0.000 0.953 100 E CA 1.449 57.956 56.400 0.179 0.000 0.849 100 E CB 0.459 30.226 29.700 0.113 0.000 0.810 100 E HN 0.350 nan 8.360 nan 0.000 0.470 101 T N -4.422 110.104 114.554 -0.046 0.000 2.958 101 T HA 0.370 4.718 4.350 -0.004 0.000 0.256 101 T C 1.607 175.873 174.700 -0.724 0.000 0.983 101 T CA 0.254 62.327 62.100 -0.045 0.000 0.924 101 T CB 0.858 69.891 68.868 0.275 0.000 1.136 101 T HN 0.257 nan 8.240 nan 0.000 0.506 102 G N 0.689 108.752 108.800 -1.229 0.000 2.157 102 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.248 102 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.248 102 G C -0.287 174.051 174.900 -0.936 0.000 0.979 102 G CA -0.158 44.136 45.100 -1.344 0.000 0.650 102 G HN 0.590 nan 8.290 nan 0.000 0.529 103 W N 0.180 121.218 121.300 -0.436 0.000 2.819 103 W HA 0.781 5.439 4.660 -0.003 0.000 0.337 103 W C 0.192 176.250 176.519 -0.768 0.000 1.077 103 W CA -0.552 56.457 57.345 -0.560 0.000 1.226 103 W CB 1.864 30.937 29.460 -0.645 0.000 1.419 103 W HN 0.487 nan 8.180 nan 0.000 0.502 104 A N 2.017 124.575 122.820 -0.437 0.000 2.294 104 A HA 0.868 5.186 4.320 -0.004 0.000 0.330 104 A C -1.919 175.225 177.584 -0.734 0.000 1.133 104 A CA -0.512 51.230 52.037 -0.492 0.000 0.836 104 A CB 0.569 19.434 19.000 -0.226 0.000 1.190 104 A HN 0.610 nan 8.150 nan 0.000 0.492 105 Y N 0.104 120.250 120.300 -0.257 0.000 2.361 105 Y HA 0.568 5.116 4.550 -0.004 0.000 0.337 105 Y C -0.542 175.092 175.900 -0.444 0.000 0.965 105 Y CA -0.754 57.058 58.100 -0.479 0.000 1.091 105 Y CB 1.954 39.798 38.460 -1.027 0.000 1.182 105 Y HN 0.562 nan 8.280 nan 0.000 0.450 106 L N 3.654 124.841 121.223 -0.060 0.000 2.376 106 L HA 0.581 4.918 4.340 -0.004 0.000 0.275 106 L C -1.447 175.631 176.870 0.347 0.000 0.987 106 L CA -0.441 54.453 54.840 0.089 0.000 0.828 106 L CB 1.647 43.745 42.059 0.065 0.000 1.249 106 L HN 0.685 nan 8.230 nan 0.000 0.409 107 D N 4.462 125.125 120.400 0.438 0.000 2.381 107 D HA 0.473 5.111 4.640 -0.004 0.000 0.235 107 D C -1.480 174.996 176.300 0.294 0.000 1.068 107 D CA -0.057 54.223 54.000 0.467 0.000 0.832 107 D CB 1.181 42.359 40.800 0.629 0.000 1.101 107 D HN 0.645 nan 8.370 nan 0.000 0.515 108 L N 3.123 124.488 121.223 0.237 0.000 2.362 108 L HA 0.689 5.027 4.340 -0.004 0.000 0.275 108 L C -1.075 175.738 176.870 -0.095 0.000 0.998 108 L CA -0.368 54.526 54.840 0.089 0.000 0.820 108 L CB 1.753 43.911 42.059 0.165 0.000 1.270 108 L HN 0.381 nan 8.230 nan 0.000 0.415 109 S N 1.590 117.019 115.700 -0.452 0.000 2.541 109 S HA 0.783 5.251 4.470 -0.004 0.000 0.280 109 S C -0.765 173.261 174.600 -0.956 0.000 1.112 109 S CA -0.341 57.451 58.200 -0.681 0.000 0.925 109 S CB 1.698 64.461 63.200 -0.728 0.000 1.067 109 S HN 0.755 nan 8.310 nan 0.000 0.479 110 T N 1.385 115.579 114.554 -0.602 0.000 2.912 110 T HA 0.530 4.878 4.350 -0.004 0.000 0.288 110 T C -0.584 173.997 174.700 -0.199 0.000 1.030 110 T CA -0.933 60.930 62.100 -0.395 0.000 1.020 110 T CB 1.264 70.025 68.868 -0.178 0.000 1.056 110 T HN 0.480 nan 8.240 nan 0.000 0.480 111 N N 0.657 119.382 118.700 0.042 0.000 2.422 111 N HA 0.253 4.991 4.740 -0.004 0.000 0.264 111 N C 1.086 176.759 175.510 0.272 0.000 1.063 111 N CA -0.155 53.067 53.050 0.286 0.000 0.959 111 N CB 1.300 40.098 38.487 0.518 0.000 1.087 111 N HN 0.980 nan 8.380 nan 0.000 0.483 112 G N 2.948 111.867 108.800 0.199 0.000 3.279 112 G HA2 -0.012 3.946 3.960 -0.004 0.000 0.230 112 G HA3 -0.012 3.946 3.960 -0.004 0.000 0.230 112 G C 1.051 176.021 174.900 0.116 0.000 1.230 112 G CA -0.077 45.117 45.100 0.157 0.000 0.891 112 G HN 0.595 nan 8.290 nan 0.000 0.518 113 R N -1.031 119.520 120.500 0.086 0.000 2.365 113 R HA 0.203 4.541 4.340 -0.004 0.000 0.223 113 R C -0.421 175.732 176.300 -0.245 0.000 0.899 113 R CA -0.147 55.896 56.100 -0.094 0.000 1.059 113 R CB 0.452 30.643 30.300 -0.181 0.000 1.086 113 R HN 0.405 nan 8.270 nan 0.000 0.522 114 Y N 1.449 121.787 120.300 0.064 0.000 2.488 114 Y HA 0.151 4.699 4.550 -0.004 0.000 0.325 114 Y C 0.559 176.496 175.900 0.063 0.000 1.204 114 Y CA -1.558 56.568 58.100 0.043 0.000 1.229 114 Y CB 0.570 39.041 38.460 0.018 0.000 1.274 114 Y HN 0.022 nan 8.280 nan 0.000 0.493 115 N N 0.094 118.924 118.700 0.217 0.000 2.453 115 N HA -0.005 4.733 4.740 -0.004 0.000 0.253 115 N C -0.200 175.412 175.510 0.170 0.000 1.252 115 N CA -0.189 52.962 53.050 0.168 0.000 0.917 115 N CB 0.474 39.049 38.487 0.148 0.000 1.117 115 N HN 0.535 nan 8.380 nan 0.000 0.442 116 D N 0.154 120.648 120.400 0.157 0.000 2.149 116 D HA -0.156 4.481 4.640 -0.004 0.000 0.198 116 D C 1.320 177.580 176.300 -0.067 0.000 0.990 116 D CA 1.648 55.685 54.000 0.063 0.000 0.839 116 D CB -0.333 40.476 40.800 0.014 0.000 0.948 116 D HN 0.540 nan 8.370 nan 0.000 0.460 117 S N 0.148 115.875 115.700 0.044 0.000 2.359 117 S HA -0.128 4.340 4.470 -0.004 0.000 0.224 117 S C 1.778 176.519 174.600 0.235 0.000 1.035 117 S CA 0.518 58.792 58.200 0.124 0.000 1.018 117 S CB -0.334 63.019 63.200 0.256 0.000 0.876 117 S HN 0.169 nan 8.310 nan 0.000 0.448 118 L N 1.756 123.009 121.223 0.051 0.000 2.072 118 L HA -0.045 4.293 4.340 -0.004 0.000 0.205 118 L C 2.341 179.157 176.870 -0.090 0.000 1.079 118 L CA 1.649 56.286 54.840 -0.340 0.000 0.752 118 L CB -0.786 40.969 42.059 -0.507 0.000 0.906 118 L HN 0.259 nan 8.230 nan 0.000 0.436 119 Q N -0.642 119.182 119.800 0.041 0.000 2.045 119 Q HA -0.277 4.061 4.340 -0.004 0.000 0.206 119 Q C 2.227 178.345 176.000 0.195 0.000 0.991 119 Q CA 2.071 57.962 55.803 0.146 0.000 0.851 119 Q CB -0.457 28.498 28.738 0.362 0.000 0.911 119 Q HN 0.696 nan 8.270 nan 0.000 0.418 120 A N 0.235 123.166 122.820 0.185 0.000 1.858 120 A HA -0.237 4.081 4.320 -0.004 0.000 0.216 120 A C 1.929 179.592 177.584 0.132 0.000 1.190 120 A CA 1.578 53.710 52.037 0.157 0.000 0.617 120 A CB -1.083 17.832 19.000 -0.143 0.000 0.827 120 A HN 0.529 nan 8.150 nan 0.000 0.443 121 Y N 0.677 120.994 120.300 0.028 0.000 2.207 121 Y HA -0.135 4.413 4.550 -0.004 0.000 0.287 121 Y C 2.610 178.516 175.900 0.009 0.000 1.156 121 Y CA 1.238 59.363 58.100 0.042 0.000 1.182 121 Y CB -0.426 38.140 38.460 0.177 0.000 0.979 121 Y HN 0.315 nan 8.280 nan 0.000 0.521 122 A N 0.211 123.029 122.820 -0.002 0.000 1.898 122 A HA -0.045 4.273 4.320 -0.004 0.000 0.216 122 A C 2.423 179.944 177.584 -0.106 0.000 1.181 122 A CA 1.544 53.524 52.037 -0.094 0.000 0.620 122 A CB -1.443 17.502 19.000 -0.092 0.000 0.819 122 A HN 0.559 nan 8.150 nan 0.000 0.442 123 A N -0.431 122.346 122.820 -0.072 0.000 1.978 123 A HA 0.058 4.376 4.320 -0.004 0.000 0.220 123 A C 2.310 179.830 177.584 -0.107 0.000 1.170 123 A CA 2.007 53.976 52.037 -0.113 0.000 0.636 123 A CB -1.205 17.722 19.000 -0.121 0.000 0.810 123 A HN 0.700 nan 8.150 nan 0.000 0.448 124 G N -0.864 107.880 108.800 -0.094 0.000 2.394 124 G HA2 0.002 3.960 3.960 -0.004 0.000 0.215 124 G HA3 0.002 3.960 3.960 -0.004 0.000 0.215 124 G C 1.485 176.336 174.900 -0.081 0.000 1.165 124 G CA 1.038 46.097 45.100 -0.067 0.000 0.784 124 G HN 0.298 nan 8.290 nan 0.000 0.535 125 V N 1.412 121.226 119.914 -0.168 0.000 2.261 125 V HA -0.205 3.912 4.120 -0.004 0.000 0.246 125 V C 3.224 179.299 176.094 -0.032 0.000 1.047 125 V CA 1.952 64.175 62.300 -0.128 0.000 1.015 125 V CB -0.661 31.050 31.823 -0.187 0.000 0.642 125 V HN 0.374 nan 8.190 nan 0.000 0.446 126 V N -0.700 119.199 119.914 -0.024 0.000 2.407 126 V HA -0.281 3.836 4.120 -0.004 0.000 0.248 126 V C 2.287 178.413 176.094 0.053 0.000 1.055 126 V CA 2.421 64.737 62.300 0.028 0.000 1.049 126 V CB -0.941 30.907 31.823 0.040 0.000 0.662 126 V HN 0.671 nan 8.190 nan 0.000 0.455 127 E N 1.422 121.648 120.200 0.044 0.000 2.051 127 E HA -0.187 4.161 4.350 -0.004 0.000 0.192 127 E C 2.207 178.855 176.600 0.080 0.000 0.991 127 E CA 1.635 58.082 56.400 0.079 0.000 0.799 127 E CB -0.477 29.281 29.700 0.097 0.000 0.748 127 E HN 0.652 nan 8.360 nan 0.000 0.449 128 A N 0.343 123.208 122.820 0.076 0.000 1.933 128 A HA -0.163 4.155 4.320 -0.004 0.000 0.218 128 A C 2.369 180.030 177.584 0.130 0.000 1.175 128 A CA 1.846 53.953 52.037 0.115 0.000 0.628 128 A CB -0.548 18.549 19.000 0.162 0.000 0.814 128 A HN 0.304 nan 8.150 nan 0.000 0.444 129 S N -0.496 115.260 115.700 0.093 0.000 2.383 129 S HA -0.118 4.350 4.470 -0.004 0.000 0.227 129 S C 1.956 176.604 174.600 0.079 0.000 1.026 129 S CA 1.496 59.743 58.200 0.078 0.000 0.981 129 S CB -0.539 62.696 63.200 0.058 0.000 0.818 129 S HN 0.844 nan 8.310 nan 0.000 0.472 130 V N 0.757 120.721 119.914 0.083 0.000 2.871 130 V HA 0.117 4.235 4.120 -0.004 0.000 0.256 130 V C 1.384 177.521 176.094 0.072 0.000 1.082 130 V CA 1.407 63.755 62.300 0.079 0.000 1.105 130 V CB -0.554 31.323 31.823 0.089 0.000 0.713 130 V HN 0.507 nan 8.190 nan 0.000 0.473 131 S N -1.850 113.899 115.700 0.082 0.000 2.741 131 S HA 0.321 4.789 4.470 -0.004 0.000 0.247 131 S C 1.003 175.675 174.600 0.120 0.000 1.050 131 S CA -0.028 58.219 58.200 0.078 0.000 1.025 131 S CB 0.167 63.399 63.200 0.053 0.000 0.897 131 S HN 0.589 nan 8.310 nan 0.000 0.508 132 E N 2.009 122.298 120.200 0.149 0.000 2.048 132 E HA -0.257 4.090 4.350 -0.004 0.000 0.202 132 E C 1.550 178.317 176.600 0.278 0.000 1.021 132 E CA 2.206 58.746 56.400 0.233 0.000 0.825 132 E CB -0.151 29.626 29.700 0.129 0.000 0.756 132 E HN 0.659 nan 8.360 nan 0.000 0.454 133 E N 0.632 120.946 120.200 0.190 0.000 2.077 133 E HA -0.152 4.196 4.350 -0.004 0.000 0.193 133 E C 2.148 178.902 176.600 0.257 0.000 0.989 133 E CA 0.757 57.288 56.400 0.218 0.000 0.800 133 E CB -0.148 29.633 29.700 0.135 0.000 0.746 133 E HN 0.209 nan 8.360 nan 0.000 0.452 134 L N 0.337 121.663 121.223 0.172 0.000 2.046 134 L HA -0.176 4.162 4.340 -0.004 0.000 0.208 134 L C 2.337 179.308 176.870 0.168 0.000 1.077 134 L CA 1.009 55.933 54.840 0.140 0.000 0.747 134 L CB -0.371 41.727 42.059 0.065 0.000 0.896 134 L HN 0.180 nan 8.230 nan 0.000 0.432 135 I N -1.312 119.345 120.570 0.145 0.000 2.163 135 I HA -0.378 3.790 4.170 -0.004 0.000 0.243 135 I C 2.565 178.798 176.117 0.193 0.000 1.085 135 I CA 1.613 62.956 61.300 0.071 0.000 1.347 135 I CB -0.431 37.490 38.000 -0.132 0.000 1.044 135 I HN 0.216 nan 8.210 nan 0.000 0.408 136 Y N 1.434 121.862 120.300 0.213 0.000 2.128 136 Y HA -0.296 4.252 4.550 -0.003 0.000 0.284 136 Y C 2.541 178.606 175.900 0.275 0.000 1.154 136 Y CA 1.807 60.076 58.100 0.282 0.000 1.149 136 Y CB -0.280 38.355 38.460 0.291 0.000 0.976 136 Y HN 0.023 nan 8.280 nan 0.000 0.505 137 M N -1.229 118.463 119.600 0.153 0.000 2.086 137 M HA -0.222 4.256 4.480 -0.004 0.000 0.261 137 M C 2.233 178.573 176.300 0.066 0.000 1.067 137 M CA 2.091 57.417 55.300 0.043 0.000 1.116 137 M CB -0.684 32.007 32.600 0.152 0.000 1.348 137 M HN 0.360 nan 8.290 nan 0.000 0.407 138 H N -0.196 118.909 119.070 0.058 0.000 2.353 138 H HA -0.232 4.322 4.556 -0.004 0.000 0.300 138 H C 1.863 177.221 175.328 0.051 0.000 1.090 138 H CA 2.147 58.230 56.048 0.059 0.000 1.327 138 H CB -0.277 29.530 29.762 0.075 0.000 1.383 138 H HN 0.504 nan 8.280 nan 0.000 0.508 139 W N 0.373 121.610 121.300 -0.105 0.000 2.338 139 W HA -0.216 4.442 4.660 -0.004 0.000 0.304 139 W C 1.308 177.722 176.519 -0.175 0.000 1.212 139 W CA 1.366 58.629 57.345 -0.136 0.000 1.264 139 W CB -0.223 29.215 29.460 -0.037 0.000 1.142 139 W HN 0.260 nan 8.180 nan 0.000 0.512 140 M N 0.565 120.124 119.600 -0.068 0.000 2.374 140 M HA -0.146 4.332 4.480 -0.004 0.000 0.264 140 M C 1.279 177.475 176.300 -0.173 0.000 1.067 140 M CA 1.458 56.656 55.300 -0.170 0.000 1.103 140 M CB -1.423 30.991 32.600 -0.309 0.000 1.402 140 M HN 0.173 nan 8.290 nan 0.000 0.444 141 N N -0.840 117.757 118.700 -0.171 0.000 2.402 141 N HA -0.062 4.676 4.740 -0.004 0.000 0.174 141 N C 1.625 177.016 175.510 -0.199 0.000 1.027 141 N CA 1.399 54.364 53.050 -0.142 0.000 0.891 141 N CB 0.254 38.703 38.487 -0.063 0.000 1.016 141 N HN 0.412 nan 8.380 nan 0.000 0.439 142 T N -1.668 112.686 114.554 -0.333 0.000 3.146 142 T HA 0.054 4.401 4.350 -0.004 0.000 0.235 142 T C 1.284 175.762 174.700 -0.369 0.000 0.985 142 T CA 0.481 62.360 62.100 -0.370 0.000 1.265 142 T CB -0.499 68.040 68.868 -0.549 0.000 0.946 142 T HN -0.018 nan 8.240 nan 0.000 0.418 143 V N 0.531 120.118 119.914 -0.545 0.000 2.854 143 V HA 0.618 4.736 4.120 -0.004 0.000 0.366 143 V C 1.575 177.178 176.094 -0.819 0.000 1.322 143 V CA -0.526 61.425 62.300 -0.582 0.000 1.243 143 V CB -0.186 31.273 31.823 -0.607 0.000 1.337 143 V HN 0.289 nan 8.190 nan 0.000 0.585 144 V N 1.695 121.223 119.914 -0.644 0.000 2.379 144 V HA -0.024 4.094 4.120 -0.004 0.000 0.245 144 V C 1.764 177.779 176.094 -0.131 0.000 1.044 144 V CA 2.626 64.636 62.300 -0.484 0.000 1.036 144 V CB -0.110 31.583 31.823 -0.217 0.000 0.664 144 V HN 0.740 nan 8.190 nan 0.000 0.453 145 N N -1.357 117.306 118.700 -0.061 0.000 2.203 145 N HA 0.145 4.883 4.740 -0.004 0.000 0.207 145 N C -0.353 175.195 175.510 0.063 0.000 1.130 145 N CA -0.254 52.826 53.050 0.049 0.000 0.861 145 N CB 0.074 38.603 38.487 0.071 0.000 1.005 145 N HN 0.626 nan 8.380 nan 0.000 0.507 146 Y N 0.923 121.172 120.300 -0.087 0.000 2.605 146 Y HA 0.023 4.571 4.550 -0.003 0.000 0.336 146 Y C 0.578 176.483 175.900 0.007 0.000 1.111 146 Y CA -0.402 57.671 58.100 -0.046 0.000 1.422 146 Y CB 0.030 38.431 38.460 -0.099 0.000 1.193 146 Y HN 0.156 nan 8.280 nan 0.000 0.526 147 c N 4.593 123.032 118.600 -0.269 0.000 3.899 147 c HA -0.184 4.384 4.570 -0.004 0.000 0.297 147 c C 1.326 175.401 174.090 -0.025 0.000 1.371 147 c CA 0.480 56.730 56.329 -0.132 0.000 2.088 147 c CB -2.383 40.064 42.510 -0.104 0.000 1.346 147 c HN 1.193 nan 8.230 nan 0.000 0.658 148 G N 0.971 109.770 108.800 -0.001 0.000 2.553 148 G HA2 0.479 4.437 3.960 -0.004 0.000 0.278 148 G HA3 0.479 4.437 3.960 -0.004 0.000 0.278 148 G C -0.928 173.869 174.900 -0.173 0.000 1.349 148 G CA -0.249 44.840 45.100 -0.018 0.000 1.037 148 G HN 0.316 nan 8.290 nan 0.000 0.508 149 P HA 0.151 nan 4.420 nan 0.000 0.252 149 P C -0.094 176.749 177.300 -0.761 0.000 1.265 149 P CA 0.650 63.356 63.100 -0.657 0.000 0.775 149 P CB -0.070 31.116 31.700 -0.856 0.000 1.128 150 F N -2.222 117.741 119.950 0.023 0.000 2.876 150 F HA 0.225 4.750 4.527 -0.004 0.000 0.344 150 F C 0.876 176.696 175.800 0.032 0.000 1.029 150 F CA -0.805 57.212 58.000 0.028 0.000 1.154 150 F CB -0.580 38.439 39.000 0.032 0.000 1.040 150 F HN -0.246 nan 8.300 nan 0.000 0.576 151 E N 1.256 121.543 120.200 0.145 0.000 2.900 151 E HA -0.245 4.103 4.350 -0.004 0.000 0.259 151 E C 1.069 177.740 176.600 0.118 0.000 0.918 151 E CA 0.237 56.695 56.400 0.096 0.000 0.960 151 E CB -0.077 29.622 29.700 -0.002 0.000 0.908 151 E HN 0.399 nan 8.360 nan 0.000 0.511 152 Y N 4.359 124.676 120.300 0.029 0.000 2.165 152 Y HA -0.133 4.415 4.550 -0.004 0.000 0.286 152 Y C 0.947 176.856 175.900 0.014 0.000 1.155 152 Y CA 2.024 60.136 58.100 0.021 0.000 1.164 152 Y CB 0.123 38.586 38.460 0.004 0.000 0.978 152 Y HN 0.652 nan 8.280 nan 0.000 0.513 153 E N 0.586 120.653 120.200 -0.222 0.000 1.979 153 E HA 0.098 4.446 4.350 -0.004 0.000 0.285 153 E C 1.033 177.563 176.600 -0.117 0.000 1.188 153 E CA -0.205 56.028 56.400 -0.279 0.000 1.214 153 E CB 0.143 29.775 29.700 -0.113 0.000 1.210 153 E HN 0.346 nan 8.360 nan 0.000 0.477 154 V N 2.587 122.410 119.914 -0.151 0.000 2.759 154 V HA -0.119 3.999 4.120 -0.004 0.000 0.256 154 V C 1.695 177.749 176.094 -0.068 0.000 1.080 154 V CA 2.171 64.422 62.300 -0.082 0.000 1.101 154 V CB -0.069 31.712 31.823 -0.070 0.000 0.698 154 V HN 0.719 nan 8.190 nan 0.000 0.477 155 G N -1.204 107.554 108.800 -0.071 0.000 2.404 155 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.215 155 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.215 155 G C 1.466 176.357 174.900 -0.014 0.000 1.174 155 G CA 1.084 46.159 45.100 -0.042 0.000 0.780 155 G HN 0.612 nan 8.290 nan 0.000 0.537 156 Y N 1.022 121.259 120.300 -0.105 0.000 2.145 156 Y HA -0.190 4.358 4.550 -0.004 0.000 0.286 156 Y C 2.800 178.653 175.900 -0.078 0.000 1.145 156 Y CA 1.559 59.602 58.100 -0.094 0.000 1.148 156 Y CB -0.646 37.746 38.460 -0.113 0.000 0.981 156 Y HN 0.225 nan 8.280 nan 0.000 0.507 157 c N 0.655 119.121 118.600 -0.223 0.000 2.422 157 c HA -0.137 4.431 4.570 -0.004 0.000 0.279 157 c C 2.632 176.586 174.090 -0.225 0.000 1.305 157 c CA 1.423 57.578 56.329 -0.291 0.000 1.757 157 c CB -1.221 41.219 42.510 -0.117 0.000 1.962 157 c HN 0.744 nan 8.230 nan 0.000 0.499 158 E N 1.669 121.778 120.200 -0.150 0.000 2.051 158 E HA -0.176 4.172 4.350 -0.004 0.000 0.192 158 E C 2.059 178.594 176.600 -0.107 0.000 0.991 158 E CA 1.581 57.921 56.400 -0.101 0.000 0.799 158 E CB -0.292 29.369 29.700 -0.066 0.000 0.748 158 E HN 0.498 nan 8.360 nan 0.000 0.449 159 K N -0.207 120.106 120.400 -0.145 0.000 2.097 159 K HA -0.120 4.198 4.320 -0.004 0.000 0.206 159 K C 2.177 178.702 176.600 -0.125 0.000 1.049 159 K CA 1.201 57.422 56.287 -0.111 0.000 0.933 159 K CB -0.246 32.193 32.500 -0.102 0.000 0.717 159 K HN 0.195 nan 8.250 nan 0.000 0.442 160 L N 1.634 122.667 121.223 -0.316 0.000 2.109 160 L HA -0.104 4.234 4.340 -0.004 0.000 0.207 160 L C 2.201 179.050 176.870 -0.034 0.000 1.086 160 L CA 1.715 56.406 54.840 -0.250 0.000 0.760 160 L CB -0.246 41.504 42.059 -0.515 0.000 0.910 160 L HN -0.105 nan 8.230 nan 0.000 0.437 161 K N -0.213 120.152 120.400 -0.059 0.000 2.057 161 K HA -0.132 4.186 4.320 -0.004 0.000 0.207 161 K C 1.899 178.519 176.600 0.033 0.000 1.049 161 K CA 1.519 57.807 56.287 0.003 0.000 0.931 161 K CB -0.159 32.329 32.500 -0.020 0.000 0.714 161 K HN 0.346 nan 8.250 nan 0.000 0.440 162 N N -0.260 118.456 118.700 0.026 0.000 2.142 162 N HA -0.140 4.598 4.740 -0.004 0.000 0.186 162 N C 1.595 177.146 175.510 0.068 0.000 1.023 162 N CA 1.113 54.183 53.050 0.034 0.000 0.852 162 N CB -0.418 38.081 38.487 0.021 0.000 0.998 162 N HN 0.178 nan 8.380 nan 0.000 0.424 163 F N 1.645 121.576 119.950 -0.032 0.000 2.095 163 F HA -0.083 4.442 4.527 -0.004 0.000 0.298 163 F C 2.063 177.876 175.800 0.021 0.000 1.104 163 F CA 1.210 59.204 58.000 -0.010 0.000 1.232 163 F CB -0.171 38.819 39.000 -0.018 0.000 0.987 163 F HN -0.064 nan 8.300 nan 0.000 0.475 164 L N -0.214 121.171 121.223 0.271 0.000 2.072 164 L HA -0.161 4.177 4.340 -0.004 0.000 0.205 164 L C 2.360 179.280 176.870 0.083 0.000 1.079 164 L CA 1.417 56.381 54.840 0.206 0.000 0.752 164 L CB -0.709 41.483 42.059 0.222 0.000 0.906 164 L HN 0.143 nan 8.230 nan 0.000 0.436 165 E N 0.166 120.398 120.200 0.053 0.000 2.077 165 E HA -0.221 4.127 4.350 -0.004 0.000 0.193 165 E C 2.301 178.892 176.600 -0.015 0.000 0.989 165 E CA 1.190 57.602 56.400 0.020 0.000 0.800 165 E CB -0.142 29.566 29.700 0.013 0.000 0.746 165 E HN 0.487 nan 8.360 nan 0.000 0.452 166 A N 1.302 124.092 122.820 -0.050 0.000 1.930 166 A HA -0.236 4.082 4.320 -0.004 0.000 0.217 166 A C 1.902 179.440 177.584 -0.077 0.000 1.175 166 A CA 1.819 53.806 52.037 -0.083 0.000 0.627 166 A CB -0.626 18.291 19.000 -0.138 0.000 0.815 166 A HN 0.215 nan 8.150 nan 0.000 0.443 167 N N -0.092 118.528 118.700 -0.133 0.000 2.106 167 N HA -0.075 4.662 4.740 -0.004 0.000 0.188 167 N C 1.554 177.122 175.510 0.097 0.000 1.029 167 N CA 1.595 54.617 53.050 -0.046 0.000 0.848 167 N CB -0.371 38.047 38.487 -0.114 0.000 1.007 167 N HN 0.414 nan 8.380 nan 0.000 0.423 168 L N 0.338 121.593 121.223 0.053 0.000 2.046 168 L HA -0.113 4.225 4.340 -0.004 0.000 0.208 168 L C 2.480 179.317 176.870 -0.056 0.000 1.077 168 L CA 1.340 56.193 54.840 0.021 0.000 0.747 168 L CB -0.494 41.584 42.059 0.032 0.000 0.896 168 L HN 0.379 nan 8.230 nan 0.000 0.432 169 E N -0.530 119.645 120.200 -0.041 0.000 2.077 169 E HA -0.283 4.065 4.350 -0.004 0.000 0.193 169 E C 2.048 178.597 176.600 -0.085 0.000 0.989 169 E CA 1.325 57.677 56.400 -0.080 0.000 0.800 169 E CB -0.206 29.464 29.700 -0.050 0.000 0.746 169 E HN 0.484 nan 8.360 nan 0.000 0.452 170 W N 1.024 122.217 121.300 -0.179 0.000 2.338 170 W HA -0.198 4.460 4.660 -0.004 0.000 0.304 170 W C 1.900 178.252 176.519 -0.278 0.000 1.212 170 W CA 1.693 58.914 57.345 -0.206 0.000 1.264 170 W CB -0.239 29.114 29.460 -0.178 0.000 1.142 170 W HN 0.047 nan 8.180 nan 0.000 0.512 171 M N 0.171 119.501 119.600 -0.450 0.000 2.117 171 M HA -0.261 4.217 4.480 -0.004 0.000 0.262 171 M C 2.277 178.183 176.300 -0.655 0.000 1.065 171 M CA 1.548 56.452 55.300 -0.661 0.000 1.114 171 M CB -0.765 31.711 32.600 -0.206 0.000 1.361 171 M HN 0.009 nan 8.290 nan 0.000 0.408 172 Q N -0.086 119.435 119.800 -0.463 0.000 2.096 172 Q HA -0.179 4.159 4.340 -0.004 0.000 0.204 172 Q C 2.001 177.732 176.000 -0.448 0.000 0.982 172 Q CA 1.547 57.087 55.803 -0.440 0.000 0.850 172 Q CB -0.594 27.922 28.738 -0.370 0.000 0.901 172 Q HN 0.528 nan 8.270 nan 0.000 0.422 173 R N 0.579 120.804 120.500 -0.459 0.000 2.075 173 R HA -0.122 4.216 4.340 -0.004 0.000 0.232 173 R C 1.927 177.879 176.300 -0.580 0.000 1.126 173 R CA 1.008 56.856 56.100 -0.421 0.000 0.963 173 R CB 0.178 30.289 30.300 -0.315 0.000 0.858 173 R HN 0.174 nan 8.270 nan 0.000 0.435 174 E N 0.428 120.054 120.200 -0.957 0.000 2.085 174 E HA -0.228 4.120 4.350 -0.004 0.000 0.194 174 E C 2.023 177.983 176.600 -1.067 0.000 0.994 174 E CA 1.484 57.092 56.400 -1.321 0.000 0.801 174 E CB -0.182 27.976 29.700 -2.569 0.000 0.743 174 E HN 0.463 nan 8.360 nan 0.000 0.453 175 M N 0.197 119.312 119.600 -0.808 0.000 2.117 175 M HA -0.171 4.307 4.480 -0.004 0.000 0.262 175 M C 2.242 178.367 176.300 -0.291 0.000 1.065 175 M CA 1.373 56.430 55.300 -0.406 0.000 1.114 175 M CB -0.227 32.208 32.600 -0.275 0.000 1.361 175 M HN 0.003 nan 8.290 nan 0.000 0.408 176 E N 0.460 120.473 120.200 -0.310 0.000 2.204 176 E HA -0.104 4.244 4.350 -0.004 0.000 0.194 176 E C 1.655 178.140 176.600 -0.192 0.000 0.989 176 E CA 0.780 57.050 56.400 -0.216 0.000 0.824 176 E CB 0.087 29.662 29.700 -0.209 0.000 0.756 176 E HN 0.485 nan 8.360 nan 0.000 0.477 177 L N 0.250 121.323 121.223 -0.250 0.000 2.567 177 L HA 0.139 4.477 4.340 -0.004 0.000 0.225 177 L C 0.329 177.104 176.870 -0.159 0.000 1.119 177 L CA 0.084 54.807 54.840 -0.194 0.000 0.871 177 L CB 0.249 42.180 42.059 -0.213 0.000 1.036 177 L HN -0.012 nan 8.230 nan 0.000 0.459 178 N N 0.075 118.667 118.700 -0.181 0.000 2.733 178 N HA 0.190 4.928 4.740 -0.004 0.000 0.271 178 N C -2.135 173.364 175.510 -0.018 0.000 1.720 178 N CA -0.715 52.287 53.050 -0.080 0.000 0.803 178 N CB 1.233 39.681 38.487 -0.065 0.000 1.208 178 N HN -0.049 nan 8.380 nan 0.000 0.498 179 P HA 0.048 nan 4.420 nan 0.000 0.229 179 P C 0.172 177.488 177.300 0.027 0.000 1.160 179 P CA 1.041 64.142 63.100 0.001 0.000 0.777 179 P CB 0.468 32.161 31.700 -0.011 0.000 0.814 180 D N -1.727 118.698 120.400 0.041 0.000 2.369 180 D HA 0.006 4.644 4.640 -0.004 0.000 0.211 180 D C 0.285 176.631 176.300 0.078 0.000 1.077 180 D CA 0.182 54.217 54.000 0.059 0.000 0.842 180 D CB -0.017 40.824 40.800 0.068 0.000 0.947 180 D HN 0.064 nan 8.370 nan 0.000 0.509 181 S N 0.453 116.216 115.700 0.105 0.000 2.489 181 S HA 0.246 4.714 4.470 -0.004 0.000 0.277 181 S C -1.773 172.891 174.600 0.106 0.000 1.230 181 S CA -1.262 57.029 58.200 0.152 0.000 1.053 181 S CB 2.029 65.396 63.200 0.279 0.000 0.955 181 S HN -0.237 nan 8.310 nan 0.000 0.488 182 P HA -0.143 nan 4.420 nan 0.000 0.214 182 P C 1.119 178.432 177.300 0.022 0.000 1.163 182 P CA 1.115 64.179 63.100 -0.059 0.000 0.883 182 P CB -0.174 31.496 31.700 -0.051 0.000 0.788 183 Y N -1.186 119.059 120.300 -0.092 0.000 2.114 183 Y HA -0.218 4.330 4.550 -0.004 0.000 0.282 183 Y C 1.994 177.696 175.900 -0.329 0.000 1.165 183 Y CA 1.676 59.629 58.100 -0.246 0.000 1.148 183 Y CB -0.953 37.304 38.460 -0.337 0.000 0.972 183 Y HN -0.076 nan 8.280 nan 0.000 0.504 184 W N -1.184 120.142 121.300 0.043 0.000 2.584 184 W HA -0.046 4.612 4.660 -0.003 0.000 0.264 184 W C 2.439 178.866 176.519 -0.153 0.000 1.264 184 W CA 1.169 58.448 57.345 -0.110 0.000 1.306 184 W CB -0.442 28.977 29.460 -0.070 0.000 1.110 184 W HN 0.262 nan 8.180 nan 0.000 0.606 185 H N 0.270 119.334 119.070 -0.012 0.000 2.389 185 H HA -0.150 4.404 4.556 -0.004 0.000 0.299 185 H C 2.147 177.368 175.328 -0.179 0.000 1.081 185 H CA 1.899 57.889 56.048 -0.097 0.000 1.345 185 H CB -0.010 29.665 29.762 -0.144 0.000 1.393 185 H HN -0.100 nan 8.280 nan 0.000 0.520 186 Q N 0.051 119.672 119.800 -0.300 0.000 2.119 186 Q HA -0.062 4.276 4.340 -0.004 0.000 0.201 186 Q C 2.638 178.386 176.000 -0.420 0.000 0.972 186 Q CA 1.171 56.741 55.803 -0.389 0.000 0.847 186 Q CB -0.336 28.191 28.738 -0.352 0.000 0.903 186 Q HN 0.440 nan 8.270 nan 0.000 0.433 187 V N 0.743 120.382 119.914 -0.458 0.000 2.358 187 V HA -0.208 3.910 4.120 -0.004 0.000 0.246 187 V C 2.479 178.456 176.094 -0.196 0.000 1.047 187 V CA 1.760 63.833 62.300 -0.378 0.000 1.035 187 V CB -0.536 31.057 31.823 -0.382 0.000 0.658 187 V HN 0.267 nan 8.190 nan 0.000 0.452 188 R N -0.100 120.312 120.500 -0.147 0.000 2.081 188 R HA -0.121 4.217 4.340 -0.004 0.000 0.235 188 R C 2.285 178.535 176.300 -0.083 0.000 1.131 188 R CA 1.512 57.589 56.100 -0.039 0.000 0.960 188 R CB -0.285 29.996 30.300 -0.031 0.000 0.856 188 R HN 0.444 nan 8.270 nan 0.000 0.436 189 L N -0.357 120.686 121.223 -0.299 0.000 2.042 189 L HA -0.198 4.140 4.340 -0.004 0.000 0.210 189 L C 2.357 179.139 176.870 -0.147 0.000 1.076 189 L CA 1.855 56.478 54.840 -0.361 0.000 0.749 189 L CB -0.812 40.823 42.059 -0.706 0.000 0.893 189 L HN 0.312 nan 8.230 nan 0.000 0.432 190 T N 0.418 114.907 114.554 -0.108 0.000 2.708 190 T HA -0.166 4.182 4.350 -0.004 0.000 0.266 190 T C 1.995 176.780 174.700 0.143 0.000 1.037 190 T CA 1.274 63.383 62.100 0.015 0.000 1.146 190 T CB -0.272 68.516 68.868 -0.134 0.000 0.865 190 T HN 0.198 nan 8.240 nan 0.000 0.435 191 L N 0.170 121.474 121.223 0.135 0.000 2.156 191 L HA 0.041 4.379 4.340 -0.004 0.000 0.208 191 L C 2.431 179.486 176.870 0.308 0.000 1.095 191 L CA 0.790 55.814 54.840 0.306 0.000 0.770 191 L CB -0.521 41.741 42.059 0.338 0.000 0.914 191 L HN 0.236 nan 8.230 nan 0.000 0.439 192 L N -0.600 120.711 121.223 0.147 0.000 2.083 192 L HA -0.236 4.102 4.340 -0.004 0.000 0.209 192 L C 2.701 179.645 176.870 0.123 0.000 1.083 192 L CA 1.200 56.025 54.840 -0.025 0.000 0.752 192 L CB -0.390 41.638 42.059 -0.052 0.000 0.899 192 L HN 0.356 nan 8.230 nan 0.000 0.433 193 Q N -0.038 119.838 119.800 0.127 0.000 2.079 193 Q HA -0.247 4.091 4.340 -0.004 0.000 0.200 193 Q C 2.261 178.348 176.000 0.145 0.000 0.974 193 Q CA 1.467 57.341 55.803 0.119 0.000 0.840 193 Q CB -0.041 28.787 28.738 0.151 0.000 0.898 193 Q HN 0.373 nan 8.270 nan 0.000 0.430 194 L N 1.038 122.405 121.223 0.239 0.000 2.083 194 L HA -0.159 4.179 4.340 -0.004 0.000 0.209 194 L C 2.142 179.145 176.870 0.223 0.000 1.083 194 L CA 1.742 56.743 54.840 0.268 0.000 0.752 194 L CB -0.444 41.841 42.059 0.376 0.000 0.899 194 L HN 0.025 nan 8.230 nan 0.000 0.433 195 K N 0.089 120.611 120.400 0.203 0.000 2.026 195 K HA -0.065 4.253 4.320 -0.004 0.000 0.208 195 K C 2.017 178.678 176.600 0.101 0.000 1.048 195 K CA 1.395 57.794 56.287 0.188 0.000 0.929 195 K CB -1.084 31.487 32.500 0.117 0.000 0.713 195 K HN 0.500 nan 8.250 nan 0.000 0.439 196 G N 1.532 110.255 108.800 -0.129 0.000 2.459 196 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.217 196 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.217 196 G C 1.660 176.446 174.900 -0.189 0.000 1.183 196 G CA 0.981 45.724 45.100 -0.595 0.000 0.776 196 G HN 0.324 nan 8.290 nan 0.000 0.552 197 L N 0.509 121.730 121.223 -0.004 0.000 1.997 197 L HA -0.136 4.201 4.340 -0.004 0.000 0.216 197 L C 2.711 179.759 176.870 0.297 0.000 1.074 197 L CA 2.889 57.809 54.840 0.132 0.000 0.763 197 L CB -0.532 41.624 42.059 0.162 0.000 0.890 197 L HN 0.462 nan 8.230 nan 0.000 0.434 198 E N -0.938 119.447 120.200 0.309 0.000 2.015 198 E HA -0.241 4.106 4.350 -0.004 0.000 0.191 198 E C 1.849 178.528 176.600 0.131 0.000 0.991 198 E CA 1.501 58.022 56.400 0.202 0.000 0.802 198 E CB -0.089 29.636 29.700 0.042 0.000 0.759 198 E HN 0.532 nan 8.360 nan 0.000 0.447 199 D N -0.208 120.253 120.400 0.100 0.000 2.149 199 D HA -0.151 4.487 4.640 -0.004 0.000 0.198 199 D C 1.967 178.315 176.300 0.081 0.000 0.990 199 D CA 1.028 55.084 54.000 0.095 0.000 0.839 199 D CB -0.385 40.511 40.800 0.160 0.000 0.948 199 D HN 0.061 nan 8.370 nan 0.000 0.460 200 S N -0.869 114.872 115.700 0.068 0.000 2.355 200 S HA -0.196 4.272 4.470 -0.004 0.000 0.222 200 S C 2.002 176.678 174.600 0.127 0.000 1.031 200 S CA 0.605 58.845 58.200 0.066 0.000 0.993 200 S CB -0.402 62.819 63.200 0.034 0.000 0.859 200 S HN 0.316 nan 8.310 nan 0.000 0.453 201 Y N 1.886 122.243 120.300 0.095 0.000 2.274 201 Y HA -0.023 4.525 4.550 -0.003 0.000 0.290 201 Y C 2.030 177.956 175.900 0.043 0.000 1.145 201 Y CA 2.006 60.180 58.100 0.124 0.000 1.203 201 Y CB -0.179 38.481 38.460 0.333 0.000 0.984 201 Y HN 0.398 nan 8.280 nan 0.000 0.533 202 E N -0.812 119.442 120.200 0.090 0.000 2.427 202 E HA 0.080 4.427 4.350 -0.004 0.000 0.196 202 E C 1.472 178.047 176.600 -0.042 0.000 1.028 202 E CA 0.538 56.929 56.400 -0.016 0.000 0.864 202 E CB -0.132 29.573 29.700 0.009 0.000 0.813 202 E HN 0.594 nan 8.360 nan 0.000 0.514 203 G N 1.918 110.705 108.800 -0.021 0.000 2.147 203 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.244 203 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.244 203 G C 0.005 174.906 174.900 0.001 0.000 1.005 203 G CA 0.146 45.233 45.100 -0.023 0.000 0.713 203 G HN 0.178 nan 8.290 nan 0.000 0.515 204 R N -0.588 119.927 120.500 0.024 0.000 2.576 204 R HA 0.464 4.802 4.340 -0.004 0.000 0.283 204 R C -0.451 175.897 176.300 0.079 0.000 1.493 204 R CA -0.926 55.197 56.100 0.039 0.000 1.170 204 R CB 0.998 31.315 30.300 0.028 0.000 1.189 204 R HN 0.092 nan 8.270 nan 0.000 0.542 205 L N 1.480 122.759 121.223 0.095 0.000 2.426 205 L HA 0.327 4.665 4.340 -0.004 0.000 0.271 205 L C 0.757 177.727 176.870 0.168 0.000 1.169 205 L CA 0.776 55.720 54.840 0.174 0.000 0.836 205 L CB 1.414 43.570 42.059 0.162 0.000 1.112 205 L HN 0.560 nan 8.230 nan 0.000 0.465 206 T N 3.652 118.343 114.554 0.228 0.000 3.505 206 T HA 0.176 4.524 4.350 -0.004 0.000 0.308 206 T C -0.973 173.651 174.700 -0.127 0.000 0.767 206 T CA -0.552 61.591 62.100 0.072 0.000 1.194 206 T CB -0.534 68.360 68.868 0.044 0.000 0.997 206 T HN 0.195 nan 8.240 nan 0.000 0.504 207 F N 7.984 127.703 119.950 -0.386 0.000 2.494 207 F HA 0.527 5.052 4.527 -0.004 0.000 0.369 207 F C -1.819 173.704 175.800 -0.462 0.000 1.098 207 F CA -2.028 55.514 58.000 -0.763 0.000 1.154 207 F CB 0.712 39.416 39.000 -0.493 0.000 1.103 207 F HN 0.324 nan 8.300 nan 0.000 0.549 208 P HA 0.160 nan 4.420 nan 0.000 0.282 208 P C 0.078 176.810 177.300 -0.946 0.000 1.262 208 P CA -0.196 62.461 63.100 -0.737 0.000 0.773 208 P CB 1.403 32.804 31.700 -0.499 0.000 0.879 209 T N 1.135 115.372 114.554 -0.528 0.000 3.009 209 T HA 0.121 4.468 4.350 -0.004 0.000 0.258 209 T C 1.224 175.805 174.700 -0.199 0.000 1.063 209 T CA 1.473 63.357 62.100 -0.359 0.000 1.139 209 T CB 0.041 68.814 68.868 -0.158 0.000 0.890 209 T HN 0.613 nan 8.240 nan 0.000 0.471 210 G N 0.379 109.098 108.800 -0.136 0.000 3.267 210 G HA2 0.420 4.378 3.960 -0.004 0.000 0.200 210 G HA3 0.420 4.378 3.960 -0.004 0.000 0.200 210 G C -0.326 174.579 174.900 0.008 0.000 1.603 210 G CA -0.635 44.429 45.100 -0.061 0.000 0.753 210 G HN 0.204 nan 8.290 nan 0.000 0.755 211 R N 0.048 120.529 120.500 -0.032 0.000 2.594 211 R HA 0.489 4.827 4.340 -0.004 0.000 0.272 211 R C -1.041 175.281 176.300 0.035 0.000 1.074 211 R CA -0.135 55.916 56.100 -0.081 0.000 1.105 211 R CB 0.226 30.449 30.300 -0.128 0.000 1.008 211 R HN 0.424 nan 8.270 nan 0.000 0.472 212 F N -1.369 118.517 119.950 -0.107 0.000 2.654 212 F HA 0.410 4.935 4.527 -0.004 0.000 0.308 212 F C -1.343 174.429 175.800 -0.046 0.000 1.108 212 F CA -1.023 56.926 58.000 -0.084 0.000 0.957 212 F CB 1.663 40.603 39.000 -0.100 0.000 1.309 212 F HN 0.200 nan 8.300 nan 0.000 0.446 213 T N 3.410 118.050 114.554 0.143 0.000 2.771 213 T HA 0.595 4.943 4.350 -0.004 0.000 0.281 213 T C -0.344 174.458 174.700 0.171 0.000 0.982 213 T CA -0.299 61.842 62.100 0.068 0.000 0.978 213 T CB 0.963 69.854 68.868 0.038 0.000 0.930 213 T HN 0.522 nan 8.240 nan 0.000 0.447 214 I N 3.047 123.701 120.570 0.141 0.000 2.336 214 I HA 0.314 4.482 4.170 -0.004 0.000 0.292 214 I C 0.592 176.781 176.117 0.119 0.000 0.991 214 I CA -0.746 60.662 61.300 0.179 0.000 1.227 214 I CB 1.290 39.431 38.000 0.234 0.000 1.366 214 I HN 0.335 nan 8.210 nan 0.000 0.466 215 K N 7.884 128.344 120.400 0.100 0.000 2.412 215 K HA 0.135 4.452 4.320 -0.004 0.000 0.284 215 K C -1.636 175.022 176.600 0.098 0.000 1.046 215 K CA -1.261 55.069 56.287 0.072 0.000 0.999 215 K CB 0.992 33.511 32.500 0.032 0.000 0.941 215 K HN 0.247 nan 8.250 nan 0.000 0.474 216 P HA -0.176 nan 4.420 nan 0.000 0.216 216 P C 0.207 177.593 177.300 0.143 0.000 1.153 216 P CA 1.107 64.278 63.100 0.119 0.000 0.858 216 P CB 0.243 31.999 31.700 0.093 0.000 0.789 217 L N -1.968 119.340 121.223 0.141 0.000 3.017 217 L HA 0.370 4.708 4.340 -0.004 0.000 0.255 217 L C 1.333 178.363 176.870 0.267 0.000 1.247 217 L CA -0.087 54.871 54.840 0.198 0.000 1.038 217 L CB -0.429 41.736 42.059 0.177 0.000 1.380 217 L HN -0.098 nan 8.230 nan 0.000 0.548 218 G N -1.430 107.475 108.800 0.175 0.000 3.086 218 G HA2 0.033 3.991 3.960 -0.004 0.000 0.159 218 G HA3 0.033 3.991 3.960 -0.004 0.000 0.159 218 G C 0.488 175.530 174.900 0.237 0.000 1.654 218 G CA -0.226 44.898 45.100 0.040 0.000 1.078 218 G HN 0.022 nan 8.290 nan 0.000 0.558 219 F N 0.376 120.370 119.950 0.074 0.000 2.805 219 F HA 0.168 4.693 4.527 -0.003 0.000 0.301 219 F C 2.068 177.919 175.800 0.084 0.000 1.196 219 F CA -0.749 57.309 58.000 0.097 0.000 1.439 219 F CB -0.495 38.500 39.000 -0.008 0.000 1.117 219 F HN 0.064 nan 8.300 nan 0.000 0.581 220 L N 0.754 122.133 121.223 0.260 0.000 2.072 220 L HA -0.061 4.277 4.340 -0.004 0.000 0.205 220 L C 2.071 178.976 176.870 0.059 0.000 1.079 220 L CA 1.602 56.523 54.840 0.134 0.000 0.752 220 L CB -0.675 41.493 42.059 0.181 0.000 0.906 220 L HN 0.278 nan 8.230 nan 0.000 0.436 221 L N -3.356 117.944 121.223 0.129 0.000 2.610 221 L HA 0.060 4.397 4.340 -0.004 0.000 0.232 221 L C 1.665 178.507 176.870 -0.048 0.000 1.149 221 L CA 0.611 55.457 54.840 0.009 0.000 0.872 221 L CB -0.464 41.582 42.059 -0.021 0.000 0.992 221 L HN 0.194 nan 8.230 nan 0.000 0.447 222 L N -0.338 120.920 121.223 0.058 0.000 2.270 222 L HA 0.012 4.350 4.340 -0.004 0.000 0.210 222 L C 2.495 179.344 176.870 -0.035 0.000 1.104 222 L CA 0.404 55.258 54.840 0.024 0.000 0.804 222 L CB -0.187 41.946 42.059 0.124 0.000 0.937 222 L HN 0.407 nan 8.230 nan 0.000 0.450 223 Q N 0.147 119.851 119.800 -0.161 0.000 2.259 223 Q HA 0.029 4.366 4.340 -0.004 0.000 0.201 223 Q C 1.995 177.787 176.000 -0.347 0.000 0.938 223 Q CA 0.954 56.528 55.803 -0.382 0.000 0.872 223 Q CB 0.099 27.952 28.738 -1.475 0.000 0.971 223 Q HN 0.656 nan 8.270 nan 0.000 0.494 224 I N -1.710 118.716 120.570 -0.240 0.000 3.735 224 I HA 0.212 4.380 4.170 -0.004 0.000 0.310 224 I C 1.961 178.029 176.117 -0.081 0.000 1.270 224 I CA 0.161 61.431 61.300 -0.051 0.000 1.207 224 I CB 0.068 38.108 38.000 0.068 0.000 1.013 224 I HN -0.132 nan 8.210 nan 0.000 0.452 225 S N 2.370 117.994 115.700 -0.128 0.000 2.372 225 S HA -0.195 4.273 4.470 -0.004 0.000 0.227 225 S C 2.024 176.491 174.600 -0.221 0.000 1.044 225 S CA 2.262 60.344 58.200 -0.196 0.000 1.050 225 S CB -0.793 62.287 63.200 -0.201 0.000 0.901 225 S HN 0.717 nan 8.310 nan 0.000 0.447 226 G N 0.499 109.095 108.800 -0.341 0.000 2.403 226 G HA2 -0.108 3.850 3.960 -0.004 0.000 0.216 226 G HA3 -0.108 3.850 3.960 -0.004 0.000 0.216 226 G C 1.236 175.898 174.900 -0.397 0.000 1.154 226 G CA 0.805 45.425 45.100 -0.801 0.000 0.784 226 G HN 0.532 nan 8.290 nan 0.000 0.538 227 D N 0.498 120.820 120.400 -0.130 0.000 2.218 227 D HA -0.044 4.594 4.640 -0.004 0.000 0.204 227 D C 2.479 178.826 176.300 0.077 0.000 0.976 227 D CA 0.430 54.506 54.000 0.126 0.000 0.853 227 D CB 0.109 41.038 40.800 0.214 0.000 0.939 227 D HN 0.281 nan 8.370 nan 0.000 0.481 228 L N 0.831 122.053 121.223 -0.002 0.000 2.275 228 L HA -0.105 4.233 4.340 -0.004 0.000 0.215 228 L C 2.144 179.014 176.870 -0.001 0.000 1.119 228 L CA 0.764 55.598 54.840 -0.009 0.000 0.790 228 L CB -0.211 41.790 42.059 -0.097 0.000 0.919 228 L HN -0.059 nan 8.230 nan 0.000 0.443 229 E N -0.145 120.068 120.200 0.023 0.000 2.333 229 E HA -0.187 4.160 4.350 -0.004 0.000 0.198 229 E C 1.026 177.652 176.600 0.043 0.000 1.007 229 E CA 0.878 57.309 56.400 0.052 0.000 0.845 229 E CB 0.095 29.872 29.700 0.129 0.000 0.766 229 E HN 0.541 nan 8.360 nan 0.000 0.507 230 D N -0.359 120.066 120.400 0.041 0.000 2.423 230 D HA 0.063 4.701 4.640 -0.004 0.000 0.212 230 D C 1.899 178.006 176.300 -0.321 0.000 1.060 230 D CA 0.099 54.065 54.000 -0.057 0.000 0.872 230 D CB 0.430 41.366 40.800 0.227 0.000 1.012 230 D HN 0.141 nan 8.370 nan 0.000 0.503 231 L N 1.158 122.275 121.223 -0.176 0.000 2.109 231 L HA -0.077 4.261 4.340 -0.004 0.000 0.207 231 L C 2.283 179.046 176.870 -0.179 0.000 1.086 231 L CA 1.011 55.713 54.840 -0.231 0.000 0.760 231 L CB -0.133 41.831 42.059 -0.157 0.000 0.910 231 L HN -0.076 nan 8.230 nan 0.000 0.437 232 E N 0.169 120.299 120.200 -0.117 0.000 2.031 232 E HA -0.207 4.141 4.350 -0.004 0.000 0.193 232 E C -0.626 175.794 176.600 -0.301 0.000 0.994 232 E CA 1.339 57.630 56.400 -0.181 0.000 0.800 232 E CB -0.977 28.557 29.700 -0.278 0.000 0.752 232 E HN 0.428 nan 8.360 nan 0.000 0.447 233 P HA -0.107 nan 4.420 nan 0.000 0.218 233 P C 0.931 177.718 177.300 -0.854 0.000 1.149 233 P CA 1.527 64.306 63.100 -0.535 0.000 0.817 233 P CB 0.041 31.426 31.700 -0.525 0.000 0.785 234 A N -0.927 121.234 122.820 -1.099 0.000 1.969 234 A HA -0.081 4.237 4.320 -0.004 0.000 0.218 234 A C 1.602 179.014 177.584 -0.287 0.000 1.169 234 A CA 1.346 52.915 52.037 -0.781 0.000 0.635 234 A CB -1.256 17.422 19.000 -0.536 0.000 0.810 234 A HN 0.115 nan 8.150 nan 0.000 0.445 235 L N 0.164 121.266 121.223 -0.200 0.000 2.791 235 L HA 0.241 4.579 4.340 -0.004 0.000 0.239 235 L C -0.075 176.817 176.870 0.036 0.000 1.203 235 L CA -0.068 54.753 54.840 -0.031 0.000 1.002 235 L CB -0.617 41.457 42.059 0.025 0.000 1.295 235 L HN 0.343 nan 8.230 nan 0.000 0.504 236 N N 0.436 119.105 118.700 -0.052 0.000 2.727 236 N HA -0.261 4.477 4.740 -0.004 0.000 0.249 236 N C 0.442 175.928 175.510 -0.041 0.000 1.048 236 N CA 0.751 53.781 53.050 -0.035 0.000 0.714 236 N CB -0.719 37.770 38.487 0.003 0.000 0.959 236 N HN 0.475 nan 8.380 nan 0.000 0.544 237 K N 0.966 121.290 120.400 -0.128 0.000 2.322 237 K HA 0.160 4.478 4.320 -0.004 0.000 0.283 237 K C -0.285 176.211 176.600 -0.172 0.000 1.042 237 K CA 0.055 56.183 56.287 -0.266 0.000 0.958 237 K CB 0.497 32.558 32.500 -0.732 0.000 0.984 237 K HN 0.039 nan 8.250 nan 0.000 0.473 238 T N 4.437 118.926 114.554 -0.108 0.000 2.727 238 T HA 0.343 4.690 4.350 -0.004 0.000 0.298 238 T C -0.510 174.157 174.700 -0.056 0.000 0.942 238 T CA -0.824 61.245 62.100 -0.052 0.000 0.997 238 T CB 0.063 68.932 68.868 0.001 0.000 0.917 238 T HN 0.741 nan 8.240 nan 0.000 0.487 246 S N -3.966 111.749 115.700 0.025 0.000 6.541 246 S HA 0.374 4.842 4.470 -0.004 0.000 0.087 246 S C 1.749 176.546 174.600 0.328 0.000 1.262 246 S CA 1.964 60.150 58.200 -0.023 0.000 1.323 246 S CB -0.830 62.389 63.200 0.032 0.000 1.739 246 S HN 2.766 nan 8.310 nan 0.000 0.531 247 G N 1.305 110.280 108.800 0.293 0.000 2.900 247 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.223 247 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.223 247 G C 0.774 175.680 174.900 0.010 0.000 1.293 247 G CA 0.941 46.160 45.100 0.198 0.000 0.792 247 G HN 1.899 nan 8.290 nan 0.000 0.527 248 S N -0.423 115.425 115.700 0.246 0.000 3.341 248 S HA 0.008 4.476 4.470 -0.004 0.000 0.414 248 S C 0.678 175.209 174.600 -0.115 0.000 0.869 248 S CA 1.399 59.710 58.200 0.184 0.000 1.349 248 S CB -1.800 61.533 63.200 0.221 0.000 0.938 248 S HN 2.377 nan 8.310 nan 0.000 0.615 249 C N 0.077 119.133 119.300 -0.406 0.000 0.168 249 C HA 0.217 4.675 4.460 -0.004 0.000 0.017 249 C C 0.188 174.707 174.990 -0.785 0.000 0.171 249 C CA -0.382 58.314 59.018 -0.537 0.000 0.499 249 C CB -1.375 26.245 27.740 -0.200 0.000 3.212 249 C HN 2.079 nan 8.230 nan 0.000 1.118 250 S N 0.861 116.225 115.700 -0.560 0.000 2.541 250 S HA 0.956 5.424 4.470 -0.004 0.000 0.271 250 S C -0.801 173.679 174.600 -0.200 0.000 1.133 250 S CA 0.168 58.209 58.200 -0.266 0.000 0.876 250 S CB 2.212 65.397 63.200 -0.025 0.000 1.105 250 S HN 2.662 nan 8.310 nan 0.000 0.470 251 A N 2.362 125.129 122.820 -0.089 0.000 2.539 251 A HA 0.881 5.199 4.320 -0.004 0.000 0.296 251 A C -1.569 175.978 177.584 -0.063 0.000 1.073 251 A CA -0.793 51.219 52.037 -0.042 0.000 0.700 251 A CB 1.687 20.689 19.000 0.003 0.000 1.296 251 A HN 1.163 nan 8.150 nan 0.000 0.405 252 L N 2.122 123.359 121.223 0.023 0.000 2.470 252 L HA 0.593 4.931 4.340 -0.004 0.000 0.268 252 L C -1.780 175.135 176.870 0.074 0.000 0.964 252 L CA -0.571 54.269 54.840 -0.001 0.000 0.839 252 L CB 1.600 43.716 42.059 0.095 0.000 1.276 252 L HN 0.733 nan 8.230 nan 0.000 0.403 253 I N 4.704 125.327 120.570 0.087 0.000 2.354 253 I HA 0.303 4.471 4.170 -0.004 0.000 0.286 253 I C -0.468 175.703 176.117 0.091 0.000 1.007 253 I CA -0.448 60.893 61.300 0.069 0.000 1.167 253 I CB 1.528 39.540 38.000 0.020 0.000 1.320 253 I HN 0.343 nan 8.210 nan 0.000 0.458 254 K N 6.634 127.072 120.400 0.064 0.000 2.274 254 K HA 0.501 4.819 4.320 -0.004 0.000 0.262 254 K C -1.330 175.273 176.600 0.005 0.000 0.961 254 K CA -0.590 55.737 56.287 0.067 0.000 0.833 254 K CB 1.283 33.821 32.500 0.063 0.000 1.102 254 K HN 0.430 nan 8.250 nan 0.000 0.436 255 L N 6.160 127.373 121.223 -0.016 0.000 2.281 255 L HA 0.397 4.735 4.340 -0.004 0.000 0.285 255 L C -0.974 175.889 176.870 -0.013 0.000 1.074 255 L CA -0.104 54.696 54.840 -0.067 0.000 0.817 255 L CB 0.275 42.219 42.059 -0.192 0.000 1.168 255 L HN 0.686 nan 8.230 nan 0.000 0.434 256 L N 7.046 128.282 121.223 0.022 0.000 2.436 256 L HA 0.370 4.707 4.340 -0.004 0.000 0.265 256 L C -1.723 175.149 176.870 0.004 0.000 1.168 256 L CA -1.967 52.901 54.840 0.047 0.000 0.815 256 L CB 0.198 42.322 42.059 0.109 0.000 1.109 256 L HN 0.534 nan 8.230 nan 0.000 0.462 257 P HA -0.065 nan 4.420 nan 0.000 0.264 257 P C 0.677 177.789 177.300 -0.313 0.000 1.179 257 P CA 0.628 63.686 63.100 -0.069 0.000 0.763 257 P CB 0.446 32.150 31.700 0.007 0.000 0.806 258 G N 2.591 111.215 108.800 -0.293 0.000 2.187 258 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.261 258 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.261 258 G C 0.856 175.528 174.900 -0.380 0.000 1.000 258 G CA 0.693 45.540 45.100 -0.421 0.000 0.718 258 G HN 1.051 nan 8.290 nan 0.000 0.519 259 G N -1.336 107.350 108.800 -0.190 0.000 2.321 259 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.287 259 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.287 259 G C 0.762 175.704 174.900 0.070 0.000 1.018 259 G CA 1.485 46.575 45.100 -0.015 0.000 0.855 259 G HN 1.026 nan 8.290 nan 0.000 0.507 260 H N -0.881 118.255 119.070 0.110 0.000 2.421 260 H HA 0.183 4.737 4.556 -0.003 0.000 0.298 260 H C 1.198 176.631 175.328 0.176 0.000 1.087 260 H CA 1.417 57.525 56.048 0.101 0.000 1.330 260 H CB 0.329 30.134 29.762 0.072 0.000 1.388 260 H HN 0.517 nan 8.280 nan 0.000 0.526 261 D N -1.307 119.305 120.400 0.354 0.000 2.694 261 D HA 0.160 4.798 4.640 -0.004 0.000 0.260 261 D C -1.990 174.354 176.300 0.074 0.000 1.250 261 D CA -0.785 53.389 54.000 0.290 0.000 0.763 261 D CB 1.331 42.245 40.800 0.191 0.000 1.311 261 D HN -0.062 nan 8.370 nan 0.000 0.420 262 L N 2.197 123.259 121.223 -0.269 0.000 2.342 262 L HA 0.564 4.902 4.340 -0.004 0.000 0.276 262 L C -1.452 175.399 176.870 -0.032 0.000 0.997 262 L CA -0.377 54.261 54.840 -0.336 0.000 0.838 262 L CB 0.974 42.485 42.059 -0.913 0.000 1.224 262 L HN 0.402 nan 8.230 nan 0.000 0.416 263 L N 5.668 126.899 121.223 0.013 0.000 2.307 263 L HA 0.672 5.010 4.340 -0.004 0.000 0.282 263 L C -0.429 176.494 176.870 0.088 0.000 1.051 263 L CA -0.931 53.960 54.840 0.085 0.000 0.804 263 L CB 1.759 43.864 42.059 0.075 0.000 1.197 263 L HN 0.460 nan 8.230 nan 0.000 0.431 264 V N 2.812 122.818 119.914 0.153 0.000 2.531 264 V HA 0.917 5.035 4.120 -0.004 0.000 0.301 264 V C -0.627 175.625 176.094 0.264 0.000 1.034 264 V CA -0.059 62.340 62.300 0.165 0.000 0.865 264 V CB 1.583 33.469 31.823 0.105 0.000 0.995 264 V HN 0.906 nan 8.190 nan 0.000 0.424 265 A N 4.751 127.700 122.820 0.214 0.000 2.515 265 A HA 0.908 5.226 4.320 -0.004 0.000 0.296 265 A C -1.436 176.248 177.584 0.167 0.000 1.094 265 A CA -0.604 51.519 52.037 0.143 0.000 0.718 265 A CB 1.841 20.889 19.000 0.080 0.000 1.307 265 A HN 1.431 nan 8.150 nan 0.000 0.408 266 H N 0.706 119.719 119.070 -0.095 0.000 2.894 266 H HA 0.597 5.150 4.556 -0.004 0.000 0.367 266 H C -1.082 174.221 175.328 -0.042 0.000 1.144 266 H CA -0.424 55.604 56.048 -0.034 0.000 1.180 266 H CB 1.452 31.235 29.762 0.034 0.000 1.758 266 H HN 0.713 nan 8.280 nan 0.000 0.541 267 N N 4.111 122.640 118.700 -0.285 0.000 2.504 267 N HA 0.164 4.902 4.740 -0.004 0.000 0.280 267 N C -1.201 174.285 175.510 -0.040 0.000 1.052 267 N CA -0.514 52.517 53.050 -0.031 0.000 0.887 267 N CB 1.512 40.056 38.487 0.096 0.000 1.323 267 N HN 0.550 nan 8.380 nan 0.000 0.509 268 T N 2.801 117.471 114.554 0.193 0.000 2.870 268 T HA 0.144 4.492 4.350 -0.004 0.000 0.300 268 T C -0.550 174.379 174.700 0.382 0.000 0.989 268 T CA 0.164 62.438 62.100 0.291 0.000 1.139 268 T CB 0.239 69.302 68.868 0.325 0.000 0.920 268 T HN 0.362 nan 8.240 nan 0.000 0.537 269 W N 3.550 124.845 121.300 -0.009 0.000 2.391 269 W HA 0.640 5.299 4.660 -0.003 0.000 0.311 269 W C 0.486 176.901 176.519 -0.172 0.000 1.087 269 W CA -0.767 56.508 57.345 -0.117 0.000 1.209 269 W CB 0.237 29.683 29.460 -0.023 0.000 1.273 269 W HN 0.525 nan 8.180 nan 0.000 0.482 270 N N 0.086 118.606 118.700 -0.299 0.000 2.927 270 N HA 0.303 5.041 4.740 -0.004 0.000 0.248 270 N C -1.196 173.979 175.510 -0.559 0.000 1.443 270 N CA -0.633 52.258 53.050 -0.265 0.000 0.870 270 N CB 1.543 40.041 38.487 0.018 0.000 1.444 270 N HN 0.066 nan 8.380 nan 0.000 0.519 271 S N 0.653 116.254 115.700 -0.164 0.000 2.562 271 S HA 0.145 4.613 4.470 -0.004 0.000 0.281 271 S C 0.987 175.498 174.600 -0.148 0.000 1.333 271 S CA -0.208 57.878 58.200 -0.189 0.000 1.052 271 S CB 0.034 63.206 63.200 -0.046 0.000 0.884 271 S HN 0.481 nan 8.310 nan 0.000 0.506 272 Y N 0.785 120.932 120.300 -0.255 0.000 2.574 272 Y HA -0.166 4.382 4.550 -0.004 0.000 0.294 272 Y C 2.373 178.355 175.900 0.137 0.000 1.142 272 Y CA 0.137 58.068 58.100 -0.282 0.000 1.314 272 Y CB -0.192 37.842 38.460 -0.710 0.000 0.991 272 Y HN 0.720 nan 8.280 nan 0.000 0.555 273 Q N -0.111 119.864 119.800 0.292 0.000 2.297 273 Q HA -0.121 4.217 4.340 -0.004 0.000 0.204 273 Q C 0.987 177.092 176.000 0.175 0.000 0.962 273 Q CA 0.968 56.917 55.803 0.244 0.000 0.879 273 Q CB -0.279 28.520 28.738 0.102 0.000 0.947 273 Q HN 0.459 nan 8.270 nan 0.000 0.462 274 N N 0.305 119.093 118.700 0.147 0.000 2.449 274 N HA 0.078 4.816 4.740 -0.004 0.000 0.191 274 N C 0.299 176.024 175.510 0.360 0.000 1.161 274 N CA 0.309 53.498 53.050 0.233 0.000 0.863 274 N CB 0.234 38.790 38.487 0.115 0.000 0.980 274 N HN 0.198 nan 8.380 nan 0.000 0.458 275 M N 0.730 120.470 119.600 0.233 0.000 3.131 275 M HA 0.122 4.600 4.480 -0.004 0.000 0.213 275 M C -0.627 175.814 176.300 0.236 0.000 1.307 275 M CA 0.268 55.631 55.300 0.105 0.000 1.263 275 M CB -0.263 32.192 32.600 -0.242 0.000 1.419 275 M HN 0.005 nan 8.290 nan 0.000 0.446 276 L N 1.633 123.003 121.223 0.245 0.000 2.265 276 L HA 0.449 4.786 4.340 -0.004 0.000 0.289 276 L C -0.074 176.763 176.870 -0.055 0.000 1.033 276 L CA -0.589 54.326 54.840 0.126 0.000 0.814 276 L CB 0.643 42.800 42.059 0.163 0.000 1.203 276 L HN 0.238 nan 8.230 nan 0.000 0.423 277 R N 5.093 125.501 120.500 -0.152 0.000 2.670 277 R HA 0.694 5.032 4.340 -0.004 0.000 0.289 277 R C -0.961 175.252 176.300 -0.145 0.000 0.965 277 R CA -0.696 55.256 56.100 -0.247 0.000 0.899 277 R CB 2.307 32.383 30.300 -0.374 0.000 1.173 277 R HN 0.519 nan 8.270 nan 0.000 0.456 278 I N 3.606 124.080 120.570 -0.160 0.000 2.500 278 I HA 0.373 4.541 4.170 -0.004 0.000 0.286 278 I C -0.075 175.911 176.117 -0.218 0.000 1.063 278 I CA -0.648 60.549 61.300 -0.173 0.000 1.062 278 I CB 2.036 39.932 38.000 -0.174 0.000 1.223 278 I HN 0.371 nan 8.210 nan 0.000 0.435 279 I N 6.685 127.116 120.570 -0.232 0.000 2.379 279 I HA 0.176 4.344 4.170 -0.004 0.000 0.290 279 I C 0.111 176.082 176.117 -0.243 0.000 1.063 279 I CA 0.025 61.152 61.300 -0.289 0.000 1.351 279 I CB 0.310 38.147 38.000 -0.272 0.000 1.410 279 I HN 0.440 nan 8.210 nan 0.000 0.505 280 K N 6.539 126.604 120.400 -0.558 0.000 2.182 280 K HA 0.463 4.781 4.320 -0.004 0.000 0.262 280 K C -0.484 175.832 176.600 -0.473 0.000 0.957 280 K CA -0.935 54.994 56.287 -0.597 0.000 0.842 280 K CB 2.014 33.865 32.500 -1.081 0.000 1.099 280 K HN 0.357 nan 8.250 nan 0.000 0.438 281 K N 3.787 124.138 120.400 -0.082 0.000 2.521 281 K HA 0.217 4.535 4.320 -0.004 0.000 0.248 281 K C -1.406 175.322 176.600 0.213 0.000 0.978 281 K CA -0.439 55.875 56.287 0.046 0.000 0.947 281 K CB 0.622 33.155 32.500 0.055 0.000 1.165 281 K HN 0.585 nan 8.250 nan 0.000 0.445 282 Y N 3.119 123.543 120.300 0.207 0.000 2.350 282 Y HA 0.286 4.834 4.550 -0.004 0.000 0.340 282 Y C 0.482 176.398 175.900 0.027 0.000 1.006 282 Y CA -1.103 57.070 58.100 0.122 0.000 1.166 282 Y CB 1.169 39.735 38.460 0.178 0.000 1.168 282 Y HN 0.237 nan 8.280 nan 0.000 0.502 283 R N 5.333 125.898 120.500 0.108 0.000 2.332 283 R HA 0.395 4.733 4.340 -0.004 0.000 0.306 283 R C -1.018 175.210 176.300 -0.121 0.000 1.117 283 R CA -0.325 55.775 56.100 -0.001 0.000 1.108 283 R CB 0.625 30.927 30.300 0.003 0.000 1.126 283 R HN 0.617 nan 8.270 nan 0.000 0.548 284 L N 1.184 122.292 121.223 -0.191 0.000 2.376 284 L HA 0.409 4.747 4.340 -0.004 0.000 0.267 284 L C 0.752 177.443 176.870 -0.299 0.000 1.035 284 L CA -0.912 53.676 54.840 -0.420 0.000 0.800 284 L CB 0.981 42.512 42.059 -0.880 0.000 1.290 284 L HN 0.300 nan 8.230 nan 0.000 0.462 285 Q N 0.955 120.573 119.800 -0.303 0.000 2.366 285 Q HA 0.386 4.724 4.340 -0.004 0.000 0.356 285 Q C -1.001 175.110 176.000 0.184 0.000 0.866 285 Q CA -0.020 55.767 55.803 -0.027 0.000 1.109 285 Q CB 0.770 29.540 28.738 0.052 0.000 1.361 285 Q HN 0.447 nan 8.270 nan 0.000 0.404 286 F N 0.692 120.678 119.950 0.060 0.000 2.382 286 F HA 0.439 4.963 4.527 -0.004 0.000 0.331 286 F C 1.189 177.041 175.800 0.087 0.000 1.121 286 F CA -0.739 57.307 58.000 0.077 0.000 1.183 286 F CB 1.129 40.161 39.000 0.054 0.000 1.207 286 F HN -0.160 nan 8.300 nan 0.000 0.555 287 R N 0.886 121.571 120.500 0.309 0.000 2.828 287 R HA 0.205 4.543 4.340 -0.004 0.000 0.264 287 R C 0.653 177.015 176.300 0.103 0.000 1.022 287 R CA -0.793 55.415 56.100 0.179 0.000 1.021 287 R CB 1.519 31.899 30.300 0.133 0.000 1.163 287 R HN 0.688 nan 8.270 nan 0.000 0.494 288 E N 0.239 120.468 120.200 0.048 0.000 2.153 288 E HA -0.065 4.283 4.350 -0.004 0.000 0.194 288 E C 0.828 177.175 176.600 -0.422 0.000 0.988 288 E CA 1.011 57.384 56.400 -0.046 0.000 0.811 288 E CB 0.176 29.951 29.700 0.124 0.000 0.746 288 E HN 0.642 nan 8.360 nan 0.000 0.466 289 G N -0.388 107.751 108.800 -1.102 0.000 3.015 289 G HA2 0.275 4.233 3.960 -0.004 0.000 0.281 289 G HA3 0.275 4.233 3.960 -0.004 0.000 0.281 289 G C -2.436 171.670 174.900 -1.324 0.000 1.386 289 G CA -1.075 43.066 45.100 -1.597 0.000 0.959 289 G HN -0.241 nan 8.290 nan 0.000 0.522 290 P HA 0.041 nan 4.420 nan 0.000 0.218 290 P C 0.499 177.684 177.300 -0.192 0.000 1.152 290 P CA 0.626 63.389 63.100 -0.561 0.000 0.826 290 P CB 0.234 31.810 31.700 -0.208 0.000 0.790 291 Q N -0.303 119.500 119.800 0.005 0.000 2.454 291 Q HA 0.062 4.399 4.340 -0.004 0.000 0.247 291 Q C 1.003 177.112 176.000 0.180 0.000 1.028 291 Q CA 0.549 56.440 55.803 0.147 0.000 0.910 291 Q CB 0.103 28.976 28.738 0.225 0.000 1.276 291 Q HN -0.066 nan 8.270 nan 0.000 0.489 292 E N 0.521 120.791 120.200 0.115 0.000 2.479 292 E HA -0.014 4.334 4.350 -0.004 0.000 0.193 292 E C 0.203 176.861 176.600 0.097 0.000 1.049 292 E CA 0.237 56.699 56.400 0.102 0.000 0.870 292 E CB 0.311 30.052 29.700 0.068 0.000 0.944 292 E HN 0.590 nan 8.360 nan 0.000 0.492 293 E N -0.817 119.426 120.200 0.073 0.000 2.427 293 E HA -0.079 4.269 4.350 -0.004 0.000 0.196 293 E C -0.352 176.230 176.600 -0.029 0.000 1.028 293 E CA 0.060 56.457 56.400 -0.004 0.000 0.864 293 E CB 0.081 29.738 29.700 -0.071 0.000 0.813 293 E HN 0.293 nan 8.360 nan 0.000 0.514 294 Y N 2.057 122.352 120.300 -0.008 0.000 2.497 294 Y HA 0.024 4.571 4.550 -0.004 0.000 0.334 294 Y C -1.672 174.237 175.900 0.016 0.000 1.199 294 Y CA -2.116 55.982 58.100 -0.003 0.000 1.425 294 Y CB 0.190 38.635 38.460 -0.025 0.000 1.291 294 Y HN 0.026 nan 8.280 nan 0.000 0.562 295 P HA 0.078 nan 4.420 nan 0.000 0.274 295 P C -0.810 176.579 177.300 0.148 0.000 1.237 295 P CA -0.298 62.878 63.100 0.126 0.000 0.793 295 P CB 0.870 32.626 31.700 0.093 0.000 0.977 296 L N 1.193 122.487 121.223 0.118 0.000 2.485 296 L HA 0.059 4.397 4.340 -0.004 0.000 0.275 296 L C 1.043 177.980 176.870 0.113 0.000 1.207 296 L CA -0.524 54.388 54.840 0.120 0.000 0.855 296 L CB -0.029 42.088 42.059 0.096 0.000 1.114 296 L HN 0.228 nan 8.230 nan 0.000 0.485 297 V N 1.009 120.999 119.914 0.126 0.000 2.901 297 V HA 0.041 4.159 4.120 -0.004 0.000 0.307 297 V C 1.287 177.429 176.094 0.080 0.000 1.084 297 V CA 0.314 62.678 62.300 0.108 0.000 1.184 297 V CB 0.429 32.328 31.823 0.127 0.000 0.941 297 V HN 0.965 nan 8.190 nan 0.000 0.493 298 A N 3.235 126.097 122.820 0.070 0.000 2.015 298 A HA 0.192 4.510 4.320 -0.004 0.000 0.219 298 A C 1.840 179.457 177.584 0.054 0.000 1.163 298 A CA 1.303 53.376 52.037 0.060 0.000 0.646 298 A CB -0.809 18.226 19.000 0.059 0.000 0.806 298 A HN 1.591 nan 8.150 nan 0.000 0.448 299 G N -0.695 108.139 108.800 0.056 0.000 3.782 299 G HA2 0.179 4.137 3.960 -0.004 0.000 0.288 299 G HA3 0.179 4.137 3.960 -0.004 0.000 0.288 299 G C 0.518 175.443 174.900 0.041 0.000 1.300 299 G CA -0.189 44.941 45.100 0.051 0.000 1.261 299 G HN 0.305 nan 8.290 nan 0.000 0.591 300 N N 0.815 119.531 118.700 0.026 0.000 2.270 300 N HA -0.042 4.696 4.740 -0.004 0.000 0.181 300 N C 0.051 175.554 175.510 -0.011 0.000 1.016 300 N CA 0.543 53.580 53.050 -0.022 0.000 0.870 300 N CB 0.142 38.615 38.487 -0.023 0.000 0.979 300 N HN 0.356 nan 8.380 nan 0.000 0.431 301 N N 0.956 119.673 118.700 0.028 0.000 2.408 301 N HA 0.392 5.130 4.740 -0.004 0.000 0.280 301 N C -1.055 174.507 175.510 0.087 0.000 1.002 301 N CA -0.535 52.547 53.050 0.053 0.000 0.907 301 N CB 1.539 40.047 38.487 0.036 0.000 1.161 301 N HN -0.051 nan 8.380 nan 0.000 0.488 302 L N -0.547 120.761 121.223 0.141 0.000 2.565 302 L HA 0.660 4.998 4.340 -0.004 0.000 0.261 302 L C -1.305 175.727 176.870 0.269 0.000 0.932 302 L CA -1.054 53.902 54.840 0.193 0.000 0.878 302 L CB 0.236 42.414 42.059 0.199 0.000 1.333 302 L HN 0.183 nan 8.230 nan 0.000 0.409 303 V N 3.700 123.753 119.914 0.233 0.000 2.513 303 V HA 0.832 4.950 4.120 -0.004 0.000 0.299 303 V C -0.253 176.022 176.094 0.301 0.000 1.035 303 V CA -0.344 62.064 62.300 0.181 0.000 0.889 303 V CB 1.421 33.279 31.823 0.057 0.000 0.988 303 V HN 0.851 nan 8.190 nan 0.000 0.440 304 F N 1.042 120.961 119.950 -0.053 0.000 2.703 304 F HA 0.713 5.238 4.527 -0.004 0.000 0.308 304 F C -0.243 175.476 175.800 -0.135 0.000 1.126 304 F CA -0.998 56.933 58.000 -0.115 0.000 0.959 304 F CB 1.372 40.228 39.000 -0.240 0.000 1.297 304 F HN 0.413 nan 8.300 nan 0.000 0.441 305 S N 1.628 117.296 115.700 -0.053 0.000 2.499 305 S HA 0.679 5.147 4.470 -0.004 0.000 0.275 305 S C -0.417 174.090 174.600 -0.155 0.000 1.257 305 S CA -0.020 58.087 58.200 -0.155 0.000 1.050 305 S CB 1.261 64.423 63.200 -0.063 0.000 0.937 305 S HN 1.052 nan 8.310 nan 0.000 0.490 306 S N 1.848 117.372 115.700 -0.294 0.000 2.880 306 S HA 0.797 5.265 4.470 -0.004 0.000 0.308 306 S C -1.978 172.314 174.600 -0.513 0.000 1.195 306 S CA -0.713 57.339 58.200 -0.247 0.000 0.866 306 S CB 0.559 63.687 63.200 -0.121 0.000 1.254 306 S HN 0.724 nan 8.310 nan 0.000 0.571 307 Y N 0.154 120.362 120.300 -0.153 0.000 2.605 307 Y HA 0.547 5.095 4.550 -0.004 0.000 0.343 307 Y C -2.527 173.190 175.900 -0.306 0.000 1.036 307 Y CA -2.284 55.629 58.100 -0.311 0.000 1.065 307 Y CB 0.920 39.146 38.460 -0.390 0.000 1.288 307 Y HN 0.402 nan 8.280 nan 0.000 0.481 308 P HA 0.171 nan 4.420 nan 0.000 0.267 308 P C 0.689 177.945 177.300 -0.074 0.000 1.209 308 P CA 1.635 64.652 63.100 -0.139 0.000 0.763 308 P CB 0.674 32.319 31.700 -0.093 0.000 0.816 309 G N 2.827 111.576 108.800 -0.085 0.000 2.812 309 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.219 309 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.219 309 G C 0.203 175.085 174.900 -0.029 0.000 1.275 309 G CA 0.145 45.133 45.100 -0.188 0.000 0.769 309 G HN 0.563 nan 8.290 nan 0.000 0.527 310 T N 2.809 117.395 114.554 0.052 0.000 2.708 310 T HA 0.330 4.678 4.350 -0.004 0.000 0.271 310 T C 1.765 176.633 174.700 0.280 0.000 0.985 310 T CA 0.820 63.000 62.100 0.134 0.000 1.229 310 T CB -0.002 68.911 68.868 0.075 0.000 0.934 310 T HN 1.019 nan 8.240 nan 0.000 0.522 311 I N 0.323 121.128 120.570 0.392 0.000 3.680 311 I HA 0.317 4.485 4.170 -0.004 0.000 0.306 311 I C 0.137 176.726 176.117 0.786 0.000 1.260 311 I CA -0.353 61.293 61.300 0.577 0.000 1.201 311 I CB -0.604 37.684 38.000 0.480 0.000 1.009 311 I HN 0.436 nan 8.210 nan 0.000 0.467 312 F N -2.061 118.181 119.950 0.487 0.000 2.726 312 F HA 0.645 5.170 4.527 -0.004 0.000 0.324 312 F C 1.036 177.153 175.800 0.529 0.000 1.140 312 F CA -1.192 57.077 58.000 0.447 0.000 0.964 312 F CB 0.758 40.082 39.000 0.540 0.000 1.399 312 F HN -0.282 nan 8.300 nan 0.000 0.491 313 S N -0.004 115.771 115.700 0.124 0.000 2.363 313 S HA 0.265 4.733 4.470 -0.004 0.000 0.218 313 S C 1.619 176.095 174.600 -0.207 0.000 1.035 313 S CA 2.852 61.047 58.200 -0.010 0.000 1.043 313 S CB -1.117 61.823 63.200 -0.433 0.000 0.986 313 S HN 1.934 nan 8.310 nan 0.000 0.423 314 G N 1.094 109.666 108.800 -0.379 0.000 3.922 314 G HA2 -0.356 3.601 3.960 -0.004 0.000 0.208 314 G HA3 -0.356 3.601 3.960 -0.004 0.000 0.208 314 G C 0.688 175.751 174.900 0.273 0.000 1.491 314 G CA 0.946 45.934 45.100 -0.186 0.000 1.017 314 G HN 0.655 nan 8.290 nan 0.000 0.603 315 D N 1.306 121.895 120.400 0.315 0.000 2.144 315 D HA 0.140 4.778 4.640 -0.004 0.000 0.199 315 D C 0.500 176.874 176.300 0.123 0.000 0.984 315 D CA 1.379 55.567 54.000 0.314 0.000 0.834 315 D CB -0.367 40.636 40.800 0.338 0.000 0.955 315 D HN 0.646 nan 8.370 nan 0.000 0.465 316 D N -0.994 119.412 120.400 0.011 0.000 3.992 316 D HA -0.170 4.468 4.640 -0.004 0.000 0.250 316 D C -1.431 174.685 176.300 -0.306 0.000 1.040 316 D CA 0.261 54.217 54.000 -0.074 0.000 1.125 316 D CB -1.566 39.280 40.800 0.077 0.000 0.900 316 D HN 0.317 nan 8.370 nan 0.000 0.410 317 F N 2.866 122.523 119.950 -0.488 0.000 2.617 317 F HA 0.501 5.026 4.527 -0.004 0.000 0.325 317 F C -1.602 174.020 175.800 -0.297 0.000 1.179 317 F CA -0.566 57.237 58.000 -0.329 0.000 0.965 317 F CB 1.137 39.971 39.000 -0.276 0.000 1.232 317 F HN 0.008 nan 8.300 nan 0.000 0.461 318 Y N 6.150 126.235 120.300 -0.359 0.000 2.425 318 Y HA 0.664 5.212 4.550 -0.004 0.000 0.344 318 Y C -0.526 175.166 175.900 -0.347 0.000 0.969 318 Y CA -1.074 56.919 58.100 -0.177 0.000 1.052 318 Y CB 2.066 40.501 38.460 -0.043 0.000 1.215 318 Y HN 0.333 nan 8.280 nan 0.000 0.451 319 I N 5.089 125.652 120.570 -0.011 0.000 2.390 319 I HA 0.346 4.513 4.170 -0.004 0.000 0.283 319 I C -0.993 175.160 176.117 0.060 0.000 1.016 319 I CA -0.399 60.886 61.300 -0.025 0.000 1.151 319 I CB 0.783 38.774 38.000 -0.016 0.000 1.293 319 I HN 0.360 nan 8.210 nan 0.000 0.458 320 L N 4.576 125.827 121.223 0.045 0.000 2.343 320 L HA 0.506 4.844 4.340 -0.004 0.000 0.275 320 L C 1.549 178.443 176.870 0.041 0.000 1.056 320 L CA -0.526 54.348 54.840 0.056 0.000 0.804 320 L CB 1.240 43.326 42.059 0.045 0.000 1.203 320 L HN 0.692 nan 8.230 nan 0.000 0.440 321 G N 0.016 108.841 108.800 0.041 0.000 2.708 321 G HA2 -0.156 3.802 3.960 -0.004 0.000 0.210 321 G HA3 -0.156 3.802 3.960 -0.004 0.000 0.210 321 G C 1.110 176.026 174.900 0.026 0.000 1.141 321 G CA 0.692 45.808 45.100 0.026 0.000 0.788 321 G HN 0.709 nan 8.290 nan 0.000 0.531 322 S N -1.148 114.574 115.700 0.037 0.000 2.605 322 S HA 0.396 4.864 4.470 -0.004 0.000 0.217 322 S C 1.655 176.284 174.600 0.049 0.000 0.958 322 S CA 0.695 58.920 58.200 0.043 0.000 0.919 322 S CB 0.136 63.367 63.200 0.051 0.000 0.780 322 S HN 1.327 nan 8.310 nan 0.000 0.507 323 G N 1.016 109.846 108.800 0.050 0.000 2.136 323 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.242 323 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.242 323 G C -0.201 174.757 174.900 0.097 0.000 0.989 323 G CA 0.196 45.353 45.100 0.094 0.000 0.682 323 G HN 0.540 nan 8.290 nan 0.000 0.522 324 L N 0.384 121.629 121.223 0.037 0.000 2.307 324 L HA 0.676 5.014 4.340 -0.004 0.000 0.284 324 L C 0.081 176.908 176.870 -0.073 0.000 1.023 324 L CA -1.191 53.624 54.840 -0.042 0.000 0.810 324 L CB 2.055 44.082 42.059 -0.054 0.000 1.231 324 L HN -0.074 nan 8.230 nan 0.000 0.423 325 V N 1.570 121.387 119.914 -0.162 0.000 2.409 325 V HA 0.446 4.563 4.120 -0.004 0.000 0.291 325 V C 0.133 176.066 176.094 -0.268 0.000 1.020 325 V CA -0.501 61.673 62.300 -0.210 0.000 0.848 325 V CB 1.823 33.528 31.823 -0.197 0.000 0.990 325 V HN 0.876 nan 8.190 nan 0.000 0.430 326 T N 4.208 118.630 114.554 -0.220 0.000 2.829 326 T HA 0.906 5.254 4.350 -0.004 0.000 0.280 326 T C -0.749 173.949 174.700 -0.003 0.000 0.999 326 T CA -0.678 61.325 62.100 -0.161 0.000 0.983 326 T CB 1.741 70.485 68.868 -0.206 0.000 0.968 326 T HN 0.794 nan 8.240 nan 0.000 0.446 327 L N -0.332 120.861 121.223 -0.051 0.000 2.622 327 L HA 0.971 5.309 4.340 -0.004 0.000 0.258 327 L C -1.541 175.083 176.870 -0.411 0.000 0.996 327 L CA -1.389 53.364 54.840 -0.145 0.000 0.858 327 L CB 2.055 44.157 42.059 0.072 0.000 1.449 327 L HN 0.799 nan 8.230 nan 0.000 0.411 328 E N -0.495 119.407 120.200 -0.497 0.000 2.446 328 E HA 0.824 5.172 4.350 -0.004 0.000 0.276 328 E C -1.275 175.193 176.600 -0.221 0.000 0.969 328 E CA -0.574 55.434 56.400 -0.652 0.000 0.800 328 E CB 2.081 30.847 29.700 -1.557 0.000 1.341 328 E HN 0.764 nan 8.360 nan 0.000 0.460 329 T N -1.667 112.731 114.554 -0.259 0.000 2.886 329 T HA 0.515 4.863 4.350 -0.004 0.000 0.292 329 T C -0.483 174.118 174.700 -0.165 0.000 1.012 329 T CA -0.984 61.014 62.100 -0.170 0.000 0.982 329 T CB 1.318 70.078 68.868 -0.180 0.000 1.018 329 T HN 0.368 nan 8.240 nan 0.000 0.451 330 T N 3.550 118.041 114.554 -0.105 0.000 2.751 330 T HA 0.217 4.565 4.350 -0.004 0.000 0.290 330 T C 1.738 176.451 174.700 0.022 0.000 0.919 330 T CA -0.446 61.627 62.100 -0.045 0.000 1.136 330 T CB -0.368 68.545 68.868 0.075 0.000 0.875 330 T HN 0.718 nan 8.240 nan 0.000 0.532 331 I N 1.088 121.688 120.570 0.048 0.000 3.030 331 I HA 0.365 4.533 4.170 -0.004 0.000 0.270 331 I C 1.301 177.496 176.117 0.131 0.000 1.211 331 I CA -0.078 61.278 61.300 0.093 0.000 1.479 331 I CB -0.760 37.305 38.000 0.107 0.000 1.105 331 I HN 0.732 nan 8.210 nan 0.000 0.447 332 G N 2.211 111.105 108.800 0.157 0.000 2.645 332 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.246 332 G HA3 -0.327 3.631 3.960 -0.004 0.000 0.246 332 G C -0.493 174.509 174.900 0.170 0.000 1.322 332 G CA 0.192 45.412 45.100 0.201 0.000 0.898 332 G HN 0.842 nan 8.290 nan 0.000 0.573 333 N N -0.616 118.193 118.700 0.182 0.000 2.493 333 N HA 0.419 5.157 4.740 -0.004 0.000 0.279 333 N C -0.522 175.013 175.510 0.043 0.000 1.082 333 N CA -0.586 52.485 53.050 0.036 0.000 0.963 333 N CB 1.673 40.085 38.487 -0.126 0.000 1.627 333 N HN 0.474 nan 8.380 nan 0.000 0.499 334 K N 1.429 121.805 120.400 -0.040 0.000 2.537 334 K HA 0.261 4.579 4.320 -0.004 0.000 0.206 334 K C -0.790 175.753 176.600 -0.094 0.000 1.041 334 K CA -0.248 56.033 56.287 -0.011 0.000 1.090 334 K CB -0.083 32.409 32.500 -0.013 0.000 0.833 334 K HN 0.427 nan 8.250 nan 0.000 0.493 335 N N 0.585 119.153 118.700 -0.221 0.000 2.518 335 N HA 0.205 4.943 4.740 -0.004 0.000 0.254 335 N C -2.149 173.104 175.510 -0.428 0.000 0.979 335 N CA -2.326 50.578 53.050 -0.243 0.000 0.930 335 N CB 1.507 39.867 38.487 -0.211 0.000 1.152 335 N HN -0.115 nan 8.380 nan 0.000 0.505 336 P HA -0.009 nan 4.420 nan 0.000 0.225 336 P C 0.668 177.849 177.300 -0.199 0.000 1.156 336 P CA 0.484 63.428 63.100 -0.259 0.000 0.787 336 P CB 0.196 31.972 31.700 0.127 0.000 0.802 337 A N -0.823 121.918 122.820 -0.132 0.000 2.259 337 A HA -0.046 4.272 4.320 -0.004 0.000 0.212 337 A C 1.812 179.371 177.584 -0.041 0.000 1.178 337 A CA 0.887 52.891 52.037 -0.056 0.000 0.734 337 A CB -1.168 17.813 19.000 -0.031 0.000 0.774 337 A HN 0.126 nan 8.150 nan 0.000 0.481 338 L N -3.309 117.813 121.223 -0.170 0.000 2.638 338 L HA 0.226 4.564 4.340 -0.004 0.000 0.232 338 L C 1.519 178.432 176.870 0.073 0.000 1.099 338 L CA 0.417 55.248 54.840 -0.015 0.000 0.883 338 L CB -0.517 41.425 42.059 -0.194 0.000 1.136 338 L HN 0.634 nan 8.230 nan 0.000 0.492 339 W N 0.807 122.182 121.300 0.126 0.000 2.468 339 W HA -0.194 4.464 4.660 -0.003 0.000 0.262 339 W C 2.159 178.710 176.519 0.053 0.000 1.241 339 W CA 0.555 57.956 57.345 0.093 0.000 1.232 339 W CB -0.151 29.343 29.460 0.056 0.000 1.124 339 W HN 0.195 nan 8.180 nan 0.000 0.597 340 K N -0.146 120.338 120.400 0.139 0.000 2.360 340 K HA -0.185 4.133 4.320 -0.004 0.000 0.201 340 K C 0.938 177.438 176.600 -0.166 0.000 1.046 340 K CA 1.358 57.598 56.287 -0.079 0.000 0.945 340 K CB -0.824 31.518 32.500 -0.264 0.000 0.750 340 K HN 0.230 nan 8.250 nan 0.000 0.464 341 Y N 1.012 121.385 120.300 0.122 0.000 2.490 341 Y HA 0.148 4.696 4.550 -0.003 0.000 0.281 341 Y C 0.241 176.230 175.900 0.147 0.000 1.174 341 Y CA -0.546 57.613 58.100 0.100 0.000 1.295 341 Y CB 0.641 39.139 38.460 0.064 0.000 1.062 341 Y HN -0.190 nan 8.280 nan 0.000 0.522 342 V N 2.966 123.073 119.914 0.322 0.000 2.372 342 V HA 0.173 4.291 4.120 -0.004 0.000 0.261 342 V C -0.224 176.080 176.094 0.349 0.000 1.055 342 V CA -0.357 62.141 62.300 0.330 0.000 0.930 342 V CB 0.248 32.258 31.823 0.312 0.000 1.031 342 V HN 0.145 nan 8.190 nan 0.000 0.479 343 Q N 5.564 125.554 119.800 0.317 0.000 2.423 343 Q HA 0.418 4.756 4.340 -0.004 0.000 0.278 343 Q C -2.115 173.805 176.000 -0.133 0.000 1.097 343 Q CA -2.008 53.886 55.803 0.152 0.000 0.809 343 Q CB 2.478 31.209 28.738 -0.012 0.000 1.391 343 Q HN 0.217 nan 8.270 nan 0.000 0.428 344 P HA -0.129 nan 4.420 nan 0.000 0.215 344 P C -0.317 176.645 177.300 -0.564 0.000 1.157 344 P CA 1.347 63.942 63.100 -0.843 0.000 0.863 344 P CB 0.451 31.731 31.700 -0.701 0.000 0.787 345 Q N -1.329 118.098 119.800 -0.622 0.000 2.235 345 Q HA 0.546 4.883 4.340 -0.004 0.000 0.250 345 Q C 1.140 176.468 176.000 -1.120 0.000 0.909 345 Q CA 0.514 55.610 55.803 -1.179 0.000 0.910 345 Q CB 0.412 28.636 28.738 -0.856 0.000 1.223 345 Q HN 0.235 nan 8.270 nan 0.000 0.432 346 G N 0.504 108.171 108.800 -1.888 0.000 2.179 346 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.260 346 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.260 346 G C -0.102 174.697 174.900 -0.168 0.000 0.977 346 G CA -0.031 44.685 45.100 -0.640 0.000 0.641 346 G HN 0.629 nan 8.290 nan 0.000 0.533 347 C N 0.589 119.692 119.300 -0.329 0.000 2.408 347 C HA 0.722 5.180 4.460 -0.004 0.000 0.321 347 C C 0.442 175.557 174.990 0.208 0.000 1.245 347 C CA -0.881 58.169 59.018 0.055 0.000 1.523 347 C CB 1.498 29.285 27.740 0.078 0.000 2.178 347 C HN 0.386 nan 8.230 nan 0.000 0.488 348 V N 4.785 124.848 119.914 0.248 0.000 2.417 348 V HA 0.361 4.479 4.120 -0.004 0.000 0.291 348 V C 0.139 176.277 176.094 0.072 0.000 1.024 348 V CA -0.442 61.957 62.300 0.166 0.000 0.861 348 V CB 1.407 33.277 31.823 0.079 0.000 0.985 348 V HN 0.721 nan 8.190 nan 0.000 0.436 349 L N 3.290 124.560 121.223 0.078 0.000 2.485 349 L HA 0.115 4.452 4.340 -0.004 0.000 0.275 349 L C 1.933 178.812 176.870 0.015 0.000 1.207 349 L CA 0.194 55.115 54.840 0.135 0.000 0.855 349 L CB 0.258 42.489 42.059 0.287 0.000 1.114 349 L HN 0.750 nan 8.230 nan 0.000 0.485 350 E N 3.986 124.298 120.200 0.186 0.000 2.108 350 E HA -0.257 4.091 4.350 -0.004 0.000 0.203 350 E C 1.844 178.559 176.600 0.191 0.000 1.022 350 E CA 2.515 59.065 56.400 0.250 0.000 0.823 350 E CB -0.114 29.943 29.700 0.595 0.000 0.744 350 E HN 0.858 nan 8.360 nan 0.000 0.456 351 W N 0.772 122.072 121.300 0.000 0.000 2.342 351 W HA -0.189 4.469 4.660 -0.003 0.000 0.297 351 W C 1.836 178.170 176.519 -0.308 0.000 1.213 351 W CA 0.743 57.822 57.345 -0.442 0.000 1.251 351 W CB -1.137 27.694 29.460 -1.048 0.000 1.136 351 W HN -0.000 nan 8.180 nan 0.000 0.526 352 I N 1.514 121.381 120.570 -1.172 0.000 2.163 352 I HA -0.266 3.902 4.170 -0.004 0.000 0.240 352 I C 3.000 178.809 176.117 -0.514 0.000 1.081 352 I CA 1.619 62.299 61.300 -1.035 0.000 1.353 352 I CB -0.685 36.685 38.000 -1.050 0.000 1.054 352 I HN -0.143 nan 8.210 nan 0.000 0.407 353 R N 0.689 120.954 120.500 -0.391 0.000 2.096 353 R HA -0.223 4.115 4.340 -0.004 0.000 0.240 353 R C 2.220 178.418 176.300 -0.171 0.000 1.139 353 R CA 1.780 57.691 56.100 -0.314 0.000 0.952 353 R CB -0.792 29.229 30.300 -0.465 0.000 0.854 353 R HN 0.383 nan 8.270 nan 0.000 0.436 354 N N 0.987 119.704 118.700 0.028 0.000 2.037 354 N HA -0.167 4.571 4.740 -0.004 0.000 0.196 354 N C 1.688 177.129 175.510 -0.114 0.000 1.034 354 N CA 1.762 54.843 53.050 0.052 0.000 0.861 354 N CB -0.245 38.456 38.487 0.356 0.000 1.039 354 N HN 0.021 nan 8.380 nan 0.000 0.427 355 V N 0.320 120.167 119.914 -0.112 0.000 2.270 355 V HA -0.167 3.951 4.120 -0.004 0.000 0.245 355 V C 2.575 178.562 176.094 -0.178 0.000 1.043 355 V CA 1.478 63.711 62.300 -0.111 0.000 1.014 355 V CB -0.672 31.136 31.823 -0.025 0.000 0.645 355 V HN 0.137 nan 8.190 nan 0.000 0.447 356 V N 0.627 120.382 119.914 -0.264 0.000 2.278 356 V HA -0.342 3.776 4.120 -0.004 0.000 0.251 356 V C 2.736 178.653 176.094 -0.295 0.000 1.062 356 V CA 2.334 64.448 62.300 -0.310 0.000 1.038 356 V CB -1.336 30.202 31.823 -0.476 0.000 0.646 356 V HN 0.573 nan 8.190 nan 0.000 0.447 357 A N 0.010 122.582 122.820 -0.413 0.000 1.877 357 A HA -0.282 4.036 4.320 -0.004 0.000 0.216 357 A C 2.070 179.416 177.584 -0.397 0.000 1.186 357 A CA 2.262 53.893 52.037 -0.676 0.000 0.620 357 A CB -0.934 17.174 19.000 -1.488 0.000 0.822 357 A HN 0.679 nan 8.150 nan 0.000 0.443 358 N N -1.287 117.328 118.700 -0.142 0.000 2.205 358 N HA -0.174 4.564 4.740 -0.004 0.000 0.186 358 N C 2.036 177.553 175.510 0.013 0.000 1.015 358 N CA 1.137 54.215 53.050 0.046 0.000 0.862 358 N CB -0.117 38.277 38.487 -0.155 0.000 0.986 358 N HN 0.473 nan 8.380 nan 0.000 0.429 359 R N 0.463 120.942 120.500 -0.035 0.000 2.100 359 R HA 0.096 4.434 4.340 -0.004 0.000 0.220 359 R C 1.697 178.009 176.300 0.020 0.000 1.091 359 R CA 0.641 56.748 56.100 0.012 0.000 0.986 359 R CB 0.178 30.494 30.300 0.026 0.000 0.888 359 R HN 0.205 nan 8.270 nan 0.000 0.444 360 L N 0.073 121.285 121.223 -0.019 0.000 2.408 360 L HA 0.278 4.616 4.340 -0.004 0.000 0.215 360 L C 0.831 177.716 176.870 0.025 0.000 1.081 360 L CA -0.240 54.600 54.840 -0.001 0.000 0.840 360 L CB 0.051 42.090 42.059 -0.034 0.000 1.002 360 L HN 0.063 nan 8.230 nan 0.000 0.468 361 A N -0.031 122.814 122.820 0.042 0.000 2.498 361 A HA 0.249 4.567 4.320 -0.004 0.000 0.239 361 A C 0.794 178.434 177.584 0.094 0.000 1.068 361 A CA 0.264 52.362 52.037 0.102 0.000 0.766 361 A CB 0.452 19.611 19.000 0.264 0.000 1.003 361 A HN 0.282 nan 8.150 nan 0.000 0.497 362 L N 0.512 121.785 121.223 0.082 0.000 2.586 362 L HA 0.198 4.535 4.340 -0.004 0.000 0.204 362 L C 0.143 177.051 176.870 0.063 0.000 1.053 362 L CA 0.152 55.032 54.840 0.067 0.000 0.856 362 L CB 0.042 42.133 42.059 0.054 0.000 1.192 362 L HN 0.718 nan 8.230 nan 0.000 0.484 363 D N -0.908 119.530 120.400 0.064 0.000 2.432 363 D HA 0.274 4.912 4.640 -0.004 0.000 0.258 363 D C 1.005 177.345 176.300 0.067 0.000 1.146 363 D CA 0.268 54.299 54.000 0.051 0.000 1.015 363 D CB 0.969 41.794 40.800 0.040 0.000 1.107 363 D HN 0.066 nan 8.370 nan 0.000 0.529 364 G N -0.403 108.414 108.800 0.028 0.000 2.421 364 G HA2 -0.078 3.880 3.960 -0.004 0.000 0.217 364 G HA3 -0.078 3.880 3.960 -0.004 0.000 0.217 364 G C 1.343 176.295 174.900 0.086 0.000 1.143 364 G CA 0.743 45.854 45.100 0.019 0.000 0.784 364 G HN 0.458 nan 8.290 nan 0.000 0.541 365 A N 0.534 123.389 122.820 0.059 0.000 1.929 365 A HA 0.047 4.364 4.320 -0.004 0.000 0.216 365 A C 2.520 180.147 177.584 0.072 0.000 1.176 365 A CA 2.269 54.340 52.037 0.057 0.000 0.628 365 A CB -0.733 18.282 19.000 0.026 0.000 0.816 365 A HN 0.272 nan 8.150 nan 0.000 0.444 366 T N -1.698 112.902 114.554 0.077 0.000 2.737 366 T HA -0.196 4.152 4.350 -0.004 0.000 0.265 366 T C 1.513 176.261 174.700 0.079 0.000 1.038 366 T CA 1.337 63.474 62.100 0.062 0.000 1.144 366 T CB -0.376 68.527 68.868 0.059 0.000 0.866 366 T HN 0.700 nan 8.240 nan 0.000 0.434 367 W N 2.020 123.290 121.300 -0.051 0.000 2.315 367 W HA -0.156 4.502 4.660 -0.004 0.000 0.323 367 W C 2.708 179.188 176.519 -0.066 0.000 1.233 367 W CA 1.735 59.033 57.345 -0.078 0.000 1.267 367 W CB -0.609 28.782 29.460 -0.115 0.000 1.160 367 W HN 0.265 nan 8.180 nan 0.000 0.474 368 A N 0.354 123.396 122.820 0.370 0.000 1.884 368 A HA -0.326 3.992 4.320 -0.004 0.000 0.219 368 A C 1.676 179.288 177.584 0.046 0.000 1.197 368 A CA 2.530 54.720 52.037 0.255 0.000 0.637 368 A CB -1.333 17.784 19.000 0.195 0.000 0.827 368 A HN 0.374 nan 8.150 nan 0.000 0.450 369 D N -0.461 119.939 120.400 -0.000 0.000 2.106 369 D HA -0.139 4.499 4.640 -0.004 0.000 0.191 369 D C 2.038 178.261 176.300 -0.128 0.000 0.997 369 D CA 1.746 55.709 54.000 -0.062 0.000 0.834 369 D CB -0.539 40.230 40.800 -0.052 0.000 0.956 369 D HN 0.242 nan 8.370 nan 0.000 0.448 370 V N 0.358 120.172 119.914 -0.167 0.000 2.358 370 V HA -0.197 3.921 4.120 -0.004 0.000 0.246 370 V C 2.124 178.073 176.094 -0.242 0.000 1.047 370 V CA 1.185 63.370 62.300 -0.192 0.000 1.035 370 V CB -0.601 31.090 31.823 -0.219 0.000 0.658 370 V HN 0.102 nan 8.190 nan 0.000 0.452 371 F N 1.220 120.821 119.950 -0.581 0.000 2.171 371 F HA -0.136 4.389 4.527 -0.004 0.000 0.300 371 F C 2.315 177.930 175.800 -0.307 0.000 1.090 371 F CA 1.636 59.268 58.000 -0.613 0.000 1.293 371 F CB -0.223 38.158 39.000 -1.033 0.000 1.013 371 F HN 0.016 nan 8.300 nan 0.000 0.486 372 K N 0.246 120.535 120.400 -0.184 0.000 2.097 372 K HA -0.126 4.192 4.320 -0.004 0.000 0.206 372 K C 0.631 177.066 176.600 -0.275 0.000 1.049 372 K CA 0.753 56.929 56.287 -0.186 0.000 0.933 372 K CB -0.252 32.182 32.500 -0.109 0.000 0.717 372 K HN 0.184 nan 8.250 nan 0.000 0.442 373 R N 0.736 121.047 120.500 -0.316 0.000 2.538 373 R HA -0.051 4.287 4.340 -0.004 0.000 0.282 373 R C -0.291 175.851 176.300 -0.264 0.000 1.009 373 R CA 0.243 56.066 56.100 -0.462 0.000 1.063 373 R CB -0.223 29.717 30.300 -0.599 0.000 0.945 373 R HN 0.139 nan 8.270 nan 0.000 0.414 374 F N -0.405 119.456 119.950 -0.148 0.000 3.027 374 F HA -0.287 4.238 4.527 -0.003 0.000 0.276 374 F C 0.648 176.400 175.800 -0.080 0.000 0.967 374 F CA 0.346 58.320 58.000 -0.044 0.000 0.929 374 F CB -1.720 37.348 39.000 0.113 0.000 0.873 374 F HN 0.625 nan 8.300 nan 0.000 0.787 375 N N 1.410 120.086 118.700 -0.040 0.000 2.359 375 N HA 0.065 4.803 4.740 -0.004 0.000 0.261 375 N C 0.934 176.473 175.510 0.048 0.000 1.267 375 N CA 0.839 53.851 53.050 -0.063 0.000 0.864 375 N CB 1.008 39.447 38.487 -0.080 0.000 1.063 375 N HN 0.284 nan 8.380 nan 0.000 0.474 376 S N 2.113 117.860 115.700 0.078 0.000 2.492 376 S HA 0.214 4.682 4.470 -0.004 0.000 0.218 376 S C 1.471 176.204 174.600 0.221 0.000 1.016 376 S CA 0.225 58.526 58.200 0.169 0.000 0.916 376 S CB -0.332 62.986 63.200 0.197 0.000 0.791 376 S HN 1.033 nan 8.310 nan 0.000 0.513 377 G N 1.842 110.765 108.800 0.205 0.000 2.155 377 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.257 377 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.257 377 G C 0.179 175.286 174.900 0.345 0.000 0.983 377 G CA 0.571 45.828 45.100 0.262 0.000 0.676 377 G HN 1.219 nan 8.290 nan 0.000 0.528 378 T N -3.468 111.277 114.554 0.319 0.000 2.855 378 T HA 0.566 4.913 4.350 -0.004 0.000 0.281 378 T C 0.096 175.068 174.700 0.453 0.000 1.007 378 T CA -0.052 62.256 62.100 0.346 0.000 1.009 378 T CB 2.065 71.098 68.868 0.275 0.000 0.983 378 T HN 1.400 nan 8.240 nan 0.000 0.455 379 Y N 1.799 122.275 120.300 0.293 0.000 2.970 379 Y HA -0.235 4.313 4.550 -0.003 0.000 0.164 379 Y C -0.621 175.511 175.900 0.387 0.000 1.661 379 Y CA -0.485 57.817 58.100 0.337 0.000 0.895 379 Y CB -1.120 37.577 38.460 0.394 0.000 1.437 379 Y HN 0.751 nan 8.280 nan 0.000 0.371 380 N N 4.852 123.756 118.700 0.340 0.000 2.406 380 N HA 0.207 4.945 4.740 -0.004 0.000 0.251 380 N C -0.622 174.980 175.510 0.154 0.000 1.069 380 N CA -0.009 53.202 53.050 0.269 0.000 0.947 380 N CB 0.784 39.424 38.487 0.255 0.000 1.111 380 N HN 0.418 nan 8.380 nan 0.000 0.497 381 N N 0.867 119.683 118.700 0.193 0.000 2.380 381 N HA 0.156 4.894 4.740 -0.004 0.000 0.290 381 N C -0.701 174.874 175.510 0.108 0.000 1.236 381 N CA -0.537 52.526 53.050 0.023 0.000 0.780 381 N CB 1.817 40.158 38.487 -0.244 0.000 1.438 381 N HN 0.418 nan 8.380 nan 0.000 0.491 382 Q N 0.760 120.536 119.800 -0.039 0.000 2.331 382 Q HA 0.252 4.590 4.340 -0.004 0.000 0.257 382 Q C -1.329 174.588 176.000 -0.138 0.000 0.957 382 Q CA -0.465 55.346 55.803 0.014 0.000 0.923 382 Q CB 0.629 29.367 28.738 0.000 0.000 1.212 382 Q HN 0.474 nan 8.270 nan 0.000 0.443 383 W N 5.071 126.331 121.300 -0.066 0.000 2.314 383 W HA 0.381 5.039 4.660 -0.004 0.000 0.310 383 W C -0.435 175.907 176.519 -0.296 0.000 1.075 383 W CA -0.513 56.710 57.345 -0.204 0.000 1.253 383 W CB 1.085 30.374 29.460 -0.286 0.000 1.238 383 W HN 0.500 nan 8.180 nan 0.000 0.440 384 M N 5.185 124.695 119.600 -0.150 0.000 2.080 384 M HA 0.349 4.827 4.480 -0.004 0.000 0.350 384 M C -0.811 175.303 176.300 -0.310 0.000 1.173 384 M CA -0.370 54.769 55.300 -0.269 0.000 1.052 384 M CB 0.562 33.012 32.600 -0.251 0.000 1.577 384 M HN 0.134 nan 8.290 nan 0.000 0.455 385 I N 4.315 124.661 120.570 -0.373 0.000 2.354 385 I HA 0.328 4.496 4.170 -0.004 0.000 0.286 385 I C -0.633 175.283 176.117 -0.335 0.000 1.007 385 I CA -0.451 60.591 61.300 -0.431 0.000 1.167 385 I CB 1.170 38.859 38.000 -0.517 0.000 1.320 385 I HN 0.293 nan 8.210 nan 0.000 0.458 386 V N 4.644 124.357 119.914 -0.334 0.000 2.370 386 V HA 0.327 4.445 4.120 -0.004 0.000 0.279 386 V C -0.348 175.545 176.094 -0.336 0.000 1.029 386 V CA -0.484 61.600 62.300 -0.360 0.000 0.870 386 V CB 1.601 33.148 31.823 -0.462 0.000 0.984 386 V HN 0.593 nan 8.190 nan 0.000 0.451 387 D N 2.990 123.248 120.400 -0.236 0.000 2.454 387 D HA 0.271 4.909 4.640 -0.004 0.000 0.225 387 D C 0.512 176.809 176.300 -0.006 0.000 1.081 387 D CA -0.267 53.673 54.000 -0.099 0.000 0.864 387 D CB 0.697 41.479 40.800 -0.031 0.000 1.040 387 D HN 0.528 nan 8.370 nan 0.000 0.517 388 Y N 2.153 122.523 120.300 0.117 0.000 2.497 388 Y HA -0.101 4.447 4.550 -0.004 0.000 0.292 388 Y C 2.126 178.243 175.900 0.362 0.000 1.137 388 Y CA 0.590 58.860 58.100 0.283 0.000 1.285 388 Y CB 0.349 38.952 38.460 0.238 0.000 0.991 388 Y HN 0.295 nan 8.280 nan 0.000 0.556 389 K N -0.185 120.415 120.400 0.334 0.000 2.097 389 K HA -0.141 4.176 4.320 -0.004 0.000 0.206 389 K C 2.170 178.894 176.600 0.207 0.000 1.049 389 K CA 1.130 57.563 56.287 0.243 0.000 0.933 389 K CB -0.203 32.382 32.500 0.141 0.000 0.717 389 K HN 0.239 nan 8.250 nan 0.000 0.442 390 A N 0.843 123.775 122.820 0.186 0.000 2.169 390 A HA -0.003 4.315 4.320 -0.004 0.000 0.212 390 A C 0.516 178.206 177.584 0.178 0.000 1.153 390 A CA -0.033 52.084 52.037 0.133 0.000 0.756 390 A CB -0.219 18.833 19.000 0.087 0.000 0.813 390 A HN 0.240 nan 8.150 nan 0.000 0.471 391 F N 0.333 120.352 119.950 0.116 0.000 2.424 391 F HA 0.520 5.046 4.527 -0.002 0.000 0.356 391 F C -0.420 175.340 175.800 -0.066 0.000 1.110 391 F CA -1.451 56.594 58.000 0.076 0.000 1.161 391 F CB 0.891 39.992 39.000 0.169 0.000 1.115 391 F HN 0.033 nan 8.300 nan 0.000 0.507 392 L N 9.567 130.337 121.223 -0.754 0.000 2.298 392 L HA 0.594 4.931 4.340 -0.004 0.000 0.284 392 L C -2.522 173.733 176.870 -1.026 0.000 1.013 392 L CA -2.204 52.226 54.840 -0.683 0.000 0.824 392 L CB 0.912 42.766 42.059 -0.341 0.000 1.221 392 L HN 0.410 nan 8.230 nan 0.000 0.418 393 P HA 0.183 nan 4.420 nan 0.000 0.264 393 P C -0.266 176.869 177.300 -0.275 0.000 1.193 393 P CA 0.392 63.179 63.100 -0.521 0.000 0.763 393 P CB 0.375 31.909 31.700 -0.278 0.000 0.810 394 N N -0.500 118.110 118.700 -0.150 0.000 2.946 394 N HA -0.157 4.581 4.740 -0.004 0.000 0.228 394 N C 0.835 176.289 175.510 -0.094 0.000 0.873 394 N CA 1.875 54.888 53.050 -0.061 0.000 1.029 394 N CB -1.861 36.639 38.487 0.022 0.000 1.047 394 N HN 0.623 nan 8.380 nan 0.000 0.612 395 G N 1.355 110.057 108.800 -0.163 0.000 2.653 395 G HA2 0.486 4.444 3.960 -0.004 0.000 0.265 395 G HA3 0.486 4.444 3.960 -0.004 0.000 0.265 395 G C -1.640 173.223 174.900 -0.062 0.000 1.237 395 G CA -0.222 44.802 45.100 -0.127 0.000 0.946 395 G HN 0.149 nan 8.290 nan 0.000 0.522 396 P HA 0.291 nan 4.420 nan 0.000 0.306 396 P C -0.162 177.020 177.300 -0.196 0.000 1.309 396 P CA -0.585 62.485 63.100 -0.050 0.000 0.759 396 P CB 0.822 32.481 31.700 -0.069 0.000 1.314 397 S N 0.096 115.562 115.700 -0.390 0.000 2.516 397 S HA 0.162 4.630 4.470 -0.004 0.000 0.282 397 S C -1.440 172.878 174.600 -0.471 0.000 1.286 397 S CA -0.890 56.777 58.200 -0.889 0.000 1.066 397 S CB -0.737 62.012 63.200 -0.752 0.000 0.884 397 S HN 0.202 nan 8.310 nan 0.000 0.491 398 P HA 0.229 nan 4.420 nan 0.000 0.242 398 P C 1.071 178.262 177.300 -0.180 0.000 1.197 398 P CA 0.786 63.753 63.100 -0.221 0.000 0.765 398 P CB -0.218 31.392 31.700 -0.149 0.000 0.936 399 G N -0.299 108.362 108.800 -0.232 0.000 2.347 399 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.247 399 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.247 399 G C 0.320 175.163 174.900 -0.094 0.000 1.037 399 G CA 0.451 45.464 45.100 -0.144 0.000 0.622 399 G HN 0.774 nan 8.290 nan 0.000 0.521 400 S N -2.489 113.160 115.700 -0.084 0.000 2.588 400 S HA 0.768 5.236 4.470 -0.004 0.000 0.269 400 S C 0.316 174.896 174.600 -0.032 0.000 1.157 400 S CA 0.406 58.578 58.200 -0.047 0.000 0.824 400 S CB 1.811 64.989 63.200 -0.036 0.000 1.126 400 S HN 1.263 nan 8.310 nan 0.000 0.464 401 R N -1.214 119.272 120.500 -0.023 0.000 3.205 401 R HA -0.175 4.163 4.340 -0.004 0.000 0.425 401 R C 1.113 177.406 176.300 -0.012 0.000 0.465 401 R CA 1.186 57.278 56.100 -0.014 0.000 1.455 401 R CB -2.525 27.774 30.300 -0.001 0.000 1.999 401 R HN 0.504 nan 8.270 nan 0.000 0.317 402 V N 0.642 120.562 119.914 0.009 0.000 2.283 402 V HA -0.040 4.078 4.120 -0.004 0.000 0.243 402 V C 0.942 176.988 176.094 -0.080 0.000 1.039 402 V CA 1.913 64.228 62.300 0.024 0.000 1.016 402 V CB -0.226 31.700 31.823 0.172 0.000 0.650 402 V HN 0.222 nan 8.190 nan 0.000 0.449 403 L N 0.202 121.363 121.223 -0.103 0.000 2.356 403 L HA 0.605 4.943 4.340 -0.004 0.000 0.277 403 L C -0.577 176.141 176.870 -0.252 0.000 0.996 403 L CA 0.294 54.999 54.840 -0.225 0.000 0.822 403 L CB 1.677 43.568 42.059 -0.280 0.000 1.256 403 L HN 0.084 nan 8.230 nan 0.000 0.413 404 T N 5.976 120.364 114.554 -0.277 0.000 2.812 404 T HA 0.637 4.985 4.350 -0.004 0.000 0.282 404 T C -0.586 173.942 174.700 -0.286 0.000 0.990 404 T CA -0.146 61.821 62.100 -0.221 0.000 0.960 404 T CB 1.168 69.965 68.868 -0.118 0.000 0.948 404 T HN 0.327 nan 8.240 nan 0.000 0.438 405 I N 3.254 123.673 120.570 -0.253 0.000 2.378 405 I HA 0.511 4.679 4.170 -0.004 0.000 0.291 405 I C -0.611 175.602 176.117 0.161 0.000 0.992 405 I CA -0.538 60.641 61.300 -0.202 0.000 1.154 405 I CB 1.554 39.236 38.000 -0.529 0.000 1.315 405 I HN 0.466 nan 8.210 nan 0.000 0.448 406 L N 6.562 127.910 121.223 0.208 0.000 2.365 406 L HA 0.634 4.972 4.340 -0.004 0.000 0.273 406 L C -0.966 176.148 176.870 0.407 0.000 1.000 406 L CA -0.233 54.811 54.840 0.340 0.000 0.819 406 L CB 1.485 43.734 42.059 0.317 0.000 1.284 406 L HN 0.588 nan 8.230 nan 0.000 0.418 407 E N 3.807 124.274 120.200 0.445 0.000 2.248 407 E HA 0.323 4.671 4.350 -0.004 0.000 0.267 407 E C -1.668 175.126 176.600 0.324 0.000 0.877 407 E CA -0.630 56.009 56.400 0.398 0.000 0.759 407 E CB 2.392 32.368 29.700 0.460 0.000 1.182 407 E HN 0.492 nan 8.360 nan 0.000 0.418 408 Q N 4.433 124.428 119.800 0.325 0.000 2.340 408 Q HA 0.580 4.918 4.340 -0.004 0.000 0.268 408 Q C -1.245 174.877 176.000 0.203 0.000 1.031 408 Q CA -0.611 55.356 55.803 0.273 0.000 0.804 408 Q CB 1.157 30.127 28.738 0.386 0.000 1.286 408 Q HN 0.669 nan 8.270 nan 0.000 0.448 409 I N -0.423 120.222 120.570 0.125 0.000 3.074 409 I HA 0.653 4.821 4.170 -0.004 0.000 0.310 409 I C -2.610 173.532 176.117 0.042 0.000 1.153 409 I CA -3.346 58.003 61.300 0.081 0.000 0.993 409 I CB 2.108 40.119 38.000 0.019 0.000 1.237 409 I HN 0.409 nan 8.210 nan 0.000 0.443 410 P HA 0.082 nan 4.420 nan 0.000 0.256 410 P C 0.766 177.981 177.300 -0.142 0.000 1.173 410 P CA 1.398 64.537 63.100 0.065 0.000 0.768 410 P CB 0.218 31.992 31.700 0.123 0.000 0.758 411 G N 2.595 111.288 108.800 -0.178 0.000 2.162 411 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.260 411 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.260 411 G C -0.026 174.660 174.900 -0.358 0.000 0.976 411 G CA 0.370 45.176 45.100 -0.490 0.000 0.655 411 G HN 0.622 nan 8.290 nan 0.000 0.533 412 M N 0.060 119.545 119.600 -0.192 0.000 2.271 412 M HA 0.676 5.154 4.480 -0.004 0.000 0.285 412 M C -1.634 174.643 176.300 -0.039 0.000 1.059 412 M CA -0.748 54.476 55.300 -0.127 0.000 0.940 412 M CB 2.439 34.962 32.600 -0.128 0.000 1.636 412 M HN 0.154 nan 8.290 nan 0.000 0.460 413 V N 5.226 125.118 119.914 -0.037 0.000 2.525 413 V HA 0.609 4.727 4.120 -0.004 0.000 0.299 413 V C -0.955 175.117 176.094 -0.036 0.000 1.034 413 V CA -0.682 61.628 62.300 0.018 0.000 0.863 413 V CB 1.970 33.816 31.823 0.037 0.000 0.999 413 V HN 0.724 nan 8.190 nan 0.000 0.423 414 V N 5.636 125.521 119.914 -0.049 0.000 2.459 414 V HA 0.630 4.748 4.120 -0.004 0.000 0.295 414 V C -0.267 175.682 176.094 -0.243 0.000 1.029 414 V CA -0.573 61.567 62.300 -0.266 0.000 0.874 414 V CB 1.980 33.474 31.823 -0.548 0.000 0.985 414 V HN 0.600 nan 8.190 nan 0.000 0.438 415 V N 3.195 122.969 119.914 -0.233 0.000 2.680 415 V HA 0.985 5.103 4.120 -0.004 0.000 0.309 415 V C 0.070 176.122 176.094 -0.070 0.000 1.052 415 V CA -0.389 61.880 62.300 -0.051 0.000 0.908 415 V CB 1.805 33.636 31.823 0.013 0.000 1.001 415 V HN 1.103 nan 8.190 nan 0.000 0.431 416 A N 1.969 124.864 122.820 0.125 0.000 2.594 416 A HA 0.625 4.943 4.320 -0.004 0.000 0.295 416 A C -1.387 176.229 177.584 0.055 0.000 1.071 416 A CA -0.544 51.571 52.037 0.130 0.000 0.685 416 A CB 1.721 20.915 19.000 0.323 0.000 1.285 416 A HN 0.736 nan 8.150 nan 0.000 0.405 417 D N 1.529 121.938 120.400 0.014 0.000 2.380 417 D HA 0.236 4.874 4.640 -0.004 0.000 0.230 417 D C -0.370 175.897 176.300 -0.055 0.000 1.154 417 D CA -0.091 53.886 54.000 -0.040 0.000 0.859 417 D CB 0.728 41.514 40.800 -0.025 0.000 1.045 417 D HN 0.303 nan 8.370 nan 0.000 0.495 418 K N 2.960 123.265 120.400 -0.158 0.000 2.814 418 K HA 0.125 4.442 4.320 -0.004 0.000 0.213 418 K C 1.194 177.733 176.600 -0.102 0.000 1.113 418 K CA -0.224 55.958 56.287 -0.174 0.000 1.145 418 K CB 0.383 32.592 32.500 -0.486 0.000 0.948 418 K HN 0.344 nan 8.250 nan 0.000 0.464 419 T N 0.670 115.203 114.554 -0.035 0.000 2.701 419 T HA -0.152 4.196 4.350 -0.004 0.000 0.263 419 T C 1.959 176.746 174.700 0.146 0.000 1.040 419 T CA 1.677 63.814 62.100 0.062 0.000 1.147 419 T CB 0.028 68.910 68.868 0.023 0.000 0.865 419 T HN 0.384 nan 8.240 nan 0.000 0.426 420 A N 1.517 124.378 122.820 0.068 0.000 1.892 420 A HA -0.218 4.100 4.320 -0.004 0.000 0.218 420 A C 2.198 179.860 177.584 0.130 0.000 1.188 420 A CA 2.294 54.380 52.037 0.082 0.000 0.631 420 A CB -0.778 18.248 19.000 0.044 0.000 0.822 420 A HN 0.532 nan 8.150 nan 0.000 0.447 421 E N -0.354 119.914 120.200 0.114 0.000 2.038 421 E HA -0.202 4.146 4.350 -0.004 0.000 0.195 421 E C 1.820 178.491 176.600 0.118 0.000 1.000 421 E CA 1.500 57.975 56.400 0.125 0.000 0.803 421 E CB -0.436 29.377 29.700 0.187 0.000 0.750 421 E HN 0.444 nan 8.360 nan 0.000 0.448 422 L N -0.385 120.916 121.223 0.130 0.000 2.043 422 L HA -0.202 4.136 4.340 -0.004 0.000 0.212 422 L C 2.020 178.912 176.870 0.037 0.000 1.075 422 L CA 1.897 56.783 54.840 0.076 0.000 0.752 422 L CB -0.635 41.447 42.059 0.038 0.000 0.891 422 L HN 0.297 nan 8.230 nan 0.000 0.432 423 Y N -0.427 119.895 120.300 0.037 0.000 2.243 423 Y HA -0.167 4.382 4.550 -0.001 0.000 0.293 423 Y C 2.675 178.598 175.900 0.038 0.000 1.124 423 Y CA 1.723 59.849 58.100 0.042 0.000 1.159 423 Y CB -0.213 38.266 38.460 0.031 0.000 1.008 423 Y HN 0.192 nan 8.280 nan 0.000 0.527 424 K N 0.059 120.567 120.400 0.180 0.000 2.026 424 K HA -0.178 4.140 4.320 -0.004 0.000 0.208 424 K C 1.849 178.497 176.600 0.080 0.000 1.048 424 K CA 2.061 58.414 56.287 0.110 0.000 0.929 424 K CB -0.265 32.287 32.500 0.087 0.000 0.713 424 K HN 0.377 nan 8.250 nan 0.000 0.439 425 T N -2.698 111.890 114.554 0.057 0.000 3.060 425 T HA 0.007 4.355 4.350 -0.004 0.000 0.249 425 T C 0.880 175.656 174.700 0.128 0.000 1.079 425 T CA 0.851 62.984 62.100 0.055 0.000 1.013 425 T CB -0.226 68.599 68.868 -0.072 0.000 0.975 425 T HN 0.499 nan 8.240 nan 0.000 0.518 426 T N -1.446 113.153 114.554 0.075 0.000 6.885 426 T HA -0.262 4.086 4.350 -0.004 0.000 0.286 426 T C 0.008 174.800 174.700 0.154 0.000 2.119 426 T CA 1.429 63.568 62.100 0.064 0.000 3.358 426 T CB -3.164 65.744 68.868 0.066 0.000 1.764 426 T HN 1.292 nan 8.240 nan 0.000 1.202 427 Y N -2.747 117.545 120.300 -0.014 0.000 2.656 427 Y HA 0.656 5.204 4.550 -0.003 0.000 0.334 427 Y C -1.769 174.164 175.900 0.054 0.000 1.179 427 Y CA -2.349 55.748 58.100 -0.005 0.000 1.050 427 Y CB 0.642 39.083 38.460 -0.030 0.000 1.308 427 Y HN 0.333 nan 8.280 nan 0.000 0.456 428 W N 3.672 124.855 121.300 -0.196 0.000 2.756 428 W HA 0.815 5.472 4.660 -0.005 0.000 0.333 428 W C -1.543 174.843 176.519 -0.221 0.000 1.025 428 W CA -0.821 56.321 57.345 -0.339 0.000 1.246 428 W CB 2.067 31.347 29.460 -0.300 0.000 1.358 428 W HN 1.083 nan 8.180 nan 0.000 0.444 429 A N 3.292 125.795 122.820 -0.528 0.000 2.269 429 A HA 0.758 5.076 4.320 -0.004 0.000 0.319 429 A C -0.802 176.402 177.584 -0.633 0.000 1.110 429 A CA -0.409 51.257 52.037 -0.618 0.000 0.847 429 A CB 1.720 20.282 19.000 -0.730 0.000 1.161 429 A HN 0.454 nan 8.150 nan 0.000 0.497 430 S N -0.743 114.639 115.700 -0.530 0.000 2.536 430 S HA 0.776 5.244 4.470 -0.004 0.000 0.271 430 S C -1.260 173.163 174.600 -0.295 0.000 1.134 430 S CA -0.476 57.433 58.200 -0.485 0.000 0.897 430 S CB 0.642 63.727 63.200 -0.192 0.000 1.094 430 S HN 0.978 nan 8.310 nan 0.000 0.473 431 Y N 1.639 121.856 120.300 -0.140 0.000 3.097 431 Y HA 0.526 5.074 4.550 -0.004 0.000 0.291 431 Y C 1.029 176.824 175.900 -0.174 0.000 1.799 431 Y CA -0.870 57.109 58.100 -0.201 0.000 1.074 431 Y CB -0.054 38.295 38.460 -0.184 0.000 1.789 431 Y HN 0.479 nan 8.280 nan 0.000 0.446 432 N N 1.042 119.752 118.700 0.017 0.000 2.449 432 N HA 0.034 4.772 4.740 -0.004 0.000 0.191 432 N C -0.570 175.004 175.510 0.107 0.000 1.161 432 N CA 0.706 53.751 53.050 -0.007 0.000 0.863 432 N CB 0.164 38.613 38.487 -0.064 0.000 0.980 432 N HN 0.469 nan 8.380 nan 0.000 0.458 433 I N 2.295 122.996 120.570 0.219 0.000 2.389 433 I HA 0.375 4.543 4.170 -0.004 0.000 0.288 433 I C -2.403 173.900 176.117 0.310 0.000 0.999 433 I CA -2.842 58.672 61.300 0.357 0.000 1.129 433 I CB 1.276 39.610 38.000 0.557 0.000 1.288 433 I HN -0.187 nan 8.210 nan 0.000 0.444 434 P HA -0.026 nan 4.420 nan 0.000 0.266 434 P C 0.281 177.500 177.300 -0.135 0.000 1.195 434 P CA 0.216 63.394 63.100 0.131 0.000 0.768 434 P CB 1.138 32.955 31.700 0.196 0.000 0.838 435 Y N 4.018 124.042 120.300 -0.459 0.000 2.153 435 Y HA 0.047 4.595 4.550 -0.004 0.000 0.289 435 Y C 0.896 176.420 175.900 -0.626 0.000 1.119 435 Y CA 0.700 58.231 58.100 -0.948 0.000 1.116 435 Y CB -0.551 37.509 38.460 -0.667 0.000 1.004 435 Y HN 0.085 nan 8.280 nan 0.000 0.501 436 F N 2.447 122.322 119.950 -0.125 0.000 2.590 436 F HA -0.021 4.503 4.527 -0.004 0.000 0.389 436 F C 1.714 177.411 175.800 -0.172 0.000 1.049 436 F CA 0.435 58.346 58.000 -0.149 0.000 1.199 436 F CB 0.506 39.537 39.000 0.052 0.000 1.058 436 F HN 0.237 nan 8.300 nan 0.000 0.556 437 E N 1.951 122.117 120.200 -0.056 0.000 2.130 437 E HA -0.219 4.129 4.350 -0.004 0.000 0.196 437 E C 1.786 178.441 176.600 0.091 0.000 0.998 437 E CA 2.326 58.699 56.400 -0.045 0.000 0.806 437 E CB 0.005 29.657 29.700 -0.080 0.000 0.738 437 E HN 0.754 nan 8.360 nan 0.000 0.459 438 T N -0.135 114.473 114.554 0.089 0.000 2.643 438 T HA -0.159 4.189 4.350 -0.004 0.000 0.264 438 T C 1.942 176.699 174.700 0.094 0.000 1.045 438 T CA 1.650 63.791 62.100 0.069 0.000 1.155 438 T CB -0.578 68.302 68.868 0.020 0.000 0.863 438 T HN 0.046 nan 8.240 nan 0.000 0.420 439 V N 1.207 121.202 119.914 0.135 0.000 2.324 439 V HA -0.182 3.936 4.120 -0.004 0.000 0.250 439 V C 2.018 178.192 176.094 0.133 0.000 1.060 439 V CA 1.804 64.184 62.300 0.133 0.000 1.042 439 V CB -0.899 31.049 31.823 0.209 0.000 0.650 439 V HN 0.402 nan 8.190 nan 0.000 0.450 440 F N 1.677 121.640 119.950 0.022 0.000 2.069 440 F HA -0.242 4.283 4.527 -0.003 0.000 0.298 440 F C 2.282 178.090 175.800 0.013 0.000 1.113 440 F CA 2.372 60.381 58.000 0.015 0.000 1.214 440 F CB -0.275 38.716 39.000 -0.016 0.000 0.978 440 F HN 0.196 nan 8.300 nan 0.000 0.474 441 N N 0.607 119.398 118.700 0.152 0.000 2.084 441 N HA -0.135 4.603 4.740 -0.004 0.000 0.190 441 N C 1.933 177.414 175.510 -0.048 0.000 1.030 441 N CA 1.649 54.722 53.050 0.038 0.000 0.849 441 N CB -0.945 37.597 38.487 0.090 0.000 1.012 441 N HN 0.398 nan 8.380 nan 0.000 0.423 442 A N 0.417 123.223 122.820 -0.025 0.000 1.933 442 A HA -0.133 4.184 4.320 -0.004 0.000 0.218 442 A C 2.130 179.657 177.584 -0.094 0.000 1.175 442 A CA 2.012 54.017 52.037 -0.053 0.000 0.628 442 A CB -0.845 18.129 19.000 -0.043 0.000 0.814 442 A HN 0.447 nan 8.150 nan 0.000 0.444 443 S N -1.559 114.078 115.700 -0.104 0.000 2.607 443 S HA 0.355 4.823 4.470 -0.004 0.000 0.224 443 S C 1.256 175.751 174.600 -0.175 0.000 0.969 443 S CA 0.926 59.045 58.200 -0.135 0.000 0.927 443 S CB -0.575 62.573 63.200 -0.088 0.000 0.772 443 S HN 1.997 nan 8.310 nan 0.000 0.533 444 G N 0.887 109.570 108.800 -0.195 0.000 2.212 444 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.255 444 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.255 444 G C 0.236 174.975 174.900 -0.268 0.000 1.062 444 G CA 0.345 45.328 45.100 -0.196 0.000 0.815 444 G HN 0.524 nan 8.290 nan 0.000 0.497 445 L N -0.701 120.247 121.223 -0.459 0.000 2.529 445 L HA 0.092 4.429 4.340 -0.004 0.000 0.223 445 L C 2.742 179.349 176.870 -0.439 0.000 1.113 445 L CA 0.410 54.897 54.840 -0.588 0.000 0.861 445 L CB -0.098 41.325 42.059 -1.061 0.000 1.012 445 L HN 0.248 nan 8.230 nan 0.000 0.461 446 Q N 0.076 119.696 119.800 -0.300 0.000 2.124 446 Q HA -0.135 4.203 4.340 -0.004 0.000 0.202 446 Q C 2.404 178.386 176.000 -0.031 0.000 0.977 446 Q CA 1.632 57.423 55.803 -0.019 0.000 0.850 446 Q CB -0.181 28.583 28.738 0.044 0.000 0.901 446 Q HN 0.517 nan 8.270 nan 0.000 0.429 447 A N 0.608 123.370 122.820 -0.097 0.000 1.969 447 A HA -0.096 4.222 4.320 -0.004 0.000 0.218 447 A C 2.172 179.669 177.584 -0.145 0.000 1.169 447 A CA 0.880 52.856 52.037 -0.102 0.000 0.635 447 A CB -0.511 18.425 19.000 -0.107 0.000 0.810 447 A HN 0.301 nan 8.150 nan 0.000 0.445 448 L N -0.798 120.293 121.223 -0.220 0.000 2.179 448 L HA -0.083 4.255 4.340 -0.004 0.000 0.208 448 L C 2.410 179.204 176.870 -0.128 0.000 1.096 448 L CA 0.522 55.138 54.840 -0.375 0.000 0.779 448 L CB -0.441 41.063 42.059 -0.925 0.000 0.922 448 L HN 0.217 nan 8.230 nan 0.000 0.443 449 V N 0.364 120.315 119.914 0.062 0.000 2.307 449 V HA -0.253 3.865 4.120 -0.004 0.000 0.245 449 V C 2.752 178.941 176.094 0.158 0.000 1.045 449 V CA 1.852 64.303 62.300 0.252 0.000 1.024 449 V CB -0.768 31.243 31.823 0.312 0.000 0.651 449 V HN 0.466 nan 8.190 nan 0.000 0.449 450 A N -1.351 121.507 122.820 0.065 0.000 2.019 450 A HA -0.252 4.066 4.320 -0.004 0.000 0.219 450 A C 2.212 179.773 177.584 -0.038 0.000 1.164 450 A CA 1.910 53.960 52.037 0.023 0.000 0.644 450 A CB -0.355 18.645 19.000 -0.001 0.000 0.805 450 A HN 0.595 nan 8.150 nan 0.000 0.449 451 Q N -2.513 117.210 119.800 -0.129 0.000 2.297 451 Q HA 0.038 4.376 4.340 -0.004 0.000 0.203 451 Q C 0.504 176.252 176.000 -0.421 0.000 0.931 451 Q CA 0.769 56.357 55.803 -0.359 0.000 0.885 451 Q CB 0.274 28.651 28.738 -0.602 0.000 0.991 451 Q HN 0.820 nan 8.270 nan 0.000 0.498 452 Y N -1.307 119.087 120.300 0.158 0.000 2.563 452 Y HA 0.317 4.864 4.550 -0.004 0.000 0.250 452 Y C 0.817 176.943 175.900 0.377 0.000 1.126 452 Y CA -0.122 58.169 58.100 0.319 0.000 1.231 452 Y CB 1.505 40.270 38.460 0.507 0.000 1.288 452 Y HN 0.221 nan 8.280 nan 0.000 0.537 453 G N 0.856 109.897 108.800 0.402 0.000 2.593 453 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.237 453 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.237 453 G C 0.041 175.184 174.900 0.405 0.000 1.312 453 G CA 0.134 45.437 45.100 0.338 0.000 0.896 453 G HN 0.214 nan 8.290 nan 0.000 0.574 454 D N -0.346 120.241 120.400 0.311 0.000 2.378 454 D HA 0.023 4.661 4.640 -0.004 0.000 0.227 454 D C 1.597 178.047 176.300 0.251 0.000 1.012 454 D CA 0.882 55.032 54.000 0.250 0.000 0.905 454 D CB -0.125 40.766 40.800 0.152 0.000 0.895 454 D HN 0.436 nan 8.370 nan 0.000 0.532 455 W N -0.343 121.047 121.300 0.150 0.000 2.465 455 W HA -0.107 4.551 4.660 -0.003 0.000 0.268 455 W C 1.034 177.427 176.519 -0.211 0.000 1.242 455 W CA 0.910 58.237 57.345 -0.029 0.000 1.248 455 W CB -0.145 29.305 29.460 -0.016 0.000 1.118 455 W HN -0.113 nan 8.180 nan 0.000 0.587 456 F N -0.961 119.195 119.950 0.343 0.000 2.721 456 F HA 0.214 4.739 4.527 -0.004 0.000 0.301 456 F C 1.637 177.631 175.800 0.323 0.000 1.096 456 F CA 0.222 58.385 58.000 0.271 0.000 1.308 456 F CB -0.663 38.510 39.000 0.289 0.000 1.086 456 F HN -0.416 nan 8.300 nan 0.000 0.587 457 S N -0.355 115.573 115.700 0.380 0.000 2.568 457 S HA -0.099 4.369 4.470 -0.004 0.000 0.282 457 S C 1.095 175.798 174.600 0.170 0.000 1.338 457 S CA -0.339 58.020 58.200 0.266 0.000 1.045 457 S CB 0.463 63.753 63.200 0.149 0.000 0.873 457 S HN 0.426 nan 8.310 nan 0.000 0.516 458 Y N 3.074 123.342 120.300 -0.054 0.000 2.220 458 Y HA -0.022 4.525 4.550 -0.004 0.000 0.291 458 Y C 2.414 178.328 175.900 0.023 0.000 1.129 458 Y CA 1.952 60.047 58.100 -0.008 0.000 1.161 458 Y CB -0.232 38.103 38.460 -0.209 0.000 0.997 458 Y HN 0.824 nan 8.280 nan 0.000 0.522 459 T N -3.502 110.963 114.554 -0.149 0.000 3.069 459 T HA 0.236 4.584 4.350 -0.004 0.000 0.252 459 T C 0.946 175.552 174.700 -0.156 0.000 1.053 459 T CA -0.056 61.919 62.100 -0.208 0.000 0.964 459 T CB 0.116 68.941 68.868 -0.073 0.000 1.005 459 T HN 0.202 nan 8.240 nan 0.000 0.532 460 K N 1.171 121.497 120.400 -0.125 0.000 2.477 460 K HA 0.222 4.540 4.320 -0.004 0.000 0.208 460 K C -0.040 176.500 176.600 -0.100 0.000 1.117 460 K CA -0.336 55.906 56.287 -0.076 0.000 1.039 460 K CB 0.470 32.969 32.500 -0.001 0.000 0.937 460 K HN 0.541 nan 8.250 nan 0.000 0.570 461 N N 0.580 119.154 118.700 -0.210 0.000 2.482 461 N HA 0.042 4.780 4.740 -0.004 0.000 0.260 461 N C -2.175 173.149 175.510 -0.310 0.000 1.236 461 N CA -1.045 51.818 53.050 -0.312 0.000 0.938 461 N CB 0.427 38.601 38.487 -0.522 0.000 1.128 461 N HN -0.336 nan 8.380 nan 0.000 0.448 462 P HA -0.263 nan 4.420 nan 0.000 0.219 462 P C 1.030 178.214 177.300 -0.193 0.000 1.161 462 P CA 1.848 64.866 63.100 -0.137 0.000 0.909 462 P CB 0.099 31.772 31.700 -0.045 0.000 0.793 463 R N -1.105 119.218 120.500 -0.297 0.000 2.092 463 R HA -0.007 4.331 4.340 -0.004 0.000 0.231 463 R C 2.318 178.441 176.300 -0.295 0.000 1.119 463 R CA 1.351 57.279 56.100 -0.286 0.000 0.970 463 R CB -0.920 29.235 30.300 -0.241 0.000 0.864 463 R HN 0.144 nan 8.270 nan 0.000 0.440 464 A N 1.541 124.005 122.820 -0.594 0.000 1.908 464 A HA -0.197 4.121 4.320 -0.004 0.000 0.218 464 A C 1.923 179.415 177.584 -0.153 0.000 1.181 464 A CA 1.398 53.140 52.037 -0.493 0.000 0.627 464 A CB -0.254 18.327 19.000 -0.698 0.000 0.818 464 A HN 0.189 nan 8.150 nan 0.000 0.445 465 K N -0.661 119.640 120.400 -0.164 0.000 2.057 465 K HA -0.009 4.309 4.320 -0.004 0.000 0.206 465 K C 1.843 178.401 176.600 -0.070 0.000 1.050 465 K CA 1.364 57.599 56.287 -0.087 0.000 0.935 465 K CB -0.330 32.126 32.500 -0.073 0.000 0.715 465 K HN 0.552 nan 8.250 nan 0.000 0.439 466 I N 0.254 120.758 120.570 -0.110 0.000 2.226 466 I HA -0.273 3.895 4.170 -0.004 0.000 0.245 466 I C 2.025 178.029 176.117 -0.189 0.000 1.100 466 I CA 1.448 62.661 61.300 -0.145 0.000 1.374 466 I CB -0.315 37.590 38.000 -0.159 0.000 1.057 466 I HN 0.045 nan 8.210 nan 0.000 0.413 467 F N 0.898 120.790 119.950 -0.096 0.000 2.095 467 F HA -0.279 4.246 4.527 -0.003 0.000 0.298 467 F C 2.782 178.456 175.800 -0.210 0.000 1.104 467 F CA 1.462 59.379 58.000 -0.137 0.000 1.232 467 F CB -0.522 38.445 39.000 -0.055 0.000 0.987 467 F HN 0.034 nan 8.300 nan 0.000 0.475 468 Q N -0.177 119.661 119.800 0.063 0.000 2.173 468 Q HA -0.264 4.074 4.340 -0.004 0.000 0.208 468 Q C 1.895 177.862 176.000 -0.054 0.000 0.989 468 Q CA 2.148 57.956 55.803 0.009 0.000 0.872 468 Q CB -0.195 28.556 28.738 0.022 0.000 0.909 468 Q HN 0.460 nan 8.270 nan 0.000 0.420 469 R N -1.341 119.118 120.500 -0.069 0.000 2.365 469 R HA 0.108 4.446 4.340 -0.004 0.000 0.223 469 R C 0.360 176.591 176.300 -0.115 0.000 0.899 469 R CA 0.624 56.677 56.100 -0.079 0.000 1.059 469 R CB 0.521 30.784 30.300 -0.061 0.000 1.086 469 R HN -0.012 nan 8.270 nan 0.000 0.522 470 D N 0.189 120.502 120.400 -0.145 0.000 2.498 470 D HA -0.058 4.580 4.640 -0.004 0.000 0.223 470 D C 1.136 177.343 176.300 -0.155 0.000 1.125 470 D CA 0.450 54.345 54.000 -0.175 0.000 0.835 470 D CB 0.582 41.228 40.800 -0.257 0.000 1.086 470 D HN 0.360 nan 8.370 nan 0.000 0.510 471 Q N 1.233 120.929 119.800 -0.173 0.000 2.224 471 Q HA -0.099 4.239 4.340 -0.004 0.000 0.203 471 Q C 1.688 177.582 176.000 -0.176 0.000 0.970 471 Q CA 1.868 57.552 55.803 -0.197 0.000 0.865 471 Q CB -0.692 27.748 28.738 -0.496 0.000 0.922 471 Q HN 0.102 nan 8.270 nan 0.000 0.445 472 S N 0.185 115.790 115.700 -0.158 0.000 2.453 472 S HA -0.011 4.457 4.470 -0.004 0.000 0.231 472 S C 1.769 176.332 174.600 -0.061 0.000 1.005 472 S CA 0.734 58.878 58.200 -0.094 0.000 0.949 472 S CB -0.502 62.655 63.200 -0.071 0.000 0.774 472 S HN 0.447 nan 8.310 nan 0.000 0.510 473 L N 1.521 122.700 121.223 -0.073 0.000 2.217 473 L HA 0.187 4.525 4.340 -0.004 0.000 0.211 473 L C 1.431 178.278 176.870 -0.038 0.000 1.107 473 L CA 0.268 55.072 54.840 -0.059 0.000 0.783 473 L CB -0.529 41.479 42.059 -0.084 0.000 0.919 473 L HN 0.343 nan 8.230 nan 0.000 0.442 474 V N 1.834 121.729 119.914 -0.032 0.000 2.409 474 V HA -0.038 4.080 4.120 -0.004 0.000 0.270 474 V C 1.097 177.197 176.094 0.010 0.000 1.019 474 V CA 0.337 62.634 62.300 -0.005 0.000 1.066 474 V CB 0.204 32.035 31.823 0.013 0.000 1.021 474 V HN 0.576 nan 8.190 nan 0.000 0.476 475 E N 3.406 123.616 120.200 0.017 0.000 2.485 475 E HA 0.256 4.604 4.350 -0.004 0.000 0.213 475 E C -0.157 176.470 176.600 0.045 0.000 0.923 475 E CA 0.152 56.572 56.400 0.034 0.000 1.054 475 E CB 0.504 30.222 29.700 0.029 0.000 1.077 475 E HN 0.835 nan 8.360 nan 0.000 0.509 476 D N -1.076 119.345 120.400 0.036 0.000 2.825 476 D HA 0.164 4.802 4.640 -0.004 0.000 0.327 476 D C 0.907 177.230 176.300 0.038 0.000 1.277 476 D CA -0.781 53.243 54.000 0.040 0.000 0.950 476 D CB 0.205 41.025 40.800 0.033 0.000 1.438 476 D HN -0.256 nan 8.370 nan 0.000 0.526 477 M N 0.213 119.837 119.600 0.040 0.000 2.065 477 M HA -0.078 4.400 4.480 -0.004 0.000 0.259 477 M C 0.783 177.102 176.300 0.032 0.000 1.069 477 M CA 1.676 57.001 55.300 0.041 0.000 1.110 477 M CB -1.120 31.506 32.600 0.042 0.000 1.328 477 M HN 0.457 nan 8.290 nan 0.000 0.405 478 D N 0.637 121.052 120.400 0.025 0.000 2.117 478 D HA -0.051 4.587 4.640 -0.004 0.000 0.197 478 D C 2.046 178.350 176.300 0.007 0.000 0.987 478 D CA 1.627 55.636 54.000 0.016 0.000 0.829 478 D CB -0.271 40.536 40.800 0.012 0.000 0.961 478 D HN 0.356 nan 8.370 nan 0.000 0.460 479 A N 0.619 123.443 122.820 0.007 0.000 1.933 479 A HA -0.177 4.141 4.320 -0.004 0.000 0.218 479 A C 2.134 179.720 177.584 0.004 0.000 1.175 479 A CA 1.705 53.740 52.037 -0.003 0.000 0.628 479 A CB -0.475 18.524 19.000 -0.002 0.000 0.814 479 A HN 0.188 nan 8.150 nan 0.000 0.444 480 M N -0.212 119.401 119.600 0.023 0.000 2.099 480 M HA -0.059 4.419 4.480 -0.004 0.000 0.262 480 M C 1.888 178.212 176.300 0.040 0.000 1.067 480 M CA 1.820 57.144 55.300 0.040 0.000 1.124 480 M CB -0.585 32.047 32.600 0.053 0.000 1.353 480 M HN 0.095 nan 8.290 nan 0.000 0.410 481 V N 0.446 120.378 119.914 0.030 0.000 2.287 481 V HA -0.307 3.811 4.120 -0.004 0.000 0.248 481 V C 2.573 178.676 176.094 0.014 0.000 1.053 481 V CA 2.396 64.712 62.300 0.026 0.000 1.027 481 V CB -0.987 30.849 31.823 0.022 0.000 0.646 481 V HN 0.562 nan 8.190 nan 0.000 0.447 482 R N -0.500 119.998 120.500 -0.003 0.000 2.105 482 R HA -0.204 4.134 4.340 -0.004 0.000 0.239 482 R C 2.252 178.563 176.300 0.017 0.000 1.135 482 R CA 1.912 58.005 56.100 -0.013 0.000 0.967 482 R CB -0.297 29.984 30.300 -0.032 0.000 0.861 482 R HN 0.465 nan 8.270 nan 0.000 0.442 483 L N 0.168 121.396 121.223 0.009 0.000 2.044 483 L HA -0.084 4.253 4.340 -0.004 0.000 0.205 483 L C 2.031 178.942 176.870 0.068 0.000 1.075 483 L CA 1.625 56.470 54.840 0.008 0.000 0.747 483 L CB -0.255 41.796 42.059 -0.012 0.000 0.903 483 L HN 0.169 nan 8.230 nan 0.000 0.435 484 M N -0.880 118.769 119.600 0.081 0.000 2.374 484 M HA -0.066 4.412 4.480 -0.004 0.000 0.264 484 M C 1.892 178.246 176.300 0.090 0.000 1.067 484 M CA 1.114 56.478 55.300 0.106 0.000 1.103 484 M CB -1.054 31.608 32.600 0.102 0.000 1.402 484 M HN 0.222 nan 8.290 nan 0.000 0.444 485 R N -1.024 119.515 120.500 0.064 0.000 2.312 485 R HA 0.083 4.420 4.340 -0.004 0.000 0.205 485 R C -0.130 176.189 176.300 0.032 0.000 0.904 485 R CA -0.151 55.966 56.100 0.028 0.000 1.052 485 R CB -0.348 29.937 30.300 -0.024 0.000 1.014 485 R HN 0.259 nan 8.270 nan 0.000 0.503 486 Y N 2.196 122.461 120.300 -0.057 0.000 2.632 486 Y HA 0.021 4.569 4.550 -0.003 0.000 0.329 486 Y C -0.361 175.512 175.900 -0.045 0.000 1.174 486 Y CA -0.053 58.009 58.100 -0.064 0.000 1.469 486 Y CB 0.196 38.604 38.460 -0.086 0.000 1.242 486 Y HN -0.098 nan 8.280 nan 0.000 0.540 487 N N 4.973 123.266 118.700 -0.679 0.000 2.752 487 N HA 0.105 4.842 4.740 -0.004 0.000 0.268 487 N C -2.253 172.991 175.510 -0.443 0.000 1.190 487 N CA -0.476 52.218 53.050 -0.594 0.000 0.897 487 N CB 0.936 39.276 38.487 -0.244 0.000 1.515 487 N HN 0.745 nan 8.380 nan 0.000 0.567 488 D N 3.169 123.260 120.400 -0.515 0.000 2.879 488 D HA 0.144 4.782 4.640 -0.004 0.000 0.351 488 D C 1.012 177.215 176.300 -0.162 0.000 1.239 488 D CA -0.528 53.344 54.000 -0.215 0.000 0.771 488 D CB -0.386 40.387 40.800 -0.045 0.000 1.176 488 D HN 0.387 nan 8.370 nan 0.000 0.496 489 F N -0.316 119.502 119.950 -0.220 0.000 2.269 489 F HA 0.043 4.567 4.527 -0.004 0.000 0.301 489 F C 1.216 176.917 175.800 -0.165 0.000 1.082 489 F CA 0.572 58.475 58.000 -0.163 0.000 1.360 489 F CB -0.662 38.253 39.000 -0.140 0.000 1.041 489 F HN 0.111 nan 8.300 nan 0.000 0.512 490 L N -0.369 120.237 121.223 -1.027 0.000 2.217 490 L HA -0.111 4.227 4.340 -0.004 0.000 0.211 490 L C 1.956 178.437 176.870 -0.648 0.000 1.107 490 L CA 1.038 55.308 54.840 -0.951 0.000 0.783 490 L CB -0.596 40.694 42.059 -1.282 0.000 0.919 490 L HN 0.305 nan 8.230 nan 0.000 0.442 491 H N -3.046 115.923 119.070 -0.168 0.000 3.170 491 H HA 0.221 4.775 4.556 -0.004 0.000 0.264 491 H C -0.229 175.086 175.328 -0.021 0.000 1.113 491 H CA -0.279 55.721 56.048 -0.079 0.000 1.194 491 H CB 0.502 30.223 29.762 -0.070 0.000 1.553 491 H HN 0.073 nan 8.280 nan 0.000 0.538 492 D N 3.194 123.636 120.400 0.071 0.000 2.317 492 D HA 0.106 4.744 4.640 -0.004 0.000 0.234 492 D C -1.431 174.909 176.300 0.066 0.000 1.112 492 D CA -2.313 51.744 54.000 0.095 0.000 0.840 492 D CB 2.125 43.008 40.800 0.138 0.000 1.078 492 D HN 0.005 nan 8.370 nan 0.000 0.486 493 P HA -0.119 nan 4.420 nan 0.000 0.220 493 P C 1.330 178.662 177.300 0.053 0.000 1.144 493 P CA 0.740 63.869 63.100 0.049 0.000 0.800 493 P CB 0.387 32.110 31.700 0.039 0.000 0.772 494 L N -1.128 120.129 121.223 0.057 0.000 2.591 494 L HA 0.087 4.424 4.340 -0.004 0.000 0.228 494 L C 1.612 178.523 176.870 0.068 0.000 1.133 494 L CA 0.525 55.397 54.840 0.052 0.000 0.880 494 L CB -0.435 41.645 42.059 0.035 0.000 1.033 494 L HN -0.085 nan 8.230 nan 0.000 0.450 495 S N -0.205 115.543 115.700 0.080 0.000 2.540 495 S HA 0.263 4.730 4.470 -0.004 0.000 0.218 495 S C 0.631 175.301 174.600 0.116 0.000 0.977 495 S CA -0.287 57.975 58.200 0.105 0.000 0.918 495 S CB 0.110 63.386 63.200 0.126 0.000 0.806 495 S HN 0.171 nan 8.310 nan 0.000 0.496 496 L N 1.890 123.170 121.223 0.094 0.000 2.360 496 L HA 0.262 4.600 4.340 -0.004 0.000 0.276 496 L C 0.129 177.055 176.870 0.093 0.000 1.121 496 L CA -0.415 54.475 54.840 0.083 0.000 0.845 496 L CB 0.590 42.687 42.059 0.062 0.000 1.143 496 L HN 0.236 nan 8.230 nan 0.000 0.452 497 C N 4.688 124.035 119.300 0.078 0.000 2.264 497 C HA 0.290 4.748 4.460 -0.004 0.000 0.324 497 C C 1.479 176.492 174.990 0.038 0.000 1.267 497 C CA -0.637 58.417 59.018 0.060 0.000 1.618 497 C CB 0.138 27.888 27.740 0.017 0.000 2.278 497 C HN 0.869 nan 8.230 nan 0.000 0.499 498 E N 3.401 123.632 120.200 0.052 0.000 2.158 498 E HA -0.049 4.299 4.350 -0.004 0.000 0.191 498 E C 1.955 178.570 176.600 0.025 0.000 0.982 498 E CA 1.198 57.624 56.400 0.043 0.000 0.823 498 E CB -0.180 29.557 29.700 0.061 0.000 0.766 498 E HN 0.867 nan 8.360 nan 0.000 0.468 499 A N 0.459 123.294 122.820 0.026 0.000 2.238 499 A HA 0.060 4.378 4.320 -0.004 0.000 0.208 499 A C 1.041 178.595 177.584 -0.050 0.000 1.177 499 A CA -0.050 51.993 52.037 0.010 0.000 0.804 499 A CB -0.250 18.782 19.000 0.053 0.000 0.823 499 A HN 0.164 nan 8.150 nan 0.000 0.482 500 C N -0.962 118.302 119.300 -0.060 0.000 2.423 500 C HA 0.720 5.178 4.460 -0.004 0.000 0.378 500 C C 0.172 175.084 174.990 -0.130 0.000 1.244 500 C CA -0.591 58.359 59.018 -0.113 0.000 1.978 500 C CB 1.153 28.869 27.740 -0.039 0.000 2.252 500 C HN 0.600 nan 8.230 nan 0.000 0.526 501 N N 1.033 119.599 118.700 -0.223 0.000 2.747 501 N HA 0.360 5.098 4.740 -0.004 0.000 0.262 501 N C -2.885 172.487 175.510 -0.230 0.000 1.261 501 N CA -0.707 52.233 53.050 -0.184 0.000 0.809 501 N CB 1.286 39.668 38.487 -0.175 0.000 1.450 501 N HN 0.397 nan 8.380 nan 0.000 0.560 502 P HA 0.176 nan 4.420 nan 0.000 0.272 502 P C 0.288 177.583 177.300 -0.009 0.000 1.240 502 P CA -0.217 62.859 63.100 -0.039 0.000 0.791 502 P CB 1.682 33.386 31.700 0.006 0.000 0.978 503 K N 0.190 120.594 120.400 0.006 0.000 2.025 503 K HA 0.003 4.321 4.320 -0.004 0.000 0.207 503 K C -1.415 175.225 176.600 0.066 0.000 1.049 503 K CA 0.974 57.276 56.287 0.025 0.000 0.933 503 K CB -1.591 30.922 32.500 0.020 0.000 0.714 503 K HN 0.538 nan 8.250 nan 0.000 0.438 504 P HA 0.004 nan 4.420 nan 0.000 0.271 504 P C -0.942 176.501 177.300 0.238 0.000 1.216 504 P CA 0.247 63.437 63.100 0.150 0.000 0.771 504 P CB 0.517 32.278 31.700 0.101 0.000 0.864 505 N N 1.602 120.430 118.700 0.213 0.000 2.249 505 N HA 0.337 5.075 4.740 -0.004 0.000 0.296 505 N C 0.334 175.740 175.510 -0.173 0.000 1.051 505 N CA -0.527 52.549 53.050 0.044 0.000 0.815 505 N CB 2.037 40.527 38.487 0.005 0.000 1.487 505 N HN 0.203 nan 8.380 nan 0.000 0.475 506 A N 2.307 124.717 122.820 -0.684 0.000 2.168 506 A HA -0.061 4.257 4.320 -0.004 0.000 0.215 506 A C 1.609 178.895 177.584 -0.496 0.000 1.152 506 A CA 1.032 52.438 52.037 -1.052 0.000 0.716 506 A CB -0.134 18.018 19.000 -1.414 0.000 0.794 506 A HN 0.774 nan 8.150 nan 0.000 0.465 507 E N 1.166 121.194 120.200 -0.287 0.000 2.158 507 E HA -0.062 4.286 4.350 -0.004 0.000 0.191 507 E C 0.224 176.859 176.600 0.059 0.000 0.982 507 E CA 0.656 56.984 56.400 -0.121 0.000 0.823 507 E CB -0.122 29.603 29.700 0.041 0.000 0.766 507 E HN 0.463 nan 8.360 nan 0.000 0.468 508 N N 1.015 119.762 118.700 0.079 0.000 3.243 508 N HA 0.215 4.953 4.740 -0.004 0.000 0.310 508 N C -1.008 174.529 175.510 0.046 0.000 1.313 508 N CA 0.497 53.626 53.050 0.132 0.000 1.204 508 N CB 0.508 39.097 38.487 0.170 0.000 1.483 508 N HN 0.163 nan 8.380 nan 0.000 0.553 509 A N -0.505 122.334 122.820 0.032 0.000 2.564 509 A HA 0.546 4.864 4.320 -0.004 0.000 0.288 509 A C 0.918 178.566 177.584 0.106 0.000 1.164 509 A CA -0.663 51.354 52.037 -0.033 0.000 0.712 509 A CB 0.671 19.571 19.000 -0.166 0.000 1.303 509 A HN 0.160 nan 8.150 nan 0.000 0.418 510 I N -0.127 120.468 120.570 0.041 0.000 2.286 510 I HA -0.059 4.109 4.170 -0.004 0.000 0.245 510 I C 1.202 177.533 176.117 0.357 0.000 1.104 510 I CA 1.454 62.833 61.300 0.133 0.000 1.397 510 I CB 0.250 38.200 38.000 -0.083 0.000 1.072 510 I HN 0.456 nan 8.210 nan 0.000 0.417 511 S N 1.278 117.042 115.700 0.107 0.000 2.475 511 S HA 0.595 5.063 4.470 -0.004 0.000 0.249 511 S C 0.094 174.475 174.600 -0.366 0.000 1.298 511 S CA -0.824 57.362 58.200 -0.023 0.000 1.125 511 S CB 0.003 63.187 63.200 -0.027 0.000 1.054 511 S HN 0.242 nan 8.310 nan 0.000 0.484 512 A N 3.214 125.483 122.820 -0.919 0.000 2.547 512 A HA 0.441 4.759 4.320 -0.004 0.000 0.233 512 A C 0.660 177.856 177.584 -0.646 0.000 1.067 512 A CA 0.123 51.548 52.037 -1.021 0.000 0.763 512 A CB 0.156 18.035 19.000 -1.867 0.000 1.007 512 A HN 0.757 nan 8.150 nan 0.000 0.506 513 R N 0.985 121.185 120.500 -0.500 0.000 2.593 513 R HA 0.293 4.631 4.340 -0.004 0.000 0.258 513 R C 0.645 176.747 176.300 -0.330 0.000 1.410 513 R CA 0.397 56.298 56.100 -0.333 0.000 1.537 513 R CB -0.599 29.546 30.300 -0.259 0.000 1.362 513 R HN 0.678 nan 8.270 nan 0.000 0.734 514 S N 0.277 115.779 115.700 -0.329 0.000 2.402 514 S HA -0.194 4.274 4.470 -0.004 0.000 0.233 514 S C 1.274 175.782 174.600 -0.152 0.000 1.030 514 S CA 1.711 59.743 58.200 -0.282 0.000 1.003 514 S CB -0.130 62.915 63.200 -0.259 0.000 0.813 514 S HN 0.739 nan 8.310 nan 0.000 0.477 515 D N 1.536 121.919 120.400 -0.029 0.000 2.263 515 D HA -0.131 4.507 4.640 -0.004 0.000 0.208 515 D C 1.338 177.721 176.300 0.139 0.000 0.971 515 D CA 0.739 54.880 54.000 0.236 0.000 0.867 515 D CB -0.372 40.727 40.800 0.498 0.000 0.929 515 D HN 0.395 nan 8.370 nan 0.000 0.492 516 L N 0.042 121.268 121.223 0.006 0.000 2.612 516 L HA 0.110 4.448 4.340 -0.004 0.000 0.230 516 L C 0.280 177.146 176.870 -0.007 0.000 1.140 516 L CA -0.212 54.642 54.840 0.024 0.000 0.896 516 L CB -0.460 41.641 42.059 0.070 0.000 1.065 516 L HN -0.141 nan 8.230 nan 0.000 0.447 517 N N 1.562 120.220 118.700 -0.071 0.000 2.499 517 N HA 0.246 4.984 4.740 -0.004 0.000 0.281 517 N C -2.341 173.211 175.510 0.070 0.000 1.098 517 N CA -1.616 51.424 53.050 -0.015 0.000 0.979 517 N CB 0.873 39.266 38.487 -0.157 0.000 1.121 517 N HN -0.107 nan 8.380 nan 0.000 0.466 518 P HA 0.029 nan 4.420 nan 0.000 0.267 518 P C -0.005 177.363 177.300 0.114 0.000 1.205 518 P CA -0.104 63.052 63.100 0.093 0.000 0.765 518 P CB 0.599 32.339 31.700 0.066 0.000 0.828 519 A N 3.794 126.646 122.820 0.053 0.000 2.178 519 A HA -0.144 4.173 4.320 -0.004 0.000 0.218 519 A C 1.242 178.849 177.584 0.039 0.000 1.157 519 A CA 1.046 53.114 52.037 0.050 0.000 0.689 519 A CB -0.896 18.106 19.000 0.002 0.000 0.787 519 A HN 0.709 nan 8.150 nan 0.000 0.465 520 N N -0.334 118.371 118.700 0.009 0.000 2.338 520 N HA 0.186 4.924 4.740 -0.004 0.000 0.251 520 N C 0.405 175.838 175.510 -0.128 0.000 1.199 520 N CA 0.460 53.483 53.050 -0.045 0.000 0.879 520 N CB -0.138 38.325 38.487 -0.040 0.000 1.159 520 N HN 0.146 nan 8.380 nan 0.000 0.514 521 G N -0.267 108.416 108.800 -0.195 0.000 2.528 521 G HA2 0.322 4.280 3.960 -0.004 0.000 0.289 521 G HA3 0.322 4.280 3.960 -0.004 0.000 0.289 521 G C -0.908 173.484 174.900 -0.847 0.000 1.192 521 G CA -0.481 44.272 45.100 -0.578 0.000 0.921 521 G HN 0.175 nan 8.290 nan 0.000 0.512 522 S N -0.070 115.108 115.700 -0.870 0.000 2.423 522 S HA 0.595 5.063 4.470 -0.004 0.000 0.317 522 S C -1.297 172.853 174.600 -0.750 0.000 1.065 522 S CA -0.658 57.167 58.200 -0.625 0.000 1.111 522 S CB -0.314 62.691 63.200 -0.325 0.000 0.968 522 S HN 0.348 nan 8.310 nan 0.000 0.474 523 Y N 4.090 124.238 120.300 -0.254 0.000 2.446 523 Y HA 0.437 4.985 4.550 -0.004 0.000 0.345 523 Y C -1.674 174.103 175.900 -0.205 0.000 0.984 523 Y CA -2.195 55.732 58.100 -0.288 0.000 1.058 523 Y CB 0.866 39.115 38.460 -0.352 0.000 1.220 523 Y HN 0.421 nan 8.280 nan 0.000 0.455 524 P HA -0.012 nan 4.420 nan 0.000 0.222 524 P C -0.865 176.425 177.300 -0.017 0.000 1.153 524 P CA 1.091 64.135 63.100 -0.094 0.000 0.798 524 P CB 0.243 31.868 31.700 -0.126 0.000 0.796 525 F N -5.219 114.699 119.950 -0.054 0.000 2.668 525 F HA 0.484 5.009 4.527 -0.003 0.000 0.309 525 F C 1.132 176.841 175.800 -0.151 0.000 1.117 525 F CA -1.202 56.715 58.000 -0.139 0.000 0.951 525 F CB 0.165 38.965 39.000 -0.334 0.000 1.323 525 F HN -0.505 nan 8.300 nan 0.000 0.451 526 Q N 1.365 121.104 119.800 -0.101 0.000 2.133 526 Q HA -0.209 4.128 4.340 -0.004 0.000 0.208 526 Q C 2.192 178.073 176.000 -0.198 0.000 0.991 526 Q CA 2.379 57.919 55.803 -0.438 0.000 0.867 526 Q CB -0.607 27.952 28.738 -0.298 0.000 0.911 526 Q HN 0.943 nan 8.270 nan 0.000 0.417 527 A N 0.141 122.975 122.820 0.024 0.000 2.084 527 A HA -0.145 4.173 4.320 -0.004 0.000 0.221 527 A C 1.939 179.481 177.584 -0.069 0.000 1.161 527 A CA 1.138 53.209 52.037 0.056 0.000 0.653 527 A CB -0.419 18.742 19.000 0.268 0.000 0.802 527 A HN 0.371 nan 8.150 nan 0.000 0.457 528 L N -1.576 119.502 121.223 -0.241 0.000 2.616 528 L HA 0.155 4.493 4.340 -0.004 0.000 0.229 528 L C 0.729 177.123 176.870 -0.794 0.000 1.110 528 L CA -0.433 54.135 54.840 -0.454 0.000 0.884 528 L CB -0.307 41.395 42.059 -0.595 0.000 1.115 528 L HN 0.414 nan 8.230 nan 0.000 0.481 529 H N 1.333 119.970 119.070 -0.721 0.000 2.730 529 H HA 0.034 4.588 4.556 -0.004 0.000 0.376 529 H C 0.192 175.235 175.328 -0.475 0.000 1.299 529 H CA -0.379 55.257 56.048 -0.686 0.000 1.447 529 H CB 0.648 30.269 29.762 -0.234 0.000 1.493 529 H HN 0.168 nan 8.280 nan 0.000 0.619 530 Q N 1.760 121.465 119.800 -0.159 0.000 2.297 530 Q HA 0.300 4.638 4.340 -0.004 0.000 0.267 530 Q C -0.853 175.199 176.000 0.087 0.000 1.006 530 Q CA -0.076 55.715 55.803 -0.019 0.000 0.896 530 Q CB 0.766 29.549 28.738 0.074 0.000 1.186 530 Q HN 0.478 nan 8.270 nan 0.000 0.392 531 R N 2.174 122.684 120.500 0.017 0.000 2.707 531 R HA 0.530 4.868 4.340 -0.004 0.000 0.272 531 R C -1.025 174.956 176.300 -0.532 0.000 1.011 531 R CA -0.683 55.315 56.100 -0.170 0.000 0.893 531 R CB 1.696 31.866 30.300 -0.216 0.000 1.233 531 R HN 0.755 nan 8.270 nan 0.000 0.464 532 A N 2.269 124.446 122.820 -1.072 0.000 2.958 532 A HA 0.064 4.382 4.320 -0.004 0.000 0.247 532 A C -0.297 176.503 177.584 -1.306 0.000 1.679 532 A CA 0.462 51.707 52.037 -1.320 0.000 1.345 532 A CB -0.755 17.535 19.000 -1.182 0.000 1.013 532 A HN 0.584 nan 8.150 nan 0.000 0.641 533 H N -0.832 117.415 119.070 -1.371 0.000 2.980 533 H HA 0.639 5.193 4.556 -0.004 0.000 0.367 533 H C 0.045 174.806 175.328 -0.944 0.000 1.206 533 H CA 0.530 55.937 56.048 -1.069 0.000 1.126 533 H CB 2.232 31.677 29.762 -0.529 0.000 1.838 533 H HN 0.783 nan 8.280 nan 0.000 0.552 534 G N 0.063 108.249 108.800 -1.024 0.000 2.362 534 G HA2 0.216 4.174 3.960 -0.004 0.000 0.288 534 G HA3 0.216 4.174 3.960 -0.004 0.000 0.288 534 G C -0.596 173.915 174.900 -0.648 0.000 1.305 534 G CA -0.384 44.264 45.100 -0.754 0.000 0.910 534 G HN 0.724 nan 8.290 nan 0.000 0.518 535 G N -0.717 107.633 108.800 -0.750 0.000 2.305 535 G HA2 0.555 4.513 3.960 -0.004 0.000 0.243 535 G HA3 0.555 4.513 3.960 -0.004 0.000 0.243 535 G C 1.053 175.845 174.900 -0.180 0.000 1.288 535 G CA 0.512 45.402 45.100 -0.350 0.000 0.901 535 G HN 1.643 nan 8.290 nan 0.000 0.516 536 I N -1.386 119.135 120.570 -0.082 0.000 4.338 536 I HA 0.415 4.582 4.170 -0.004 0.000 0.329 536 I C -0.475 175.586 176.117 -0.092 0.000 1.378 536 I CA -0.536 60.674 61.300 -0.151 0.000 1.170 536 I CB 0.729 38.637 38.000 -0.153 0.000 1.206 536 I HN 0.418 nan 8.210 nan 0.000 0.432 537 D N -0.136 120.283 120.400 0.032 0.000 2.671 537 D HA 0.543 5.181 4.640 -0.004 0.000 0.273 537 D C -1.184 175.205 176.300 0.150 0.000 1.264 537 D CA -0.631 53.441 54.000 0.119 0.000 0.788 537 D CB 2.287 43.209 40.800 0.203 0.000 1.324 537 D HN -0.140 nan 8.370 nan 0.000 0.424 538 V N -0.063 119.958 119.914 0.180 0.000 2.668 538 V HA 0.576 4.694 4.120 -0.004 0.000 0.304 538 V C -0.946 175.160 176.094 0.021 0.000 1.071 538 V CA -0.771 61.583 62.300 0.091 0.000 0.894 538 V CB 1.819 33.689 31.823 0.078 0.000 1.008 538 V HN 0.542 nan 8.190 nan 0.000 0.425 539 K N 3.440 123.731 120.400 -0.181 0.000 2.345 539 K HA 0.869 5.187 4.320 -0.004 0.000 0.255 539 K C -1.333 174.980 176.600 -0.479 0.000 0.934 539 K CA -0.586 55.435 56.287 -0.442 0.000 0.801 539 K CB 2.622 34.584 32.500 -0.896 0.000 1.137 539 K HN 0.424 nan 8.250 nan 0.000 0.424 540 V N 0.916 120.702 119.914 -0.213 0.000 2.876 540 V HA 0.650 4.768 4.120 -0.004 0.000 0.312 540 V C -0.594 175.572 176.094 0.120 0.000 1.085 540 V CA -0.763 61.525 62.300 -0.019 0.000 0.945 540 V CB 2.167 34.003 31.823 0.021 0.000 1.017 540 V HN 0.853 nan 8.190 nan 0.000 0.428 541 T N 1.571 116.261 114.554 0.226 0.000 2.894 541 T HA 0.686 5.034 4.350 -0.004 0.000 0.309 541 T C -0.411 174.389 174.700 0.167 0.000 1.208 541 T CA 0.199 62.423 62.100 0.208 0.000 1.016 541 T CB 1.915 70.955 68.868 0.288 0.000 1.192 541 T HN 1.137 nan 8.240 nan 0.000 0.491 542 S N 2.422 118.162 115.700 0.066 0.000 2.801 542 S HA 0.606 5.073 4.470 -0.004 0.000 0.312 542 S C 0.863 175.304 174.600 -0.266 0.000 1.112 542 S CA -0.700 57.511 58.200 0.017 0.000 0.943 542 S CB 0.614 63.833 63.200 0.032 0.000 1.269 542 S HN 0.636 nan 8.310 nan 0.000 0.558 543 F N 2.235 121.897 119.950 -0.480 0.000 2.060 543 F HA -0.043 4.482 4.527 -0.002 0.000 0.295 543 F C 2.789 178.282 175.800 -0.511 0.000 1.120 543 F CA 2.579 60.091 58.000 -0.812 0.000 1.205 543 F CB -1.166 37.669 39.000 -0.275 0.000 0.986 543 F HN 0.797 nan 8.300 nan 0.000 0.470 544 T N -0.601 113.797 114.554 -0.261 0.000 2.788 544 T HA -0.185 4.163 4.350 -0.004 0.000 0.268 544 T C 2.202 176.729 174.700 -0.289 0.000 1.044 544 T CA 1.643 63.558 62.100 -0.309 0.000 1.139 544 T CB -1.003 67.847 68.868 -0.030 0.000 0.867 544 T HN 0.385 nan 8.240 nan 0.000 0.454 545 L N 0.605 121.728 121.223 -0.168 0.000 2.141 545 L HA 0.088 4.426 4.340 -0.004 0.000 0.209 545 L C 3.243 180.036 176.870 -0.128 0.000 1.094 545 L CA 1.090 55.886 54.840 -0.073 0.000 0.763 545 L CB -0.680 41.372 42.059 -0.011 0.000 0.908 545 L HN 0.406 nan 8.230 nan 0.000 0.437 546 A N -0.083 122.573 122.820 -0.273 0.000 1.897 546 A HA -0.213 4.105 4.320 -0.004 0.000 0.215 546 A C 2.337 179.741 177.584 -0.301 0.000 1.181 546 A CA 1.381 53.274 52.037 -0.240 0.000 0.620 546 A CB -0.355 18.479 19.000 -0.276 0.000 0.821 546 A HN 0.255 nan 8.150 nan 0.000 0.443 547 K N -1.703 118.370 120.400 -0.545 0.000 2.218 547 K HA -0.186 4.132 4.320 -0.004 0.000 0.205 547 K C 0.131 176.436 176.600 -0.492 0.000 1.046 547 K CA 1.473 57.386 56.287 -0.623 0.000 0.933 547 K CB -0.199 31.732 32.500 -0.948 0.000 0.728 547 K HN 0.552 nan 8.250 nan 0.000 0.454 548 Y N 0.027 120.222 120.300 -0.175 0.000 2.720 548 Y HA 0.262 4.811 4.550 -0.003 0.000 0.277 548 Y C -0.235 175.597 175.900 -0.113 0.000 1.144 548 Y CA -0.572 57.452 58.100 -0.127 0.000 1.221 548 Y CB 0.291 38.682 38.460 -0.115 0.000 1.163 548 Y HN -0.032 nan 8.280 nan 0.000 0.537 549 M N -0.181 119.423 119.600 0.008 0.000 2.253 549 M HA -0.248 4.229 4.480 -0.004 0.000 0.199 549 M C -0.430 175.862 176.300 -0.012 0.000 0.342 549 M CA 0.837 56.133 55.300 -0.008 0.000 0.417 549 M CB -2.468 30.123 32.600 -0.016 0.000 1.338 549 M HN 0.202 nan 8.290 nan 0.000 0.920 550 S N 0.230 115.933 115.700 0.005 0.000 2.599 550 S HA 0.964 5.432 4.470 -0.004 0.000 0.294 550 S C -0.016 174.609 174.600 0.042 0.000 1.094 550 S CA -0.931 57.274 58.200 0.007 0.000 0.931 550 S CB 3.000 66.207 63.200 0.010 0.000 1.093 550 S HN 0.549 nan 8.310 nan 0.000 0.488 551 M N 0.395 120.018 119.600 0.039 0.000 2.721 551 M HA 0.634 5.112 4.480 -0.004 0.000 0.271 551 M C -2.202 174.103 176.300 0.009 0.000 1.259 551 M CA -0.922 54.416 55.300 0.064 0.000 0.835 551 M CB 1.129 33.805 32.600 0.127 0.000 1.689 551 M HN 0.388 nan 8.290 nan 0.000 0.470 552 L N 1.865 123.089 121.223 0.002 0.000 2.295 552 L HA 0.917 5.255 4.340 -0.004 0.000 0.285 552 L C -0.508 176.325 176.870 -0.062 0.000 1.035 552 L CA -0.771 54.063 54.840 -0.011 0.000 0.806 552 L CB 1.734 43.806 42.059 0.023 0.000 1.214 552 L HN 0.940 nan 8.230 nan 0.000 0.426 553 A N 2.954 125.731 122.820 -0.072 0.000 2.359 553 A HA 0.842 5.160 4.320 -0.004 0.000 0.303 553 A C -0.787 176.989 177.584 0.319 0.000 1.066 553 A CA -0.460 51.518 52.037 -0.100 0.000 0.730 553 A CB 1.655 20.206 19.000 -0.749 0.000 1.211 553 A HN 0.723 nan 8.150 nan 0.000 0.439 554 A N 1.654 124.768 122.820 0.491 0.000 2.304 554 A HA 0.742 5.060 4.320 -0.004 0.000 0.314 554 A C 0.045 177.941 177.584 0.519 0.000 1.187 554 A CA -0.285 52.076 52.037 0.540 0.000 0.810 554 A CB 0.997 20.182 19.000 0.309 0.000 1.183 554 A HN 1.299 nan 8.150 nan 0.000 0.487 555 S N 1.971 117.812 115.700 0.234 0.000 2.508 555 S HA 0.752 5.220 4.470 -0.004 0.000 0.284 555 S C 0.367 175.038 174.600 0.118 0.000 1.192 555 S CA 0.772 58.772 58.200 -0.334 0.000 1.070 555 S CB 0.567 63.006 63.200 -1.269 0.000 1.004 555 S HN 2.602 nan 8.310 nan 0.000 0.493 556 G N 4.517 113.279 108.800 -0.063 0.000 2.612 556 G HA2 -0.043 3.915 3.960 -0.004 0.000 0.686 556 G HA3 -0.043 3.915 3.960 -0.004 0.000 0.686 556 G C -3.505 171.302 174.900 -0.154 0.000 1.274 556 G CA -1.075 43.935 45.100 -0.150 0.000 0.849 556 G HN 0.640 nan 8.290 nan 0.000 0.595 557 P HA 0.367 nan 4.420 nan 0.000 0.270 557 P C 0.581 177.881 177.300 0.001 0.000 1.223 557 P CA 0.160 63.077 63.100 -0.305 0.000 0.785 557 P CB 0.639 31.937 31.700 -0.670 0.000 0.923 558 T N 2.147 116.690 114.554 -0.019 0.000 2.916 558 T HA 0.184 4.532 4.350 -0.004 0.000 0.303 558 T C 0.128 174.931 174.700 0.171 0.000 1.025 558 T CA -0.153 61.972 62.100 0.042 0.000 1.142 558 T CB -0.226 68.613 68.868 -0.050 0.000 0.947 558 T HN 0.563 nan 8.240 nan 0.000 0.544 559 W N 3.938 125.238 121.300 0.001 0.000 2.036 559 W HA 0.302 4.960 4.660 -0.003 0.000 0.298 559 W C 0.135 176.666 176.519 0.020 0.000 0.885 559 W CA -0.402 56.949 57.345 0.010 0.000 1.488 559 W CB -0.639 28.828 29.460 0.013 0.000 1.079 559 W HN 0.515 nan 8.180 nan 0.000 0.506 560 D N 1.849 122.090 120.400 -0.266 0.000 2.123 560 D HA -0.182 4.455 4.640 -0.004 0.000 0.196 560 D C 1.795 178.059 176.300 -0.059 0.000 0.992 560 D CA 2.277 56.125 54.000 -0.254 0.000 0.833 560 D CB 0.124 40.812 40.800 -0.188 0.000 0.954 560 D HN 0.383 nan 8.370 nan 0.000 0.455 561 Q N -1.780 118.022 119.800 0.002 0.000 2.360 561 Q HA 0.184 4.522 4.340 -0.004 0.000 0.261 561 Q C 0.196 176.233 176.000 0.061 0.000 0.802 561 Q CA -0.097 55.729 55.803 0.039 0.000 0.983 561 Q CB 1.258 30.019 28.738 0.037 0.000 1.211 561 Q HN 0.112 nan 8.270 nan 0.000 0.523 562 C N 4.173 123.516 119.300 0.072 0.000 2.652 562 C HA 0.265 4.723 4.460 -0.004 0.000 0.412 562 C C -2.021 173.051 174.990 0.136 0.000 1.294 562 C CA -1.150 57.933 59.018 0.108 0.000 2.127 562 C CB 0.137 27.951 27.740 0.124 0.000 2.691 562 C HN 0.253 nan 8.230 nan 0.000 0.615 563 P HA 0.147 nan 4.420 nan 0.000 0.267 563 P C -2.536 174.831 177.300 0.112 0.000 1.205 563 P CA -0.733 62.427 63.100 0.100 0.000 0.765 563 P CB -0.388 31.349 31.700 0.061 0.000 0.828 564 P HA 0.050 nan 4.420 nan 0.000 0.265 564 P C -0.192 177.121 177.300 0.023 0.000 1.193 564 P CA 0.097 63.236 63.100 0.065 0.000 0.765 564 P CB 0.105 31.724 31.700 -0.135 0.000 0.823 565 F N 3.406 123.286 119.950 -0.116 0.000 2.538 565 F HA 0.155 4.680 4.527 -0.003 0.000 0.371 565 F C 0.501 176.227 175.800 -0.123 0.000 1.087 565 F CA 0.505 58.379 58.000 -0.210 0.000 1.250 565 F CB 0.386 39.095 39.000 -0.485 0.000 1.110 565 F HN 0.246 nan 8.300 nan 0.000 0.570 566 Q N 5.661 124.919 119.800 -0.903 0.000 2.274 566 Q HA 0.151 4.489 4.340 -0.004 0.000 0.268 566 Q C -0.282 175.210 176.000 -0.847 0.000 1.015 566 Q CA -0.747 54.678 55.803 -0.631 0.000 0.775 566 Q CB 0.781 29.347 28.738 -0.287 0.000 1.256 566 Q HN 0.926 nan 8.270 nan 0.000 0.442 567 W N 1.770 122.721 121.300 -0.583 0.000 2.318 567 W HA -0.215 4.443 4.660 -0.003 0.000 0.313 567 W C 2.121 178.578 176.519 -0.105 0.000 1.221 567 W CA 1.502 58.643 57.345 -0.340 0.000 1.266 567 W CB 0.097 29.399 29.460 -0.262 0.000 1.150 567 W HN 0.593 nan 8.180 nan 0.000 0.496 568 S N -0.009 115.795 115.700 0.173 0.000 2.374 568 S HA -0.211 4.256 4.470 -0.004 0.000 0.227 568 S C 1.458 176.082 174.600 0.041 0.000 1.037 568 S CA 1.633 59.904 58.200 0.118 0.000 1.024 568 S CB -0.364 62.869 63.200 0.055 0.000 0.861 568 S HN 0.308 nan 8.310 nan 0.000 0.456 569 K N 1.363 121.738 120.400 -0.041 0.000 2.404 569 K HA 0.135 4.453 4.320 -0.004 0.000 0.194 569 K C 0.549 177.119 176.600 -0.051 0.000 1.023 569 K CA -0.021 56.231 56.287 -0.058 0.000 1.094 569 K CB 0.333 32.781 32.500 -0.087 0.000 0.841 569 K HN 0.384 nan 8.250 nan 0.000 0.523 570 S N 1.176 116.843 115.700 -0.055 0.000 2.632 570 S HA 0.241 4.709 4.470 -0.004 0.000 0.271 570 S C -1.922 172.707 174.600 0.047 0.000 1.260 570 S CA -1.304 56.881 58.200 -0.026 0.000 1.010 570 S CB 1.070 64.228 63.200 -0.070 0.000 0.965 570 S HN -0.092 nan 8.310 nan 0.000 0.534 571 P HA 0.157 nan 4.420 nan 0.000 0.258 571 P C -0.490 176.414 177.300 -0.660 0.000 1.319 571 P CA 0.333 63.199 63.100 -0.391 0.000 0.785 571 P CB -0.546 30.814 31.700 -0.568 0.000 1.252 572 F N -1.622 118.392 119.950 0.107 0.000 2.775 572 F HA 0.174 4.699 4.527 -0.003 0.000 0.313 572 F C 1.930 177.892 175.800 0.271 0.000 1.121 572 F CA -0.556 57.544 58.000 0.167 0.000 1.206 572 F CB -0.975 38.252 39.000 0.378 0.000 1.052 572 F HN -0.009 nan 8.300 nan 0.000 0.524 573 H N -1.085 118.237 119.070 0.419 0.000 2.466 573 H HA -0.188 4.366 4.556 -0.004 0.000 0.297 573 H C 2.051 177.560 175.328 0.302 0.000 1.113 573 H CA 1.587 57.857 56.048 0.370 0.000 1.273 573 H CB -1.022 28.861 29.762 0.202 0.000 1.371 573 H HN 0.208 nan 8.280 nan 0.000 0.528 574 S N 0.816 116.501 115.700 -0.026 0.000 2.383 574 S HA -0.075 4.393 4.470 -0.004 0.000 0.227 574 S C 1.160 175.820 174.600 0.099 0.000 1.026 574 S CA 0.483 58.725 58.200 0.069 0.000 0.981 574 S CB -0.389 62.786 63.200 -0.042 0.000 0.818 574 S HN 0.351 nan 8.310 nan 0.000 0.472 575 M N 2.952 122.641 119.600 0.149 0.000 2.248 575 M HA 0.236 4.714 4.480 -0.004 0.000 0.345 575 M C 0.020 176.333 176.300 0.020 0.000 1.243 575 M CA -0.189 55.172 55.300 0.102 0.000 1.090 575 M CB 0.151 32.866 32.600 0.192 0.000 1.683 575 M HN 0.369 nan 8.290 nan 0.000 0.450 576 L N 2.784 123.974 121.223 -0.055 0.000 2.371 576 L HA 0.407 4.745 4.340 -0.004 0.000 0.272 576 L C 0.014 176.765 176.870 -0.199 0.000 1.124 576 L CA -0.474 54.257 54.840 -0.182 0.000 0.816 576 L CB 0.414 42.392 42.059 -0.136 0.000 1.129 576 L HN 0.769 nan 8.230 nan 0.000 0.448 577 H N 2.687 121.565 119.070 -0.319 0.000 2.806 577 H HA 0.331 4.885 4.556 -0.003 0.000 0.218 577 H C -1.016 174.236 175.328 -0.127 0.000 1.392 577 H CA -0.767 55.102 56.048 -0.298 0.000 1.358 577 H CB -0.526 28.802 29.762 -0.723 0.000 1.944 577 H HN 0.708 nan 8.280 nan 0.000 0.530 578 M N 1.190 120.726 119.600 -0.107 0.000 2.252 578 M HA 0.210 4.687 4.480 -0.004 0.000 0.348 578 M C 1.312 177.647 176.300 0.058 0.000 1.334 578 M CA 1.835 57.110 55.300 -0.042 0.000 1.071 578 M CB 0.627 33.226 32.600 -0.001 0.000 1.763 578 M HN 0.844 nan 8.290 nan 0.000 0.452 579 G N 1.544 110.379 108.800 0.060 0.000 2.212 579 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.266 579 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.266 579 G C 0.091 175.058 174.900 0.111 0.000 0.978 579 G CA -0.112 45.036 45.100 0.081 0.000 0.632 579 G HN 0.698 nan 8.290 nan 0.000 0.537 580 Q N 0.992 120.910 119.800 0.197 0.000 2.288 580 Q HA 0.399 4.737 4.340 -0.004 0.000 0.254 580 Q C -2.251 173.888 176.000 0.231 0.000 0.932 580 Q CA -1.627 54.380 55.803 0.340 0.000 0.902 580 Q CB 0.999 30.115 28.738 0.631 0.000 1.203 580 Q HN 0.200 nan 8.270 nan 0.000 0.415 581 P HA -0.075 nan 4.420 nan 0.000 0.268 581 P C -0.051 177.265 177.300 0.026 0.000 1.205 581 P CA 0.115 63.120 63.100 -0.159 0.000 0.771 581 P CB 0.671 32.086 31.700 -0.476 0.000 0.858 582 D N 2.127 122.580 120.400 0.089 0.000 2.084 582 D HA -0.113 4.525 4.640 -0.004 0.000 0.194 582 D C 0.288 176.650 176.300 0.104 0.000 0.990 582 D CA 1.216 55.345 54.000 0.216 0.000 0.826 582 D CB -0.167 40.704 40.800 0.117 0.000 0.971 582 D HN 0.167 nan 8.370 nan 0.000 0.453 583 L N -0.147 121.006 121.223 -0.116 0.000 2.322 583 L HA 0.422 4.760 4.340 -0.004 0.000 0.279 583 L C -1.436 175.205 176.870 -0.381 0.000 1.036 583 L CA -0.536 54.188 54.840 -0.193 0.000 0.807 583 L CB 1.340 43.246 42.059 -0.256 0.000 1.226 583 L HN 0.007 nan 8.230 nan 0.000 0.433 584 W N 6.766 127.897 121.300 -0.282 0.000 2.394 584 W HA 0.513 5.171 4.660 -0.004 0.000 0.312 584 W C -0.219 175.908 176.519 -0.654 0.000 0.981 584 W CA -0.246 56.911 57.345 -0.314 0.000 1.519 584 W CB 0.978 30.430 29.460 -0.013 0.000 1.304 584 W HN 0.299 nan 8.180 nan 0.000 0.412 585 M N 3.332 122.340 119.600 -0.987 0.000 3.004 585 M HA 0.248 4.726 4.480 -0.004 0.000 0.365 585 M C -1.028 174.708 176.300 -0.940 0.000 1.317 585 M CA -0.306 54.092 55.300 -1.503 0.000 0.821 585 M CB 0.306 32.101 32.600 -1.341 0.000 1.387 585 M HN 0.040 nan 8.290 nan 0.000 0.501 586 F N -0.041 119.898 119.950 -0.018 0.000 2.396 586 F HA 0.380 4.905 4.527 -0.004 0.000 0.343 586 F C 0.973 177.083 175.800 0.516 0.000 1.104 586 F CA -0.153 57.975 58.000 0.214 0.000 1.161 586 F CB 0.973 40.054 39.000 0.136 0.000 1.146 586 F HN -0.000 nan 8.300 nan 0.000 0.522 587 S N 3.248 119.305 115.700 0.596 0.000 2.654 587 S HA 0.485 4.953 4.470 -0.004 0.000 0.283 587 S C -2.432 172.392 174.600 0.375 0.000 1.180 587 S CA -1.289 57.188 58.200 0.462 0.000 1.021 587 S CB 1.090 64.506 63.200 0.361 0.000 1.018 587 S HN 0.324 nan 8.310 nan 0.000 0.532 588 P HA 0.261 nan 4.420 nan 0.000 0.269 588 P C -0.903 176.524 177.300 0.212 0.000 1.209 588 P CA -0.092 63.152 63.100 0.240 0.000 0.776 588 P CB 0.032 31.821 31.700 0.148 0.000 0.876 589 I N -1.627 119.061 120.570 0.197 0.000 2.969 589 I HA 0.618 4.786 4.170 -0.004 0.000 0.307 589 I C -0.268 175.892 176.117 0.071 0.000 1.149 589 I CA -1.629 59.759 61.300 0.147 0.000 1.008 589 I CB 2.640 40.762 38.000 0.204 0.000 1.232 589 I HN 0.109 nan 8.210 nan 0.000 0.435 590 R N 3.004 123.536 120.500 0.053 0.000 2.312 590 R HA 0.664 5.002 4.340 -0.004 0.000 0.311 590 R C -0.609 175.702 176.300 0.017 0.000 1.004 590 R CA -0.645 55.469 56.100 0.023 0.000 0.902 590 R CB 1.575 31.887 30.300 0.019 0.000 1.073 590 R HN 0.758 nan 8.270 nan 0.000 0.457 591 V N 2.502 122.420 119.914 0.006 0.000 2.904 591 V HA 0.616 4.734 4.120 -0.004 0.000 0.305 591 V C -2.473 173.596 176.094 -0.042 0.000 1.067 591 V CA -2.247 60.071 62.300 0.030 0.000 1.044 591 V CB 1.215 33.079 31.823 0.068 0.000 1.050 591 V HN 0.703 nan 8.190 nan 0.000 0.475 592 P HA 0.282 nan 4.420 nan 0.000 0.280 592 P C -0.964 176.367 177.300 0.052 0.000 1.244 592 P CA -0.113 62.851 63.100 -0.228 0.000 0.784 592 P CB 0.088 31.374 31.700 -0.691 0.000 0.913 593 W N 1.867 122.993 121.300 -0.290 0.000 3.115 593 W HA -0.185 4.473 4.660 -0.003 0.000 0.452 593 W C 0.266 176.497 176.519 -0.481 0.000 1.828 593 W CA -0.495 56.559 57.345 -0.484 0.000 0.469 593 W CB -1.389 27.911 29.460 -0.267 0.000 2.862 593 W HN 0.688 nan 8.180 nan 0.000 0.437 594 D N 0.000 120.039 120.400 -0.601 0.000 6.856 594 D HA 0.000 4.638 4.640 -0.004 0.000 0.175 594 D CA 0.000 53.804 54.000 -0.326 0.000 0.868 594 D CB 0.000 40.586 40.800 -0.356 0.000 0.688 594 D HN 0.000 nan 8.370 nan 0.000 0.683