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 3okw_1_B DATA FIRST_RESID 20 DATA SEQUENCE FPEDSEPISI XXXXYTKQYP VFVGHKPGXX XXXXXRLDIQ MIMIMNRTLY DATA SEQUENCE VAARDHIYTV DIDTSHTEEI YCSKKLTWKS RQADVDTcRM KGKHKDEcHN DATA SEQUENCE FIKVLLKKND DTLFVcGTNA FNPScRNYRV DTLETFGDEF SGMARCPYDA DATA SEQUENCE KHANIALFAD GKLYSATVTD FLAIDAVIYR SLGDSPTLRT VKHDSKWLKE DATA SEQUENCE PYFVQAVDYG DYIYFFFREI AVEYNXXGKV VFPRVAQVcK NDMGGSQRVL DATA SEQUENCE EKQWTSFLKA RLNcSVPGDS HFYFNILQAV TDVIRINGRD VVLATFSTPY DATA SEQUENCE NSIPGSAVcA YDMLDIANVF TGRFKEQKSP DSTWTPVPDE RVPKPRPGCc DATA SEQUENCE AGSSSLEKYA TSNEFPDDTL NFIKTHPLMD EAVPSIINRP WFLRTMVRYR DATA SEQUENCE LTKIAVDNAA GPYQNHTVVF LGSEKGIILK FLARIGSXXX LNGSLFLEEM DATA SEQUENCE NVYNPEKcSY DGVEDKRIMG MQLDRASGSL YVAFSTcVIK VPLGRcERHX DATA SEQUENCE XcKKTcIASR DPYcGWVRES GScAHXXXXX XXXXEQDIER GNTDGLGDc 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 20 F HA 0.000 nan 4.527 nan 0.000 0.279 20 F C 0.000 175.742 175.800 -0.097 0.000 0.967 20 F CA 0.000 57.926 58.000 -0.123 0.000 1.383 20 F CB 0.000 38.886 39.000 -0.190 0.000 1.145 21 P HA 0.094 nan 4.420 nan 0.000 0.263 21 P C -0.778 176.550 177.300 0.046 0.000 1.175 21 P CA 0.165 63.164 63.100 -0.168 0.000 0.761 21 P CB 0.569 32.064 31.700 -0.341 0.000 0.794 22 E N 1.368 121.584 120.200 0.026 0.000 2.349 22 E HA 0.079 4.429 4.350 -0.000 0.000 0.265 22 E C -0.323 176.302 176.600 0.040 0.000 1.064 22 E CA -0.694 55.736 56.400 0.051 0.000 0.886 22 E CB 0.619 30.340 29.700 0.034 0.000 1.036 22 E HN 0.395 nan 8.360 nan 0.000 0.413 23 D N 0.821 121.256 120.400 0.059 0.000 2.368 23 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 23 D C -0.701 175.679 176.300 0.133 0.000 1.169 23 D CA 0.273 54.320 54.000 0.078 0.000 0.906 23 D CB 0.969 41.830 40.800 0.102 0.000 1.187 23 D HN 0.160 nan 8.370 nan 0.000 0.435 24 S N 0.820 116.665 115.700 0.241 0.000 2.585 24 S HA 0.254 4.724 4.470 -0.000 0.000 0.277 24 S C -0.002 174.836 174.600 0.396 0.000 1.241 24 S CA -0.826 57.571 58.200 0.327 0.000 1.041 24 S CB 1.168 64.644 63.200 0.461 0.000 0.987 24 S HN 0.233 nan 8.310 nan 0.000 0.512 25 E N 3.052 123.370 120.200 0.198 0.000 2.216 25 E HA 0.331 4.681 4.350 -0.000 0.000 0.279 25 E C -2.300 174.162 176.600 -0.229 0.000 0.997 25 E CA -2.293 54.120 56.400 0.021 0.000 0.817 25 E CB 0.794 30.485 29.700 -0.015 0.000 1.096 25 E HN 0.343 nan 8.360 nan 0.000 0.393 26 P HA 0.128 nan 4.420 nan 0.000 0.269 26 P C 0.934 177.976 177.300 -0.431 0.000 1.215 26 P CA -0.034 62.418 63.100 -1.081 0.000 0.780 26 P CB 0.851 31.789 31.700 -1.271 0.000 0.898 27 I N -0.398 119.989 120.570 -0.304 0.000 2.700 27 I HA -0.120 4.050 4.170 -0.000 0.000 0.261 27 I C 0.516 176.547 176.117 -0.144 0.000 1.219 27 I CA 1.446 62.644 61.300 -0.171 0.000 1.463 27 I CB -0.198 37.726 38.000 -0.126 0.000 1.092 27 I HN 0.274 nan 8.210 nan 0.000 0.452 28 S N -0.076 115.511 115.700 -0.189 0.000 2.562 28 S HA 0.541 5.010 4.470 -0.000 0.000 0.274 28 S C -0.420 174.088 174.600 -0.154 0.000 1.160 28 S CA -0.600 57.536 58.200 -0.108 0.000 0.933 28 S CB 2.372 65.582 63.200 0.018 0.000 1.100 28 S HN -0.023 nan 8.310 nan 0.000 0.468 35 T N 0.106 114.521 114.554 -0.232 0.000 3.341 35 T HA 0.207 4.557 4.350 -0.000 0.000 0.234 35 T C 0.528 174.981 174.700 -0.412 0.000 0.890 35 T CA 0.337 62.119 62.100 -0.530 0.000 0.952 35 T CB -0.459 68.311 68.868 -0.163 0.000 1.146 35 T HN 0.580 nan 8.240 nan 0.000 0.591 36 K N 0.099 120.258 120.400 -0.402 0.000 2.438 36 K HA 0.141 4.460 4.320 -0.000 0.000 0.206 36 K C 1.572 178.011 176.600 -0.268 0.000 1.081 36 K CA -0.367 55.761 56.287 -0.265 0.000 1.053 36 K CB 0.236 32.626 32.500 -0.182 0.000 0.908 36 K HN 0.478 nan 8.250 nan 0.000 0.556 37 Q N 0.162 119.723 119.800 -0.398 0.000 2.319 37 Q HA 0.122 4.462 4.340 -0.000 0.000 0.202 37 Q C -0.651 175.271 176.000 -0.130 0.000 0.896 37 Q CA -0.492 55.142 55.803 -0.282 0.000 0.942 37 Q CB -0.119 28.406 28.738 -0.355 0.000 1.083 37 Q HN 0.113 nan 8.270 nan 0.000 0.510 38 Y N 2.661 122.884 120.300 -0.129 0.000 2.359 38 Y HA 0.300 4.850 4.550 -0.000 0.000 0.330 38 Y C -2.040 173.803 175.900 -0.094 0.000 1.143 38 Y CA -3.383 54.654 58.100 -0.105 0.000 1.318 38 Y CB 0.057 38.466 38.460 -0.086 0.000 1.234 38 Y HN 0.046 nan 8.280 nan 0.000 0.522 39 P HA 0.051 nan 4.420 nan 0.000 0.263 39 P C -0.908 176.397 177.300 0.009 0.000 1.195 39 P CA 0.275 63.378 63.100 0.006 0.000 0.762 39 P CB 0.470 32.159 31.700 -0.018 0.000 0.799 40 V N 4.638 124.538 119.914 -0.022 0.000 2.680 40 V HA 0.458 4.578 4.120 -0.000 0.000 0.309 40 V C -0.422 175.659 176.094 -0.021 0.000 1.052 40 V CA -0.698 61.597 62.300 -0.008 0.000 0.908 40 V CB 1.712 33.499 31.823 -0.061 0.000 1.001 40 V HN 0.372 nan 8.190 nan 0.000 0.431 41 F N 5.059 124.935 119.950 -0.123 0.000 2.427 41 F HA 0.622 5.149 4.527 -0.000 0.000 0.346 41 F C 0.495 176.164 175.800 -0.218 0.000 1.120 41 F CA -0.497 57.396 58.000 -0.179 0.000 1.033 41 F CB 1.710 40.628 39.000 -0.136 0.000 1.126 41 F HN 0.283 nan 8.300 nan 0.000 0.462 42 V N 2.929 122.201 119.914 -1.070 0.000 3.166 42 V HA 0.489 4.609 4.120 -0.000 0.000 0.332 42 V C 0.709 176.017 176.094 -1.310 0.000 1.434 42 V CA -0.005 61.706 62.300 -0.982 0.000 1.121 42 V CB -0.052 31.366 31.823 -0.674 0.000 1.062 42 V HN 1.453 nan 8.190 nan 0.000 0.489 43 G N 0.478 108.017 108.800 -2.101 0.000 2.171 43 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.238 43 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.238 43 G C -0.165 174.418 174.900 -0.529 0.000 1.039 43 G CA 0.465 44.738 45.100 -1.379 0.000 0.759 43 G HN 0.790 nan 8.290 nan 0.000 0.501 44 H N -0.132 118.717 119.070 -0.368 0.000 2.479 44 H HA 0.557 5.113 4.556 -0.000 0.000 0.335 44 H C 0.518 175.945 175.328 0.165 0.000 1.142 44 H CA -0.694 55.330 56.048 -0.040 0.000 1.234 44 H CB 1.241 31.029 29.762 0.044 0.000 1.503 44 H HN 0.164 nan 8.280 nan 0.000 0.510 45 K N 2.282 122.827 120.400 0.242 0.000 2.090 45 K HA 0.259 4.579 4.320 -0.000 0.000 0.249 45 K C -2.397 174.148 176.600 -0.093 0.000 0.995 45 K CA -1.870 54.495 56.287 0.131 0.000 0.914 45 K CB 0.510 33.045 32.500 0.057 0.000 1.057 45 K HN 0.368 nan 8.250 nan 0.000 0.462 46 P HA 0.004 nan 4.420 nan 0.000 0.267 46 P C -0.105 176.968 177.300 -0.378 0.000 1.200 46 P CA 0.612 63.239 63.100 -0.787 0.000 0.772 46 P CB 0.428 31.805 31.700 -0.538 0.000 0.855 56 L N 0.415 121.571 121.223 -0.112 0.000 2.341 56 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 56 L C -0.231 176.692 176.870 0.088 0.000 1.115 56 L CA 0.227 55.080 54.840 0.020 0.000 0.820 56 L CB -0.347 41.718 42.059 0.009 0.000 0.944 56 L HN 0.731 nan 8.230 nan 0.000 0.452 57 D N 1.533 121.968 120.400 0.059 0.000 2.697 57 D HA -0.187 4.453 4.640 -0.000 0.000 0.235 57 D C 0.157 176.569 176.300 0.187 0.000 1.167 57 D CA 0.766 54.854 54.000 0.146 0.000 0.656 57 D CB -1.062 39.906 40.800 0.280 0.000 1.025 57 D HN 0.278 nan 8.370 nan 0.000 0.419 58 I N 0.938 121.604 120.570 0.159 0.000 2.752 58 I HA -0.184 3.986 4.170 -0.000 0.000 0.289 58 I C 1.919 178.122 176.117 0.144 0.000 1.197 58 I CA 0.540 61.941 61.300 0.169 0.000 1.432 58 I CB 0.589 38.684 38.000 0.158 0.000 1.359 58 I HN 0.028 nan 8.210 nan 0.000 0.571 59 Q N 6.402 126.286 119.800 0.140 0.000 2.394 59 Q HA 0.292 4.632 4.340 -0.000 0.000 0.218 59 Q C -0.120 175.929 176.000 0.083 0.000 0.907 59 Q CA 0.825 56.692 55.803 0.108 0.000 0.919 59 Q CB 0.768 29.574 28.738 0.113 0.000 1.051 59 Q HN 0.744 nan 8.270 nan 0.000 0.538 60 M N -0.162 119.489 119.600 0.084 0.000 2.694 60 M HA 0.514 4.994 4.480 -0.000 0.000 0.276 60 M C -1.254 175.083 176.300 0.060 0.000 1.167 60 M CA -0.873 54.464 55.300 0.063 0.000 0.849 60 M CB 2.103 34.738 32.600 0.058 0.000 1.705 60 M HN -0.052 nan 8.290 nan 0.000 0.504 61 I N 0.541 121.134 120.570 0.038 0.000 2.689 61 I HA 0.917 5.087 4.170 -0.000 0.000 0.299 61 I C -1.051 175.081 176.117 0.025 0.000 1.059 61 I CA -0.912 60.403 61.300 0.025 0.000 1.055 61 I CB 2.511 40.505 38.000 -0.012 0.000 1.243 61 I HN 0.923 nan 8.210 nan 0.000 0.425 62 M N 4.527 124.149 119.600 0.038 0.000 2.365 62 M HA 0.546 5.026 4.480 -0.000 0.000 0.288 62 M C -2.196 174.143 176.300 0.064 0.000 1.152 62 M CA -0.539 54.783 55.300 0.037 0.000 0.948 62 M CB 2.190 34.809 32.600 0.031 0.000 1.729 62 M HN 0.613 nan 8.290 nan 0.000 0.487 63 I N 3.774 124.358 120.570 0.023 0.000 2.342 63 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 63 I C -0.526 175.635 176.117 0.073 0.000 1.010 63 I CA -0.250 61.063 61.300 0.022 0.000 1.308 63 I CB 1.383 39.357 38.000 -0.044 0.000 1.400 63 I HN 0.710 nan 8.210 nan 0.000 0.488 64 M N 5.695 125.385 119.600 0.151 0.000 2.190 64 M HA 0.343 4.823 4.480 -0.000 0.000 0.312 64 M C 0.168 176.533 176.300 0.109 0.000 0.990 64 M CA -0.255 55.119 55.300 0.122 0.000 0.927 64 M CB 1.673 34.339 32.600 0.110 0.000 1.571 64 M HN 0.683 nan 8.290 nan 0.000 0.427 65 N N 1.119 119.855 118.700 0.060 0.000 1.758 65 N HA -0.255 4.485 4.740 -0.000 0.000 0.152 65 N C 0.124 175.649 175.510 0.024 0.000 0.558 65 N CA 1.724 54.799 53.050 0.041 0.000 1.229 65 N CB -0.538 37.975 38.487 0.044 0.000 1.337 65 N HN 0.638 nan 8.380 nan 0.000 0.432 66 R N 0.600 121.107 120.500 0.012 0.000 2.546 66 R HA 0.295 4.635 4.340 -0.000 0.000 0.320 66 R C -0.634 175.626 176.300 -0.066 0.000 1.021 66 R CA 0.227 56.315 56.100 -0.020 0.000 1.088 66 R CB 0.465 30.756 30.300 -0.015 0.000 1.278 66 R HN 0.422 nan 8.270 nan 0.000 0.557 67 T N 1.448 115.965 114.554 -0.061 0.000 2.807 67 T HA 0.336 4.686 4.350 -0.000 0.000 0.279 67 T C -0.569 174.007 174.700 -0.208 0.000 0.993 67 T CA -0.565 61.425 62.100 -0.183 0.000 0.970 67 T CB 2.136 70.855 68.868 -0.247 0.000 0.950 67 T HN -0.029 nan 8.240 nan 0.000 0.441 68 L N 4.174 125.190 121.223 -0.344 0.000 2.265 68 L HA 0.481 4.821 4.340 -0.000 0.000 0.288 68 L C -1.395 175.254 176.870 -0.368 0.000 1.058 68 L CA -0.443 54.196 54.840 -0.336 0.000 0.809 68 L CB -0.085 41.661 42.059 -0.522 0.000 1.179 68 L HN 0.588 nan 8.230 nan 0.000 0.429 69 Y N 4.133 124.341 120.300 -0.154 0.000 2.320 69 Y HA 0.507 5.057 4.550 -0.000 0.000 0.334 69 Y C -0.018 175.830 175.900 -0.087 0.000 1.055 69 Y CA -0.588 57.453 58.100 -0.098 0.000 1.143 69 Y CB 1.591 40.017 38.460 -0.056 0.000 1.193 69 Y HN 0.274 nan 8.280 nan 0.000 0.477 70 V N 4.029 123.985 119.914 0.071 0.000 2.293 70 V HA 0.561 4.681 4.120 -0.000 0.000 0.275 70 V C -0.012 176.211 176.094 0.214 0.000 1.021 70 V CA -0.983 61.380 62.300 0.105 0.000 0.815 70 V CB 0.723 32.569 31.823 0.038 0.000 1.025 70 V HN 0.871 nan 8.190 nan 0.000 0.448 71 A N 4.246 127.160 122.820 0.158 0.000 2.328 71 A HA 0.940 5.260 4.320 -0.000 0.000 0.284 71 A C 0.328 178.010 177.584 0.163 0.000 1.160 71 A CA 0.456 52.572 52.037 0.132 0.000 0.818 71 A CB 0.924 19.975 19.000 0.085 0.000 1.087 71 A HN 1.327 nan 8.150 nan 0.000 0.504 72 A N 2.246 125.159 122.820 0.155 0.000 2.765 72 A HA 0.772 5.092 4.320 -0.000 0.000 0.305 72 A C -0.084 177.553 177.584 0.088 0.000 1.229 72 A CA -0.716 51.437 52.037 0.194 0.000 0.653 72 A CB 0.380 19.585 19.000 0.341 0.000 1.375 72 A HN 0.913 nan 8.150 nan 0.000 0.540 73 R N 0.255 120.780 120.500 0.041 0.000 2.370 73 R HA 0.324 4.664 4.340 -0.000 0.000 0.309 73 R C -0.699 175.471 176.300 -0.216 0.000 1.059 73 R CA 0.838 56.765 56.100 -0.289 0.000 0.981 73 R CB -0.169 29.882 30.300 -0.416 0.000 0.972 73 R HN 0.634 nan 8.270 nan 0.000 0.437 74 D N 1.119 121.294 120.400 -0.374 0.000 3.006 74 D HA -0.221 4.419 4.640 -0.000 0.000 0.208 74 D C -0.608 175.271 176.300 -0.702 0.000 1.116 74 D CA 1.662 55.375 54.000 -0.479 0.000 0.998 74 D CB -0.748 39.781 40.800 -0.451 0.000 1.124 74 D HN 0.666 nan 8.370 nan 0.000 0.413 75 H N -1.326 117.635 119.070 -0.182 0.000 3.016 75 H HA 0.624 5.180 4.556 -0.000 0.000 0.362 75 H C -0.092 175.049 175.328 -0.311 0.000 1.233 75 H CA -0.585 55.280 56.048 -0.304 0.000 1.124 75 H CB 1.571 30.977 29.762 -0.593 0.000 1.850 75 H HN -0.118 nan 8.280 nan 0.000 0.549 76 I N 2.252 122.691 120.570 -0.217 0.000 2.466 76 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 76 I C -1.037 174.937 176.117 -0.239 0.000 1.026 76 I CA -0.639 60.574 61.300 -0.145 0.000 1.078 76 I CB 1.398 39.367 38.000 -0.052 0.000 1.249 76 I HN 0.343 nan 8.210 nan 0.000 0.429 77 Y N 3.185 123.528 120.300 0.071 0.000 2.387 77 Y HA 0.502 5.052 4.550 -0.000 0.000 0.336 77 Y C 0.710 176.525 175.900 -0.143 0.000 1.067 77 Y CA -0.850 57.261 58.100 0.019 0.000 1.114 77 Y CB 1.908 40.444 38.460 0.127 0.000 1.208 77 Y HN 0.463 nan 8.280 nan 0.000 0.458 78 T N -0.587 113.934 114.554 -0.055 0.000 2.855 78 T HA 0.780 5.130 4.350 -0.000 0.000 0.281 78 T C -0.995 173.562 174.700 -0.239 0.000 1.007 78 T CA -0.779 61.136 62.100 -0.309 0.000 1.009 78 T CB 1.357 69.971 68.868 -0.423 0.000 0.983 78 T HN 0.374 nan 8.240 nan 0.000 0.455 79 V N 2.440 122.152 119.914 -0.337 0.000 2.487 79 V HA 0.324 4.444 4.120 -0.000 0.000 0.298 79 V C -0.602 175.357 176.094 -0.225 0.000 1.028 79 V CA -0.963 61.182 62.300 -0.259 0.000 0.860 79 V CB 1.725 33.334 31.823 -0.356 0.000 0.991 79 V HN 0.937 nan 8.190 nan 0.000 0.427 80 D N 4.357 124.678 120.400 -0.132 0.000 2.367 80 D HA 0.218 4.858 4.640 -0.000 0.000 0.255 80 D C 1.281 177.513 176.300 -0.114 0.000 1.300 80 D CA 0.283 54.219 54.000 -0.108 0.000 0.959 80 D CB 0.945 41.713 40.800 -0.052 0.000 1.064 80 D HN 0.416 nan 8.370 nan 0.000 0.509 81 I N 1.038 121.524 120.570 -0.140 0.000 2.151 81 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 81 I C 1.119 177.187 176.117 -0.082 0.000 1.080 81 I CA 1.219 62.449 61.300 -0.117 0.000 1.339 81 I CB 0.104 38.033 38.000 -0.118 0.000 1.039 81 I HN 0.188 nan 8.210 nan 0.000 0.409 82 D N 0.041 120.407 120.400 -0.055 0.000 2.434 82 D HA 0.037 4.677 4.640 -0.000 0.000 0.232 82 D C 1.306 177.610 176.300 0.007 0.000 1.166 82 D CA 0.611 54.601 54.000 -0.017 0.000 0.830 82 D CB 0.210 41.022 40.800 0.020 0.000 0.960 82 D HN 0.472 nan 8.370 nan 0.000 0.497 83 T N -4.765 109.743 114.554 -0.077 0.000 3.046 83 T HA 0.080 4.430 4.350 -0.000 0.000 0.270 83 T C 0.783 175.403 174.700 -0.133 0.000 0.920 83 T CA -0.322 61.783 62.100 0.009 0.000 0.874 83 T CB 0.406 69.300 68.868 0.043 0.000 1.214 83 T HN -0.084 nan 8.240 nan 0.000 0.536 84 S N 1.061 116.566 115.700 -0.325 0.000 2.439 84 S HA 0.431 4.901 4.470 -0.000 0.000 0.282 84 S C -0.115 174.167 174.600 -0.529 0.000 1.170 84 S CA -0.370 57.680 58.200 -0.249 0.000 1.054 84 S CB 0.088 63.219 63.200 -0.114 0.000 0.956 84 S HN 0.591 nan 8.310 nan 0.000 0.490 85 H N 1.081 120.180 119.070 0.049 0.000 3.540 85 H HA 0.187 4.743 4.556 -0.000 0.000 0.259 85 H C 0.788 176.132 175.328 0.026 0.000 1.197 85 H CA 0.095 56.161 56.048 0.030 0.000 1.136 85 H CB 0.410 30.188 29.762 0.027 0.000 1.605 85 H HN 0.617 nan 8.280 nan 0.000 0.657 86 T N -0.939 113.686 114.554 0.119 0.000 2.788 86 T HA 0.050 4.400 4.350 -0.000 0.000 0.287 86 T C 1.290 175.996 174.700 0.009 0.000 1.007 86 T CA -0.534 61.614 62.100 0.079 0.000 1.005 86 T CB 1.380 70.322 68.868 0.123 0.000 1.012 86 T HN 0.084 nan 8.240 nan 0.000 0.530 87 E N 0.034 120.231 120.200 -0.004 0.000 2.409 87 E HA -0.010 4.340 4.350 -0.000 0.000 0.198 87 E C 0.480 177.027 176.600 -0.088 0.000 1.024 87 E CA 0.664 57.044 56.400 -0.033 0.000 0.861 87 E CB 0.121 29.805 29.700 -0.027 0.000 0.788 87 E HN 0.815 nan 8.360 nan 0.000 0.521 88 E N 0.563 120.663 120.200 -0.167 0.000 2.165 88 E HA 0.280 4.630 4.350 -0.000 0.000 0.266 88 E C -0.808 175.481 176.600 -0.518 0.000 0.889 88 E CA -0.499 55.694 56.400 -0.345 0.000 0.756 88 E CB 0.930 30.363 29.700 -0.445 0.000 1.131 88 E HN -0.117 nan 8.360 nan 0.000 0.411 89 I N 4.707 125.099 120.570 -0.298 0.000 2.471 89 I HA 0.104 4.274 4.170 -0.000 0.000 0.286 89 I C -0.596 175.419 176.117 -0.169 0.000 1.079 89 I CA -0.045 61.165 61.300 -0.149 0.000 1.398 89 I CB 0.194 38.236 38.000 0.072 0.000 1.403 89 I HN 0.485 nan 8.210 nan 0.000 0.530 90 Y N 4.781 125.179 120.300 0.162 0.000 2.457 90 Y HA 0.404 4.954 4.550 -0.000 0.000 0.333 90 Y C 0.400 176.428 175.900 0.213 0.000 1.119 90 Y CA -1.000 57.203 58.100 0.172 0.000 1.143 90 Y CB 1.296 39.814 38.460 0.096 0.000 1.230 90 Y HN 0.586 nan 8.280 nan 0.000 0.469 91 C N 1.310 120.880 119.300 0.450 0.000 2.536 91 C HA 0.413 4.873 4.460 -0.000 0.000 0.396 91 C C 1.271 176.374 174.990 0.189 0.000 1.279 91 C CA 0.044 59.262 59.018 0.333 0.000 2.148 91 C CB -0.119 27.898 27.740 0.462 0.000 2.584 91 C HN 0.989 nan 8.230 nan 0.000 0.579 92 S N 2.972 118.726 115.700 0.090 0.000 2.355 92 S HA 0.111 4.581 4.470 -0.000 0.000 0.216 92 S C 0.238 174.864 174.600 0.044 0.000 1.037 92 S CA 0.811 59.037 58.200 0.044 0.000 0.955 92 S CB -0.063 63.129 63.200 -0.014 0.000 0.877 92 S HN 0.859 nan 8.310 nan 0.000 0.488 93 K N 0.784 121.202 120.400 0.030 0.000 2.385 93 K HA 0.518 4.838 4.320 -0.000 0.000 0.248 93 K C -0.909 175.727 176.600 0.060 0.000 0.955 93 K CA -0.707 55.602 56.287 0.037 0.000 0.816 93 K CB 2.028 34.533 32.500 0.008 0.000 1.250 93 K HN -0.028 nan 8.250 nan 0.000 0.434 94 K N 3.181 123.615 120.400 0.057 0.000 2.471 94 K HA 0.345 4.665 4.320 -0.000 0.000 0.252 94 K C -1.508 175.095 176.600 0.005 0.000 0.938 94 K CA -0.655 55.644 56.287 0.020 0.000 0.796 94 K CB 1.438 33.970 32.500 0.054 0.000 1.161 94 K HN 0.685 nan 8.250 nan 0.000 0.425 95 L N 3.552 124.745 121.223 -0.050 0.000 2.292 95 L HA 0.442 4.781 4.340 -0.000 0.000 0.284 95 L C -1.067 175.809 176.870 0.011 0.000 1.065 95 L CA -0.096 54.715 54.840 -0.047 0.000 0.806 95 L CB 1.617 43.568 42.059 -0.179 0.000 1.175 95 L HN 0.698 nan 8.230 nan 0.000 0.431 96 T N 4.225 118.815 114.554 0.059 0.000 2.792 96 T HA 0.349 4.699 4.350 -0.000 0.000 0.280 96 T C -1.422 173.329 174.700 0.085 0.000 0.990 96 T CA -0.109 61.996 62.100 0.009 0.000 0.960 96 T CB 0.920 69.843 68.868 0.091 0.000 0.939 96 T HN 0.618 nan 8.240 nan 0.000 0.439 97 W N 5.304 126.458 121.300 -0.243 0.000 2.409 97 W HA 0.417 5.077 4.660 -0.000 0.000 0.285 97 W C -1.145 175.271 176.519 -0.172 0.000 1.030 97 W CA -1.561 55.709 57.345 -0.126 0.000 1.330 97 W CB 0.303 29.732 29.460 -0.052 0.000 1.236 97 W HN 0.471 nan 8.180 nan 0.000 0.341 98 K N 2.367 122.842 120.400 0.124 0.000 2.144 98 K HA 0.486 4.805 4.320 -0.000 0.000 0.270 98 K C 0.669 177.297 176.600 0.047 0.000 1.005 98 K CA -0.569 55.706 56.287 -0.020 0.000 0.932 98 K CB 1.398 33.902 32.500 0.007 0.000 1.021 98 K HN 0.111 nan 8.250 nan 0.000 0.462 99 S N 1.768 117.427 115.700 -0.068 0.000 2.568 99 S HA 0.051 4.521 4.470 -0.000 0.000 0.282 99 S C 0.217 174.843 174.600 0.043 0.000 1.338 99 S CA -0.356 57.835 58.200 -0.015 0.000 1.045 99 S CB 0.349 63.508 63.200 -0.068 0.000 0.873 99 S HN 0.375 nan 8.310 nan 0.000 0.516 100 R N 1.589 122.136 120.500 0.078 0.000 2.698 100 R HA -0.011 4.329 4.340 -0.000 0.000 0.266 100 R C 1.441 177.758 176.300 0.030 0.000 1.026 100 R CA -0.276 55.861 56.100 0.060 0.000 1.102 100 R CB 0.157 30.497 30.300 0.067 0.000 0.978 100 R HN 0.588 nan 8.270 nan 0.000 0.436 101 Q N 2.700 122.514 119.800 0.023 0.000 2.112 101 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 101 Q C 1.920 177.928 176.000 0.012 0.000 0.987 101 Q CA 2.463 58.273 55.803 0.011 0.000 0.858 101 Q CB -0.267 28.479 28.738 0.014 0.000 0.905 101 Q HN 0.788 nan 8.270 nan 0.000 0.420 102 A N 0.389 123.222 122.820 0.020 0.000 1.948 102 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 102 A C 1.831 179.431 177.584 0.025 0.000 1.177 102 A CA 1.955 54.004 52.037 0.020 0.000 0.636 102 A CB -0.731 18.283 19.000 0.023 0.000 0.815 102 A HN 0.480 nan 8.150 nan 0.000 0.449 103 D N -0.447 119.973 120.400 0.034 0.000 2.123 103 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 103 D C 2.174 178.499 176.300 0.042 0.000 0.976 103 D CA 1.347 55.376 54.000 0.047 0.000 0.831 103 D CB -0.404 40.429 40.800 0.056 0.000 0.974 103 D HN 0.217 nan 8.370 nan 0.000 0.469 104 V N 2.107 122.027 119.914 0.011 0.000 2.231 104 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 104 V C 1.927 178.023 176.094 0.003 0.000 1.054 104 V CA 1.985 64.277 62.300 -0.014 0.000 1.015 104 V CB -0.508 31.273 31.823 -0.069 0.000 0.638 104 V HN 0.072 nan 8.190 nan 0.000 0.444 105 D N -0.292 120.110 120.400 0.002 0.000 2.149 105 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 105 D C 2.238 178.539 176.300 0.003 0.000 0.990 105 D CA 1.844 55.845 54.000 0.002 0.000 0.839 105 D CB -0.474 40.328 40.800 0.003 0.000 0.948 105 D HN 0.440 nan 8.370 nan 0.000 0.460 106 T N 0.013 114.574 114.554 0.012 0.000 2.737 106 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 106 T C 2.171 176.877 174.700 0.009 0.000 1.038 106 T CA 0.988 63.091 62.100 0.005 0.000 1.144 106 T CB -0.695 68.183 68.868 0.016 0.000 0.866 106 T HN 0.275 nan 8.240 nan 0.000 0.434 107 c N 2.343 120.978 118.600 0.058 0.000 2.376 107 c HA -0.160 4.410 4.570 -0.000 0.000 0.275 107 c C 2.864 176.955 174.090 0.002 0.000 1.200 107 c CA 1.020 57.400 56.329 0.084 0.000 1.756 107 c CB -0.936 41.663 42.510 0.149 0.000 2.050 107 c HN 0.419 nan 8.230 nan 0.000 0.460 108 R N 0.255 120.752 120.500 -0.005 0.000 2.096 108 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 108 R C 2.111 178.385 176.300 -0.044 0.000 1.127 108 R CA 1.480 57.564 56.100 -0.028 0.000 0.968 108 R CB -0.894 29.400 30.300 -0.009 0.000 0.861 108 R HN 0.619 nan 8.270 nan 0.000 0.440 109 M N 0.554 120.131 119.600 -0.038 0.000 2.296 109 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 109 M C 1.631 177.887 176.300 -0.073 0.000 1.064 109 M CA 1.454 56.725 55.300 -0.048 0.000 1.109 109 M CB -0.195 32.379 32.600 -0.043 0.000 1.396 109 M HN -0.016 nan 8.290 nan 0.000 0.430 110 K N 0.105 120.450 120.400 -0.092 0.000 2.525 110 K HA 0.079 4.399 4.320 -0.000 0.000 0.192 110 K C 1.080 177.638 176.600 -0.069 0.000 1.029 110 K CA 0.583 56.792 56.287 -0.129 0.000 1.029 110 K CB 0.031 32.377 32.500 -0.257 0.000 0.814 110 K HN 0.569 nan 8.250 nan 0.000 0.503 111 G N 1.391 110.137 108.800 -0.090 0.000 2.176 111 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.232 111 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.232 111 G C -0.074 174.673 174.900 -0.256 0.000 0.986 111 G CA -0.282 44.738 45.100 -0.134 0.000 0.643 111 G HN 0.060 nan 8.290 nan 0.000 0.522 112 K N 0.777 121.026 120.400 -0.252 0.000 2.219 112 K HA 0.426 4.746 4.320 -0.000 0.000 0.258 112 K C 0.503 176.933 176.600 -0.283 0.000 1.008 112 K CA -0.226 55.840 56.287 -0.368 0.000 0.928 112 K CB 0.308 32.494 32.500 -0.523 0.000 0.983 112 K HN 0.570 nan 8.250 nan 0.000 0.484 113 H N 0.258 119.319 119.070 -0.015 0.000 2.508 113 H HA 0.082 4.638 4.556 -0.000 0.000 0.358 113 H C 1.283 176.667 175.328 0.093 0.000 1.212 113 H CA -0.206 55.868 56.048 0.045 0.000 1.356 113 H CB 1.104 30.903 29.762 0.060 0.000 1.525 113 H HN 0.518 nan 8.280 nan 0.000 0.578 114 K N 0.850 121.395 120.400 0.243 0.000 2.074 114 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 114 K C 1.323 178.109 176.600 0.310 0.000 1.048 114 K CA 2.177 58.587 56.287 0.205 0.000 0.926 114 K CB -0.079 32.527 32.500 0.177 0.000 0.713 114 K HN 0.801 nan 8.250 nan 0.000 0.444 115 D N 0.280 120.873 120.400 0.321 0.000 2.144 115 D HA -0.198 4.442 4.640 -0.000 0.000 0.200 115 D C 1.145 177.768 176.300 0.537 0.000 0.978 115 D CA 1.499 55.725 54.000 0.377 0.000 0.833 115 D CB -0.388 40.554 40.800 0.237 0.000 0.961 115 D HN 0.528 nan 8.370 nan 0.000 0.470 116 E N -0.523 119.947 120.200 0.449 0.000 2.299 116 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 116 E C 0.641 177.639 176.600 0.663 0.000 0.998 116 E CA 0.268 56.977 56.400 0.515 0.000 0.851 116 E CB -0.025 29.960 29.700 0.475 0.000 0.795 116 E HN 0.215 nan 8.360 nan 0.000 0.492 117 c N 2.766 121.638 118.600 0.454 0.000 3.089 117 c HA 0.220 4.790 4.570 -0.000 0.000 0.548 117 c C 0.243 174.329 174.090 -0.007 0.000 1.205 117 c CA -0.437 56.056 56.329 0.274 0.000 1.398 117 c CB -2.114 40.468 42.510 0.121 0.000 1.764 117 c HN 0.321 nan 8.230 nan 0.000 0.638 118 H N 0.062 119.246 119.070 0.189 0.000 2.906 118 H HA 0.270 4.826 4.556 -0.000 0.000 0.337 118 H C -0.531 174.655 175.328 -0.235 0.000 1.257 118 H CA -0.707 55.257 56.048 -0.139 0.000 1.192 118 H CB 1.116 30.611 29.762 -0.444 0.000 1.912 118 H HN 0.069 nan 8.280 nan 0.000 0.573 119 N N 1.249 119.774 118.700 -0.292 0.000 2.602 119 N HA 0.115 4.855 4.740 -0.000 0.000 0.238 119 N C -1.445 173.783 175.510 -0.471 0.000 1.084 119 N CA -0.140 52.664 53.050 -0.410 0.000 0.952 119 N CB -0.710 37.398 38.487 -0.632 0.000 1.244 119 N HN 0.238 nan 8.380 nan 0.000 0.512 120 F N 3.535 123.369 119.950 -0.193 0.000 2.411 120 F HA 0.351 4.878 4.527 -0.000 0.000 0.355 120 F C 0.726 176.418 175.800 -0.179 0.000 1.117 120 F CA -0.909 57.006 58.000 -0.143 0.000 1.139 120 F CB 0.712 39.653 39.000 -0.099 0.000 1.120 120 F HN 0.170 nan 8.300 nan 0.000 0.493 121 I N 5.202 125.765 120.570 -0.012 0.000 2.436 121 I HA 0.065 4.234 4.170 -0.000 0.000 0.289 121 I C 0.783 176.909 176.117 0.014 0.000 1.083 121 I CA 0.061 61.333 61.300 -0.046 0.000 1.372 121 I CB 0.727 38.704 38.000 -0.038 0.000 1.408 121 I HN 0.639 nan 8.210 nan 0.000 0.516 122 K N 4.477 124.873 120.400 -0.007 0.000 2.402 122 K HA 0.302 4.622 4.320 -0.000 0.000 0.203 122 K C -0.223 176.394 176.600 0.028 0.000 1.077 122 K CA 0.248 56.544 56.287 0.015 0.000 1.051 122 K CB 1.393 33.891 32.500 -0.004 0.000 0.907 122 K HN 0.343 nan 8.250 nan 0.000 0.554 123 V N 2.004 121.933 119.914 0.025 0.000 2.709 123 V HA 0.431 4.551 4.120 -0.000 0.000 0.308 123 V C -1.395 174.733 176.094 0.056 0.000 1.062 123 V CA -1.048 61.288 62.300 0.061 0.000 0.901 123 V CB 2.347 34.227 31.823 0.095 0.000 1.003 123 V HN 0.033 nan 8.190 nan 0.000 0.425 124 L N 6.691 127.960 121.223 0.076 0.000 2.617 124 L HA 0.666 5.006 4.340 -0.000 0.000 0.259 124 L C -1.695 175.212 176.870 0.062 0.000 0.995 124 L CA 0.148 55.012 54.840 0.041 0.000 0.899 124 L CB 1.136 43.183 42.059 -0.021 0.000 1.181 124 L HN 0.581 nan 8.230 nan 0.000 0.437 125 L N 3.281 124.604 121.223 0.166 0.000 2.381 125 L HA 0.576 4.916 4.340 -0.000 0.000 0.268 125 L C -0.269 176.699 176.870 0.164 0.000 0.997 125 L CA -0.837 54.130 54.840 0.212 0.000 0.818 125 L CB 2.386 44.696 42.059 0.418 0.000 1.310 125 L HN 0.475 nan 8.230 nan 0.000 0.416 126 K N 2.836 123.276 120.400 0.066 0.000 2.276 126 K HA 0.339 4.659 4.320 -0.000 0.000 0.285 126 K C -0.612 175.968 176.600 -0.034 0.000 1.062 126 K CA -0.424 55.861 56.287 -0.002 0.000 0.918 126 K CB 0.775 33.251 32.500 -0.040 0.000 1.055 126 K HN 0.434 nan 8.250 nan 0.000 0.477 127 K N 2.298 122.628 120.400 -0.116 0.000 2.127 127 K HA 0.135 4.455 4.320 -0.000 0.000 0.240 127 K C 0.572 177.053 176.600 -0.199 0.000 1.024 127 K CA -0.588 55.517 56.287 -0.304 0.000 0.918 127 K CB 0.551 32.824 32.500 -0.379 0.000 1.108 127 K HN 0.480 nan 8.250 nan 0.000 0.485 128 N N 1.022 119.590 118.700 -0.220 0.000 2.331 128 N HA -0.139 4.601 4.740 -0.000 0.000 0.180 128 N C 0.597 176.043 175.510 -0.107 0.000 1.019 128 N CA 1.019 53.990 53.050 -0.131 0.000 0.881 128 N CB 0.094 38.513 38.487 -0.113 0.000 0.972 128 N HN 0.558 nan 8.380 nan 0.000 0.435 129 D N -0.388 119.939 120.400 -0.122 0.000 2.336 129 D HA -0.048 4.592 4.640 -0.000 0.000 0.229 129 D C -0.240 175.984 176.300 -0.127 0.000 1.061 129 D CA 0.278 54.216 54.000 -0.104 0.000 0.875 129 D CB -0.182 40.567 40.800 -0.084 0.000 0.904 129 D HN 0.057 nan 8.370 nan 0.000 0.525 130 D N -1.103 119.226 120.400 -0.118 0.000 2.914 130 D HA -0.166 4.474 4.640 -0.000 0.000 0.226 130 D C -0.828 175.393 176.300 -0.131 0.000 1.112 130 D CA 1.222 55.158 54.000 -0.107 0.000 0.778 130 D CB -1.487 39.257 40.800 -0.094 0.000 1.095 130 D HN 0.346 nan 8.370 nan 0.000 0.436 131 T N -0.783 113.694 114.554 -0.129 0.000 2.950 131 T HA 0.696 5.046 4.350 -0.000 0.000 0.288 131 T C 0.096 174.789 174.700 -0.011 0.000 1.035 131 T CA -0.826 61.212 62.100 -0.102 0.000 1.028 131 T CB 0.970 69.754 68.868 -0.139 0.000 1.109 131 T HN 0.160 nan 8.240 nan 0.000 0.514 132 L N 3.175 124.426 121.223 0.047 0.000 2.292 132 L HA 0.499 4.839 4.340 -0.000 0.000 0.284 132 L C -0.578 176.408 176.870 0.193 0.000 1.065 132 L CA -0.917 53.971 54.840 0.079 0.000 0.806 132 L CB 0.870 42.943 42.059 0.023 0.000 1.175 132 L HN 0.604 nan 8.230 nan 0.000 0.431 133 F N 4.299 124.298 119.950 0.082 0.000 2.391 133 F HA 0.519 5.046 4.527 -0.000 0.000 0.359 133 F C -0.435 175.454 175.800 0.148 0.000 1.122 133 F CA -0.462 57.620 58.000 0.138 0.000 1.120 133 F CB 1.043 40.216 39.000 0.289 0.000 1.142 133 F HN 0.023 nan 8.300 nan 0.000 0.483 134 V N 5.752 125.493 119.914 -0.289 0.000 2.531 134 V HA 0.415 4.535 4.120 -0.000 0.000 0.301 134 V C -0.754 175.250 176.094 -0.150 0.000 1.034 134 V CA -0.785 61.458 62.300 -0.095 0.000 0.865 134 V CB 1.467 33.357 31.823 0.110 0.000 0.995 134 V HN 0.899 nan 8.190 nan 0.000 0.424 135 c N 3.327 121.874 118.600 -0.088 0.000 2.507 135 c HA 0.959 5.529 4.570 -0.000 0.000 0.319 135 c C 0.700 174.725 174.090 -0.107 0.000 1.208 135 c CA -0.613 55.678 56.329 -0.065 0.000 1.619 135 c CB 1.141 43.615 42.510 -0.061 0.000 2.230 135 c HN 1.096 nan 8.230 nan 0.000 0.492 136 G N 0.610 109.258 108.800 -0.253 0.000 2.563 136 G HA2 0.530 4.490 3.960 -0.000 0.000 0.302 136 G HA3 0.530 4.490 3.960 -0.000 0.000 0.302 136 G C 0.645 175.354 174.900 -0.319 0.000 1.301 136 G CA 0.237 45.099 45.100 -0.397 0.000 0.965 136 G HN 0.790 nan 8.290 nan 0.000 0.480 137 T N -0.952 113.463 114.554 -0.232 0.000 2.881 137 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 137 T C 1.315 175.882 174.700 -0.222 0.000 1.068 137 T CA 1.046 63.009 62.100 -0.229 0.000 1.131 137 T CB -0.277 68.483 68.868 -0.180 0.000 0.871 137 T HN 1.068 nan 8.240 nan 0.000 0.479 138 N N 1.532 120.081 118.700 -0.252 0.000 2.714 138 N HA -0.233 4.507 4.740 -0.000 0.000 0.253 138 N C 0.344 175.832 175.510 -0.037 0.000 1.024 138 N CA 1.130 54.051 53.050 -0.214 0.000 0.726 138 N CB -1.775 36.596 38.487 -0.193 0.000 0.908 138 N HN 1.289 nan 8.380 nan 0.000 0.542 139 A N 0.483 123.329 122.820 0.043 0.000 2.519 139 A HA -0.136 4.184 4.320 -0.000 0.000 0.297 139 A C 0.901 178.720 177.584 0.392 0.000 1.472 139 A CA 1.030 53.200 52.037 0.222 0.000 0.739 139 A CB -2.444 16.629 19.000 0.122 0.000 1.096 139 A HN 1.411 nan 8.150 nan 0.000 0.414 140 F N -2.592 117.442 119.950 0.141 0.000 3.071 140 F HA -0.172 4.355 4.527 -0.000 0.000 0.295 140 F C 0.550 176.547 175.800 0.328 0.000 0.919 140 F CA 1.533 59.710 58.000 0.294 0.000 1.050 140 F CB -1.542 37.689 39.000 0.385 0.000 1.040 140 F HN 0.959 nan 8.300 nan 0.000 0.692 141 N N -0.094 118.675 118.700 0.116 0.000 2.785 141 N HA 0.315 5.055 4.740 -0.000 0.000 0.224 141 N C -3.044 172.383 175.510 -0.138 0.000 1.448 141 N CA -1.643 51.428 53.050 0.034 0.000 0.748 141 N CB 1.109 39.666 38.487 0.118 0.000 1.385 141 N HN -0.244 nan 8.380 nan 0.000 0.538 142 P HA 0.079 nan 4.420 nan 0.000 0.264 142 P C -0.658 176.564 177.300 -0.129 0.000 1.183 142 P CA 0.357 63.271 63.100 -0.309 0.000 0.763 142 P CB 0.937 32.361 31.700 -0.459 0.000 0.807 143 S N 1.977 117.648 115.700 -0.049 0.000 2.564 143 S HA 0.681 5.151 4.470 -0.000 0.000 0.274 143 S C -1.276 173.445 174.600 0.201 0.000 1.124 143 S CA -0.446 57.827 58.200 0.120 0.000 0.869 143 S CB 0.674 64.023 63.200 0.249 0.000 1.105 143 S HN 0.458 nan 8.310 nan 0.000 0.472 144 c N 2.562 121.282 118.600 0.200 0.000 2.707 144 c HA 0.823 5.393 4.570 -0.000 0.000 0.313 144 c C -0.520 173.489 174.090 -0.135 0.000 1.209 144 c CA -0.805 55.517 56.329 -0.012 0.000 1.635 144 c CB 1.551 43.959 42.510 -0.170 0.000 2.206 144 c HN 0.903 nan 8.230 nan 0.000 0.485 145 R N 1.574 121.847 120.500 -0.379 0.000 2.668 145 R HA 0.376 4.716 4.340 -0.000 0.000 0.272 145 R C -1.598 174.452 176.300 -0.418 0.000 1.019 145 R CA -0.711 55.097 56.100 -0.487 0.000 0.894 145 R CB 1.532 31.445 30.300 -0.645 0.000 1.228 145 R HN 0.667 nan 8.270 nan 0.000 0.460 146 N N 1.312 119.787 118.700 -0.374 0.000 2.529 146 N HA 0.275 5.015 4.740 -0.000 0.000 0.278 146 N C -1.040 174.366 175.510 -0.173 0.000 1.146 146 N CA 0.331 53.331 53.050 -0.082 0.000 0.980 146 N CB 0.665 39.230 38.487 0.130 0.000 1.124 146 N HN 0.368 nan 8.380 nan 0.000 0.458 147 Y N 0.078 120.366 120.300 -0.019 0.000 2.499 147 Y HA 0.365 4.915 4.550 -0.000 0.000 0.347 147 Y C 0.584 176.462 175.900 -0.038 0.000 0.987 147 Y CA -0.935 57.153 58.100 -0.020 0.000 1.044 147 Y CB 1.674 40.113 38.460 -0.035 0.000 1.245 147 Y HN 0.146 nan 8.280 nan 0.000 0.461 148 R N 1.284 121.846 120.500 0.103 0.000 2.442 148 R HA 0.142 4.482 4.340 -0.000 0.000 0.291 148 R C 0.627 176.960 176.300 0.054 0.000 1.069 148 R CA -0.120 55.979 56.100 -0.001 0.000 1.022 148 R CB 0.804 31.096 30.300 -0.012 0.000 0.976 148 R HN 0.615 nan 8.270 nan 0.000 0.443 149 V N 2.860 122.783 119.914 0.015 0.000 2.343 149 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 149 V C 2.011 178.142 176.094 0.062 0.000 1.051 149 V CA 2.295 64.629 62.300 0.056 0.000 1.036 149 V CB -0.522 31.321 31.823 0.033 0.000 0.654 149 V HN 0.879 nan 8.190 nan 0.000 0.451 150 D N 0.762 121.178 120.400 0.028 0.000 2.117 150 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 150 D C 1.869 178.189 176.300 0.033 0.000 0.982 150 D CA 2.205 56.220 54.000 0.024 0.000 0.828 150 D CB -0.629 40.174 40.800 0.006 0.000 0.967 150 D HN 0.573 nan 8.370 nan 0.000 0.464 151 T N -2.770 111.809 114.554 0.042 0.000 2.985 151 T HA 0.280 4.630 4.350 -0.000 0.000 0.254 151 T C 1.346 176.092 174.700 0.076 0.000 1.021 151 T CA -0.203 61.927 62.100 0.049 0.000 0.957 151 T CB -0.146 68.748 68.868 0.043 0.000 1.047 151 T HN 0.213 nan 8.240 nan 0.000 0.511 152 L N 0.826 122.111 121.223 0.104 0.000 3.717 152 L HA -0.130 4.210 4.340 -0.000 0.000 0.414 152 L C -0.691 176.333 176.870 0.258 0.000 1.228 152 L CA 0.353 55.284 54.840 0.151 0.000 0.918 152 L CB -1.428 40.674 42.059 0.070 0.000 1.865 152 L HN 0.440 nan 8.230 nan 0.000 0.922 153 E N 0.307 120.641 120.200 0.223 0.000 2.202 153 E HA 0.439 4.789 4.350 -0.000 0.000 0.272 153 E C 0.581 177.188 176.600 0.011 0.000 0.951 153 E CA 0.005 56.498 56.400 0.154 0.000 0.813 153 E CB 1.515 31.255 29.700 0.066 0.000 1.151 153 E HN 0.241 nan 8.360 nan 0.000 0.398 154 T N -0.709 113.685 114.554 -0.267 0.000 2.906 154 T HA 0.192 4.542 4.350 -0.000 0.000 0.320 154 T C -0.103 174.460 174.700 -0.228 0.000 1.088 154 T CA -0.260 61.465 62.100 -0.627 0.000 1.120 154 T CB 0.111 68.641 68.868 -0.562 0.000 1.000 154 T HN 0.390 nan 8.240 nan 0.000 0.550 155 F N 2.506 122.222 119.950 -0.391 0.000 2.716 155 F HA 0.571 5.098 4.527 -0.000 0.000 0.354 155 F C 0.480 176.173 175.800 -0.178 0.000 1.168 155 F CA 0.617 58.490 58.000 -0.211 0.000 1.045 155 F CB 0.592 39.506 39.000 -0.144 0.000 1.311 155 F HN 1.342 nan 8.300 nan 0.000 0.477 156 G N 4.417 112.885 108.800 -0.554 0.000 2.642 156 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.231 156 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.231 156 G C -1.173 173.584 174.900 -0.238 0.000 1.338 156 G CA -0.371 44.459 45.100 -0.451 0.000 0.883 156 G HN 0.689 nan 8.290 nan 0.000 0.570 157 D N 1.442 121.786 120.400 -0.093 0.000 2.283 157 D HA 0.444 5.084 4.640 -0.000 0.000 0.248 157 D C 0.984 177.337 176.300 0.088 0.000 1.072 157 D CA -0.109 53.888 54.000 -0.006 0.000 0.929 157 D CB 0.772 41.597 40.800 0.041 0.000 1.182 157 D HN 0.538 nan 8.370 nan 0.000 0.433 158 E N 0.188 120.410 120.200 0.037 0.000 2.436 158 E HA 0.060 4.410 4.350 -0.000 0.000 0.262 158 E C -0.449 176.409 176.600 0.430 0.000 1.063 158 E CA 0.261 56.720 56.400 0.098 0.000 0.944 158 E CB 0.457 30.192 29.700 0.058 0.000 0.950 158 E HN 0.176 nan 8.360 nan 0.000 0.444 159 F N 0.220 120.193 119.950 0.038 0.000 2.538 159 F HA 0.178 4.705 4.527 -0.000 0.000 0.325 159 F C 0.527 176.380 175.800 0.089 0.000 1.066 159 F CA -1.541 56.514 58.000 0.091 0.000 0.946 159 F CB 1.403 40.521 39.000 0.196 0.000 1.199 159 F HN 0.318 nan 8.300 nan 0.000 0.473 160 S N -0.153 115.686 115.700 0.230 0.000 2.568 160 S HA 0.367 4.837 4.470 -0.000 0.000 0.282 160 S C 0.799 175.500 174.600 0.169 0.000 1.338 160 S CA 0.016 58.303 58.200 0.145 0.000 1.045 160 S CB 1.011 64.259 63.200 0.080 0.000 0.873 160 S HN 0.903 nan 8.310 nan 0.000 0.516 161 G N 1.185 110.034 108.800 0.080 0.000 3.044 161 G HA2 0.151 4.111 3.960 -0.000 0.000 0.223 161 G HA3 0.151 4.111 3.960 -0.000 0.000 0.223 161 G C 0.291 175.159 174.900 -0.054 0.000 1.123 161 G CA -0.517 44.604 45.100 0.034 0.000 0.765 161 G HN 0.778 nan 8.290 nan 0.000 0.546 162 M N 1.545 121.105 119.600 -0.067 0.000 2.290 162 M HA 0.315 4.795 4.480 -0.000 0.000 0.356 162 M C 1.273 177.462 176.300 -0.185 0.000 1.448 162 M CA 1.141 56.379 55.300 -0.103 0.000 0.993 162 M CB 0.340 32.913 32.600 -0.044 0.000 1.934 162 M HN 0.659 nan 8.290 nan 0.000 0.461 163 A N 3.970 126.669 122.820 -0.201 0.000 3.383 163 A HA -0.245 4.075 4.320 -0.000 0.000 0.264 163 A C 1.206 178.673 177.584 -0.195 0.000 1.154 163 A CA 1.806 53.627 52.037 -0.360 0.000 1.179 163 A CB -1.571 16.820 19.000 -1.016 0.000 1.133 163 A HN 0.962 nan 8.150 nan 0.000 0.933 164 R N -2.244 118.224 120.500 -0.054 0.000 2.344 164 R HA 0.402 4.742 4.340 -0.000 0.000 0.209 164 R C 0.325 176.655 176.300 0.049 0.000 0.886 164 R CA 0.935 57.079 56.100 0.075 0.000 1.040 164 R CB 1.078 31.488 30.300 0.183 0.000 1.114 164 R HN 0.899 nan 8.270 nan 0.000 0.547 165 C N 1.428 120.718 119.300 -0.017 0.000 3.113 165 C HA 0.437 4.897 4.460 -0.000 0.000 0.376 165 C C -2.628 172.305 174.990 -0.094 0.000 1.077 165 C CA -2.064 56.929 59.018 -0.041 0.000 1.253 165 C CB 1.949 29.653 27.740 -0.059 0.000 1.637 165 C HN 0.114 nan 8.230 nan 0.000 0.535 166 P HA 0.174 nan 4.420 nan 0.000 0.273 166 P C -0.201 176.989 177.300 -0.183 0.000 1.250 166 P CA 0.286 63.376 63.100 -0.017 0.000 0.793 166 P CB 0.680 32.395 31.700 0.025 0.000 1.011 167 Y N -1.586 118.555 120.300 -0.265 0.000 2.347 167 Y HA 0.045 4.595 4.550 -0.000 0.000 0.294 167 Y C 1.420 176.668 175.900 -1.087 0.000 1.117 167 Y CA 0.682 58.471 58.100 -0.517 0.000 1.184 167 Y CB 0.269 38.520 38.460 -0.348 0.000 1.047 167 Y HN 0.243 nan 8.280 nan 0.000 0.546 168 D N -0.135 119.828 120.400 -0.729 0.000 2.303 168 D HA 0.306 4.946 4.640 -0.000 0.000 0.236 168 D C 0.694 176.649 176.300 -0.575 0.000 1.068 168 D CA 0.049 53.527 54.000 -0.871 0.000 0.830 168 D CB 1.936 42.148 40.800 -0.980 0.000 1.109 168 D HN 0.170 nan 8.370 nan 0.000 0.496 169 A N 4.593 127.092 122.820 -0.535 0.000 2.024 169 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 169 A C 1.808 179.231 177.584 -0.269 0.000 1.164 169 A CA 1.214 52.977 52.037 -0.458 0.000 0.643 169 A CB -0.187 18.214 19.000 -0.999 0.000 0.806 169 A HN 0.626 nan 8.150 nan 0.000 0.451 170 K N -0.556 119.710 120.400 -0.222 0.000 2.365 170 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 170 K C -0.006 176.692 176.600 0.164 0.000 1.045 170 K CA 0.296 56.573 56.287 -0.017 0.000 0.962 170 K CB -0.136 32.391 32.500 0.044 0.000 0.759 170 K HN 0.728 nan 8.250 nan 0.000 0.469 171 H N -0.386 118.667 119.070 -0.030 0.000 2.551 171 H HA 0.304 4.860 4.556 -0.000 0.000 0.358 171 H C -0.273 175.028 175.328 -0.044 0.000 1.151 171 H CA -0.969 55.069 56.048 -0.017 0.000 1.374 171 H CB 1.130 30.881 29.762 -0.017 0.000 1.473 171 H HN 0.087 nan 8.280 nan 0.000 0.574 172 A N 3.021 125.822 122.820 -0.031 0.000 2.301 172 A HA 0.273 4.593 4.320 -0.000 0.000 0.312 172 A C -0.214 177.369 177.584 -0.001 0.000 1.182 172 A CA -0.771 51.206 52.037 -0.100 0.000 0.826 172 A CB 0.371 19.111 19.000 -0.433 0.000 1.134 172 A HN 0.883 nan 8.150 nan 0.000 0.501 173 N N 1.240 119.978 118.700 0.063 0.000 2.416 173 N HA 0.591 5.331 4.740 -0.000 0.000 0.276 173 N C -1.623 173.942 175.510 0.092 0.000 1.261 173 N CA -0.518 52.588 53.050 0.093 0.000 0.790 173 N CB 1.507 40.034 38.487 0.067 0.000 1.554 173 N HN 0.424 nan 8.380 nan 0.000 0.481 174 I N 0.091 120.700 120.570 0.064 0.000 2.569 174 I HA 0.697 4.867 4.170 -0.000 0.000 0.296 174 I C -0.561 175.610 176.117 0.089 0.000 1.028 174 I CA -0.803 60.555 61.300 0.097 0.000 1.082 174 I CB 1.945 40.038 38.000 0.155 0.000 1.264 174 I HN 0.847 nan 8.210 nan 0.000 0.429 175 A N 6.177 129.052 122.820 0.092 0.000 2.517 175 A HA 0.866 5.186 4.320 -0.000 0.000 0.297 175 A C -1.877 175.740 177.584 0.056 0.000 1.050 175 A CA -0.377 51.707 52.037 0.077 0.000 0.694 175 A CB 1.806 20.856 19.000 0.083 0.000 1.277 175 A HN 0.556 nan 8.150 nan 0.000 0.400 176 L N 1.486 122.721 121.223 0.021 0.000 2.549 176 L HA 0.759 5.099 4.340 -0.000 0.000 0.259 176 L C -2.071 174.805 176.870 0.010 0.000 0.934 176 L CA -0.337 54.527 54.840 0.040 0.000 0.865 176 L CB 1.350 43.429 42.059 0.032 0.000 1.352 176 L HN 0.629 nan 8.230 nan 0.000 0.410 177 F N 3.475 123.499 119.950 0.122 0.000 2.399 177 F HA 0.812 5.339 4.527 -0.000 0.000 0.334 177 F C 0.469 176.345 175.800 0.127 0.000 1.097 177 F CA 0.093 58.166 58.000 0.121 0.000 1.076 177 F CB 2.072 41.094 39.000 0.037 0.000 1.162 177 F HN 0.682 nan 8.300 nan 0.000 0.495 178 A N 2.753 125.828 122.820 0.425 0.000 2.442 178 A HA 0.441 4.761 4.320 -0.000 0.000 0.284 178 A C -0.684 177.058 177.584 0.263 0.000 1.058 178 A CA -0.665 51.530 52.037 0.263 0.000 0.738 178 A CB 0.600 19.677 19.000 0.128 0.000 1.242 178 A HN 0.860 nan 8.150 nan 0.000 0.421 179 D N 1.816 122.310 120.400 0.156 0.000 2.772 179 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 179 D C 1.238 177.606 176.300 0.113 0.000 1.143 179 D CA 2.592 56.657 54.000 0.109 0.000 0.700 179 D CB -1.069 39.792 40.800 0.102 0.000 1.076 179 D HN 2.122 nan 8.370 nan 0.000 0.430 180 G N -0.406 108.467 108.800 0.122 0.000 2.245 180 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.264 180 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.264 180 G C 0.348 175.414 174.900 0.277 0.000 0.985 180 G CA 0.965 46.116 45.100 0.084 0.000 0.625 180 G HN 0.476 nan 8.290 nan 0.000 0.536 181 K N 0.029 120.591 120.400 0.269 0.000 2.174 181 K HA 0.615 4.935 4.320 -0.000 0.000 0.275 181 K C -0.453 176.173 176.600 0.044 0.000 1.015 181 K CA -0.823 55.524 56.287 0.101 0.000 0.933 181 K CB 1.991 34.462 32.500 -0.049 0.000 1.025 181 K HN 0.136 nan 8.250 nan 0.000 0.463 182 L N 3.868 124.932 121.223 -0.266 0.000 2.265 182 L HA 0.279 4.619 4.340 -0.000 0.000 0.289 182 L C -1.476 175.170 176.870 -0.373 0.000 1.033 182 L CA -0.261 54.264 54.840 -0.525 0.000 0.814 182 L CB 0.080 41.741 42.059 -0.664 0.000 1.203 182 L HN 0.413 nan 8.230 nan 0.000 0.423 183 Y N 3.521 123.772 120.300 -0.081 0.000 2.326 183 Y HA 0.624 5.174 4.550 -0.000 0.000 0.337 183 Y C 0.557 176.537 175.900 0.135 0.000 1.023 183 Y CA -0.238 57.944 58.100 0.137 0.000 1.143 183 Y CB 1.587 40.178 38.460 0.219 0.000 1.183 183 Y HN 0.691 nan 8.280 nan 0.000 0.485 184 S N 1.480 117.360 115.700 0.300 0.000 2.546 184 S HA 0.945 5.415 4.470 -0.000 0.000 0.274 184 S C -1.171 173.455 174.600 0.043 0.000 1.121 184 S CA -0.972 57.335 58.200 0.178 0.000 0.887 184 S CB 1.968 65.252 63.200 0.140 0.000 1.094 184 S HN 0.850 nan 8.310 nan 0.000 0.474 185 A N 1.161 123.889 122.820 -0.153 0.000 2.381 185 A HA 0.946 5.266 4.320 -0.000 0.000 0.299 185 A C -0.123 177.172 177.584 -0.482 0.000 1.049 185 A CA -0.391 51.238 52.037 -0.681 0.000 0.715 185 A CB 1.535 19.666 19.000 -1.448 0.000 1.222 185 A HN 1.392 nan 8.150 nan 0.000 0.428 186 T N -0.008 114.401 114.554 -0.240 0.000 2.686 186 T HA 0.489 4.839 4.350 -0.000 0.000 0.289 186 T C -1.500 173.315 174.700 0.192 0.000 1.783 186 T CA 0.477 62.647 62.100 0.116 0.000 0.966 186 T CB 0.270 69.177 68.868 0.064 0.000 2.034 186 T HN 1.863 nan 8.240 nan 0.000 0.436 187 V N 1.307 121.331 119.914 0.183 0.000 2.581 187 V HA 0.742 4.862 4.120 -0.000 0.000 0.303 187 V C 1.405 177.601 176.094 0.169 0.000 1.041 187 V CA 0.335 62.732 62.300 0.161 0.000 0.907 187 V CB 0.932 32.854 31.823 0.166 0.000 0.994 187 V HN 1.144 nan 8.190 nan 0.000 0.442 188 T N -1.129 113.487 114.554 0.103 0.000 3.067 188 T HA 0.062 4.412 4.350 -0.000 0.000 0.257 188 T C 0.368 175.228 174.700 0.268 0.000 1.105 188 T CA 0.713 62.881 62.100 0.113 0.000 1.104 188 T CB -0.409 68.444 68.868 -0.025 0.000 0.925 188 T HN 0.947 nan 8.240 nan 0.000 0.498 189 D N -0.245 120.229 120.400 0.125 0.000 2.340 189 D HA 0.198 4.838 4.640 -0.000 0.000 0.240 189 D C 0.622 176.580 176.300 -0.571 0.000 1.001 189 D CA -1.309 52.650 54.000 -0.069 0.000 0.888 189 D CB 1.148 41.947 40.800 -0.002 0.000 1.310 189 D HN 0.015 nan 8.370 nan 0.000 0.474 190 F N 0.924 120.362 119.950 -0.853 0.000 2.147 190 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 190 F C 1.592 177.195 175.800 -0.328 0.000 1.084 190 F CA 1.445 58.954 58.000 -0.818 0.000 1.268 190 F CB 0.033 38.833 39.000 -0.334 0.000 1.009 190 F HN 0.311 nan 8.300 nan 0.000 0.486 191 L N 0.261 121.473 121.223 -0.017 0.000 2.599 191 L HA 0.197 4.537 4.340 -0.000 0.000 0.230 191 L C 1.500 178.361 176.870 -0.015 0.000 1.141 191 L CA 0.464 55.310 54.840 0.010 0.000 0.877 191 L CB -0.829 41.282 42.059 0.087 0.000 1.009 191 L HN 0.289 nan 8.230 nan 0.000 0.447 192 A N -0.196 122.599 122.820 -0.042 0.000 2.832 192 A HA -0.224 4.096 4.320 -0.000 0.000 0.280 192 A C 1.195 178.801 177.584 0.035 0.000 1.464 192 A CA 0.898 52.956 52.037 0.035 0.000 0.804 192 A CB -1.807 17.273 19.000 0.133 0.000 1.020 192 A HN 0.299 nan 8.150 nan 0.000 0.563 193 I N -0.234 120.362 120.570 0.043 0.000 3.035 193 I HA 0.073 4.243 4.170 -0.000 0.000 0.271 193 I C 1.050 177.221 176.117 0.090 0.000 1.190 193 I CA 1.340 62.680 61.300 0.066 0.000 1.472 193 I CB -0.487 37.565 38.000 0.086 0.000 1.116 193 I HN 0.500 nan 8.210 nan 0.000 0.443 194 D N 2.112 122.555 120.400 0.071 0.000 2.557 194 D HA 0.374 5.014 4.640 -0.000 0.000 0.236 194 D C 0.144 176.472 176.300 0.046 0.000 1.154 194 D CA -0.200 53.825 54.000 0.040 0.000 0.985 194 D CB 0.268 41.056 40.800 -0.020 0.000 1.010 194 D HN 0.124 nan 8.370 nan 0.000 0.516 195 A N 1.781 124.644 122.820 0.072 0.000 2.462 195 A HA 0.515 4.835 4.320 -0.000 0.000 0.243 195 A C -0.198 177.462 177.584 0.127 0.000 1.076 195 A CA -0.307 51.814 52.037 0.139 0.000 0.773 195 A CB 0.907 19.971 19.000 0.106 0.000 1.010 195 A HN 0.433 nan 8.150 nan 0.000 0.493 196 V N 3.124 123.128 119.914 0.150 0.000 3.087 196 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 196 V C -1.206 174.821 176.094 -0.112 0.000 1.187 196 V CA -0.656 61.662 62.300 0.030 0.000 0.999 196 V CB 2.077 33.896 31.823 -0.007 0.000 1.049 196 V HN 0.771 nan 8.190 nan 0.000 0.431 197 I N 5.560 126.051 120.570 -0.130 0.000 2.382 197 I HA 0.467 4.636 4.170 -0.000 0.000 0.286 197 I C -1.435 174.813 176.117 0.219 0.000 1.002 197 I CA -0.535 60.599 61.300 -0.278 0.000 1.135 197 I CB 1.544 39.109 38.000 -0.726 0.000 1.288 197 I HN 0.692 nan 8.210 nan 0.000 0.448 198 Y N 7.129 127.474 120.300 0.076 0.000 2.536 198 Y HA 0.680 5.230 4.550 -0.000 0.000 0.347 198 Y C -0.888 175.075 175.900 0.106 0.000 1.000 198 Y CA -0.952 57.198 58.100 0.084 0.000 1.051 198 Y CB 1.780 40.224 38.460 -0.027 0.000 1.259 198 Y HN 0.469 nan 8.280 nan 0.000 0.468 199 R N 2.946 123.047 120.500 -0.665 0.000 2.651 199 R HA 0.749 5.089 4.340 -0.000 0.000 0.278 199 R C -1.784 173.993 176.300 -0.871 0.000 1.010 199 R CA -0.361 55.349 56.100 -0.650 0.000 0.896 199 R CB 1.730 31.692 30.300 -0.563 0.000 1.211 199 R HN 0.912 nan 8.270 nan 0.000 0.456 200 S N 2.685 118.056 115.700 -0.547 0.000 2.611 200 S HA 0.597 5.067 4.470 -0.000 0.000 0.268 200 S C -0.708 173.772 174.600 -0.200 0.000 1.156 200 S CA -0.813 57.170 58.200 -0.362 0.000 0.817 200 S CB 1.094 64.172 63.200 -0.203 0.000 1.122 200 S HN 0.725 nan 8.310 nan 0.000 0.466 201 L N -0.433 120.723 121.223 -0.111 0.000 1.485 201 L HA 0.059 4.399 4.340 -0.000 0.000 0.352 201 L C 1.103 177.956 176.870 -0.029 0.000 1.031 201 L CA 0.626 55.451 54.840 -0.026 0.000 1.221 201 L CB -1.334 40.762 42.059 0.062 0.000 0.496 201 L HN 2.292 nan 8.230 nan 0.000 0.226 202 G N -0.246 108.570 108.800 0.026 0.000 2.160 202 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.251 202 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.251 202 G C 0.225 175.116 174.900 -0.014 0.000 1.008 202 G CA 1.190 46.301 45.100 0.019 0.000 0.724 202 G HN 1.242 nan 8.290 nan 0.000 0.514 203 D N -1.029 119.356 120.400 -0.025 0.000 2.697 203 D HA -0.134 4.506 4.640 -0.000 0.000 0.235 203 D C 0.331 176.600 176.300 -0.051 0.000 1.167 203 D CA 1.725 55.703 54.000 -0.037 0.000 0.656 203 D CB -1.147 39.638 40.800 -0.024 0.000 1.025 203 D HN 0.840 nan 8.370 nan 0.000 0.419 204 S N -0.404 115.250 115.700 -0.076 0.000 2.579 204 S HA 0.653 5.123 4.470 -0.000 0.000 0.272 204 S C -2.527 171.988 174.600 -0.141 0.000 1.141 204 S CA -1.209 56.934 58.200 -0.096 0.000 0.843 204 S CB 2.213 65.359 63.200 -0.090 0.000 1.122 204 S HN -0.033 nan 8.310 nan 0.000 0.468 205 P HA 0.096 nan 4.420 nan 0.000 0.266 205 P C -0.195 176.933 177.300 -0.287 0.000 1.193 205 P CA -0.027 62.958 63.100 -0.191 0.000 0.770 205 P CB 0.023 31.615 31.700 -0.181 0.000 0.836 206 T N 1.287 115.660 114.554 -0.301 0.000 2.869 206 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 206 T C -0.281 174.108 174.700 -0.518 0.000 0.987 206 T CA -0.512 61.314 62.100 -0.457 0.000 1.109 206 T CB -0.027 68.630 68.868 -0.352 0.000 0.932 206 T HN 0.169 nan 8.240 nan 0.000 0.518 207 L N 3.106 123.865 121.223 -0.773 0.000 2.388 207 L HA 0.757 5.097 4.340 -0.000 0.000 0.264 207 L C 0.024 176.390 176.870 -0.840 0.000 0.998 207 L CA -1.313 53.010 54.840 -0.863 0.000 0.817 207 L CB 2.426 43.697 42.059 -1.314 0.000 1.338 207 L HN 0.908 nan 8.230 nan 0.000 0.414 208 R N -0.842 119.325 120.500 -0.556 0.000 2.799 208 R HA 0.696 5.036 4.340 -0.000 0.000 0.270 208 R C -0.883 175.410 176.300 -0.012 0.000 1.010 208 R CA -0.824 55.182 56.100 -0.157 0.000 0.916 208 R CB 1.349 31.690 30.300 0.068 0.000 1.228 208 R HN 0.542 nan 8.270 nan 0.000 0.469 209 T N -0.759 113.911 114.554 0.194 0.000 2.898 209 T HA 0.216 4.566 4.350 -0.000 0.000 0.301 209 T C 0.594 175.096 174.700 -0.330 0.000 1.049 209 T CA -0.812 61.340 62.100 0.086 0.000 1.095 209 T CB 0.946 69.830 68.868 0.026 0.000 0.976 209 T HN 0.320 nan 8.240 nan 0.000 0.539 210 V N 3.364 122.719 119.914 -0.932 0.000 2.493 210 V HA 0.081 4.201 4.120 -0.000 0.000 0.292 210 V C 1.167 176.989 176.094 -0.452 0.000 1.016 210 V CA -0.219 61.594 62.300 -0.813 0.000 1.097 210 V CB -0.069 31.033 31.823 -1.202 0.000 0.947 210 V HN 0.836 nan 8.190 nan 0.000 0.479 211 K N 4.130 124.335 120.400 -0.324 0.000 2.484 211 K HA 0.023 4.343 4.320 -0.000 0.000 0.280 211 K C 0.740 177.223 176.600 -0.196 0.000 1.013 211 K CA 0.308 56.410 56.287 -0.308 0.000 1.029 211 K CB -0.206 32.064 32.500 -0.383 0.000 0.902 211 K HN 0.937 nan 8.250 nan 0.000 0.481 212 H N 0.313 119.342 119.070 -0.068 0.000 3.080 212 H HA -0.191 4.365 4.556 -0.000 0.000 0.254 212 H C -0.599 174.710 175.328 -0.030 0.000 1.179 212 H CA 0.595 56.621 56.048 -0.037 0.000 1.144 212 H CB -0.495 29.246 29.762 -0.036 0.000 1.261 212 H HN 0.558 nan 8.280 nan 0.000 0.333 213 D N 0.229 120.658 120.400 0.049 0.000 2.467 213 D HA 0.217 4.857 4.640 -0.000 0.000 0.220 213 D C 0.763 177.170 176.300 0.177 0.000 1.103 213 D CA 0.036 54.072 54.000 0.059 0.000 0.886 213 D CB 0.931 41.664 40.800 -0.111 0.000 1.025 213 D HN 0.189 nan 8.370 nan 0.000 0.514 214 S N 2.695 118.493 115.700 0.163 0.000 2.440 214 S HA -0.154 4.316 4.470 -0.000 0.000 0.238 214 S C 1.693 176.431 174.600 0.229 0.000 1.010 214 S CA 0.974 59.277 58.200 0.172 0.000 0.972 214 S CB 0.211 63.485 63.200 0.124 0.000 0.774 214 S HN 0.508 nan 8.310 nan 0.000 0.501 215 K N -0.470 120.105 120.400 0.291 0.000 2.148 215 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 215 K C 1.656 178.486 176.600 0.384 0.000 1.050 215 K CA 1.158 57.636 56.287 0.317 0.000 0.942 215 K CB -0.097 32.602 32.500 0.331 0.000 0.724 215 K HN 0.394 nan 8.250 nan 0.000 0.446 216 W N 0.685 122.101 121.300 0.193 0.000 2.488 216 W HA 0.177 4.837 4.660 -0.000 0.000 0.304 216 W C 0.394 177.081 176.519 0.280 0.000 1.175 216 W CA 0.401 57.919 57.345 0.288 0.000 1.365 216 W CB 0.137 29.665 29.460 0.113 0.000 1.131 216 W HN -0.146 nan 8.180 nan 0.000 0.520 217 L N 0.373 121.825 121.223 0.381 0.000 2.493 217 L HA 0.341 4.681 4.340 -0.000 0.000 0.265 217 L C -0.734 176.238 176.870 0.170 0.000 0.954 217 L CA -1.004 53.980 54.840 0.240 0.000 0.844 217 L CB 2.167 44.301 42.059 0.125 0.000 1.302 217 L HN -0.458 nan 8.230 nan 0.000 0.405 218 K N 2.927 123.413 120.400 0.143 0.000 2.646 218 K HA 0.347 4.667 4.320 -0.000 0.000 0.210 218 K C -0.623 176.007 176.600 0.051 0.000 1.020 218 K CA -0.216 56.126 56.287 0.092 0.000 1.040 218 K CB 0.462 33.012 32.500 0.084 0.000 1.253 218 K HN 0.496 nan 8.250 nan 0.000 0.532 219 E N 2.461 122.674 120.200 0.023 0.000 2.230 219 E HA -0.178 4.172 4.350 -0.000 0.000 0.206 219 E C -2.189 174.386 176.600 -0.042 0.000 1.309 219 E CA 0.225 56.617 56.400 -0.013 0.000 0.697 219 E CB -1.064 28.634 29.700 -0.005 0.000 1.146 219 E HN 0.518 nan 8.360 nan 0.000 0.363 220 P HA 0.040 nan 4.420 nan 0.000 0.274 220 P C -0.996 176.096 177.300 -0.348 0.000 1.237 220 P CA 0.056 63.014 63.100 -0.238 0.000 0.793 220 P CB 0.499 31.820 31.700 -0.632 0.000 0.977 221 Y N 1.600 121.712 120.300 -0.313 0.000 2.326 221 Y HA 0.444 4.994 4.550 -0.000 0.000 0.329 221 Y C -0.968 174.869 175.900 -0.104 0.000 0.973 221 Y CA -1.056 56.903 58.100 -0.235 0.000 1.162 221 Y CB 0.642 39.069 38.460 -0.056 0.000 1.147 221 Y HN 0.083 nan 8.280 nan 0.000 0.456 222 F N 5.581 125.469 119.950 -0.104 0.000 2.427 222 F HA 0.303 4.830 4.527 -0.000 0.000 0.352 222 F C 0.535 176.389 175.800 0.090 0.000 1.100 222 F CA -0.232 57.811 58.000 0.072 0.000 1.191 222 F CB 1.043 40.050 39.000 0.012 0.000 1.128 222 F HN 0.370 nan 8.300 nan 0.000 0.533 223 V N 0.676 120.874 119.914 0.474 0.000 3.013 223 V HA 0.179 4.299 4.120 -0.000 0.000 0.238 223 V C -0.247 176.010 176.094 0.272 0.000 1.161 223 V CA 0.309 62.814 62.300 0.342 0.000 1.170 223 V CB 0.421 32.438 31.823 0.324 0.000 0.917 223 V HN 0.735 nan 8.190 nan 0.000 0.478 224 Q N -1.028 118.980 119.800 0.346 0.000 2.617 224 Q HA 0.648 4.988 4.340 -0.000 0.000 0.270 224 Q C -1.716 174.485 176.000 0.335 0.000 0.967 224 Q CA 0.348 56.304 55.803 0.255 0.000 0.887 224 Q CB 1.796 30.606 28.738 0.120 0.000 1.516 224 Q HN 0.397 nan 8.270 nan 0.000 0.395 225 A N 1.583 124.492 122.820 0.148 0.000 2.401 225 A HA 0.905 5.225 4.320 -0.000 0.000 0.310 225 A C -1.027 176.566 177.584 0.016 0.000 1.075 225 A CA -0.052 51.959 52.037 -0.042 0.000 0.746 225 A CB 1.471 20.167 19.000 -0.506 0.000 1.277 225 A HN 1.302 nan 8.150 nan 0.000 0.425 226 V N -0.877 119.080 119.914 0.071 0.000 2.914 226 V HA 0.746 4.865 4.120 -0.000 0.000 0.314 226 V C -0.961 175.170 176.094 0.061 0.000 1.084 226 V CA -0.830 61.528 62.300 0.096 0.000 0.963 226 V CB 2.005 33.941 31.823 0.187 0.000 1.025 226 V HN 0.810 nan 8.190 nan 0.000 0.432 227 D N 1.834 122.279 120.400 0.075 0.000 2.317 227 D HA 0.433 5.073 4.640 -0.000 0.000 0.234 227 D C -1.652 174.796 176.300 0.246 0.000 1.112 227 D CA 0.055 54.096 54.000 0.068 0.000 0.840 227 D CB 1.123 41.935 40.800 0.019 0.000 1.078 227 D HN 0.760 nan 8.370 nan 0.000 0.486 228 Y N 3.621 124.000 120.300 0.132 0.000 2.313 228 Y HA 0.428 4.978 4.550 -0.000 0.000 0.320 228 Y C 0.465 176.504 175.900 0.232 0.000 1.171 228 Y CA 0.461 58.678 58.100 0.195 0.000 1.093 228 Y CB 1.006 39.620 38.460 0.256 0.000 1.224 228 Y HN 0.673 nan 8.280 nan 0.000 0.421 229 G N 4.489 113.126 108.800 -0.272 0.000 2.531 229 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.274 229 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.274 229 G C 0.296 175.132 174.900 -0.106 0.000 1.159 229 G CA 0.562 45.551 45.100 -0.186 0.000 0.969 229 G HN 0.584 nan 8.290 nan 0.000 0.554 230 D N 0.663 120.956 120.400 -0.178 0.000 2.340 230 D HA 0.283 4.923 4.640 -0.000 0.000 0.220 230 D C 0.343 176.266 176.300 -0.629 0.000 1.039 230 D CA 0.950 54.681 54.000 -0.449 0.000 0.866 230 D CB 0.066 40.475 40.800 -0.651 0.000 0.913 230 D HN 0.378 nan 8.370 nan 0.000 0.523 231 Y N -0.323 119.910 120.300 -0.111 0.000 2.602 231 Y HA 0.409 4.959 4.550 -0.000 0.000 0.342 231 Y C 0.259 175.947 175.900 -0.354 0.000 1.029 231 Y CA -1.312 56.605 58.100 -0.304 0.000 1.080 231 Y CB 1.622 39.691 38.460 -0.651 0.000 1.284 231 Y HN -0.308 nan 8.280 nan 0.000 0.485 232 I N 1.960 122.349 120.570 -0.301 0.000 2.412 232 I HA 0.246 4.416 4.170 -0.000 0.000 0.296 232 I C -1.053 174.752 176.117 -0.520 0.000 0.987 232 I CA -1.371 59.670 61.300 -0.431 0.000 1.180 232 I CB 0.753 38.334 38.000 -0.698 0.000 1.340 232 I HN 0.565 nan 8.210 nan 0.000 0.455 233 Y N 5.223 125.366 120.300 -0.262 0.000 2.335 233 Y HA 0.466 5.016 4.550 -0.000 0.000 0.338 233 Y C -0.360 175.303 175.900 -0.395 0.000 0.977 233 Y CA -0.491 57.447 58.100 -0.270 0.000 1.114 233 Y CB 1.538 39.858 38.460 -0.234 0.000 1.182 233 Y HN 0.279 nan 8.280 nan 0.000 0.463 234 F N 3.714 123.629 119.950 -0.058 0.000 2.427 234 F HA 0.503 5.030 4.527 -0.000 0.000 0.346 234 F C -0.769 175.057 175.800 0.043 0.000 1.120 234 F CA -0.842 57.224 58.000 0.111 0.000 1.033 234 F CB 0.740 39.871 39.000 0.218 0.000 1.126 234 F HN 0.268 nan 8.300 nan 0.000 0.462 235 F N 4.596 124.830 119.950 0.472 0.000 2.436 235 F HA 0.676 5.203 4.527 -0.000 0.000 0.340 235 F C -0.294 175.800 175.800 0.489 0.000 1.113 235 F CA -0.998 57.186 58.000 0.306 0.000 1.022 235 F CB 1.284 40.357 39.000 0.121 0.000 1.128 235 F HN 0.374 nan 8.300 nan 0.000 0.466 236 F N 0.380 120.548 119.950 0.363 0.000 2.858 236 F HA 0.715 5.242 4.527 -0.000 0.000 0.319 236 F C -1.715 174.210 175.800 0.209 0.000 1.166 236 F CA -1.753 56.430 58.000 0.305 0.000 0.899 236 F CB 1.430 40.643 39.000 0.355 0.000 1.332 236 F HN 0.448 nan 8.300 nan 0.000 0.461 237 R N 0.787 121.483 120.500 0.328 0.000 2.854 237 R HA 0.880 5.220 4.340 -0.000 0.000 0.271 237 R C -1.679 174.776 176.300 0.259 0.000 0.996 237 R CA -0.663 55.540 56.100 0.172 0.000 0.961 237 R CB 2.775 33.149 30.300 0.124 0.000 1.182 237 R HN 0.952 nan 8.270 nan 0.000 0.479 238 E N 1.654 121.951 120.200 0.162 0.000 2.437 238 E HA 0.321 4.671 4.350 -0.000 0.000 0.280 238 E C -0.955 175.668 176.600 0.039 0.000 1.044 238 E CA -1.046 55.439 56.400 0.141 0.000 0.826 238 E CB 1.159 31.018 29.700 0.265 0.000 1.358 238 E HN 0.438 nan 8.360 nan 0.000 0.459 239 I N 1.333 121.903 120.570 0.001 0.000 2.533 239 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 239 I C 0.229 176.277 176.117 -0.115 0.000 1.109 239 I CA -0.280 60.976 61.300 -0.073 0.000 1.412 239 I CB 0.676 38.646 38.000 -0.051 0.000 1.396 239 I HN 0.635 nan 8.210 nan 0.000 0.543 240 A N 6.476 129.130 122.820 -0.276 0.000 2.354 240 A HA 0.352 4.672 4.320 -0.000 0.000 0.281 240 A C 1.086 178.490 177.584 -0.301 0.000 1.174 240 A CA -0.614 51.186 52.037 -0.396 0.000 0.828 240 A CB 0.729 19.092 19.000 -1.062 0.000 1.099 240 A HN 0.756 nan 8.150 nan 0.000 0.516 241 V N 1.188 120.945 119.914 -0.261 0.000 2.548 241 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 241 V C 1.571 177.418 176.094 -0.411 0.000 1.055 241 V CA 2.186 64.351 62.300 -0.226 0.000 1.065 241 V CB -1.127 30.598 31.823 -0.163 0.000 0.681 241 V HN 0.801 nan 8.190 nan 0.000 0.462 242 E N -0.172 119.597 120.200 -0.718 0.000 2.204 242 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 242 E C 1.124 177.554 176.600 -0.284 0.000 0.989 242 E CA 1.214 57.138 56.400 -0.793 0.000 0.824 242 E CB -0.345 29.033 29.700 -0.537 0.000 0.756 242 E HN 0.812 nan 8.360 nan 0.000 0.477 243 Y N 1.006 121.091 120.300 -0.359 0.000 2.696 243 Y HA 0.260 4.810 4.550 -0.000 0.000 0.378 243 Y C -0.111 175.673 175.900 -0.193 0.000 1.012 243 Y CA -0.996 56.940 58.100 -0.273 0.000 1.396 243 Y CB -0.025 38.147 38.460 -0.480 0.000 1.415 243 Y HN -0.070 nan 8.280 nan 0.000 0.569 248 K N 0.839 121.206 120.400 -0.055 0.000 2.382 248 K HA 0.374 4.694 4.320 -0.000 0.000 0.286 248 K C -0.280 176.232 176.600 -0.146 0.000 1.062 248 K CA 0.029 56.264 56.287 -0.087 0.000 1.000 248 K CB 1.084 33.543 32.500 -0.069 0.000 0.954 248 K HN 0.208 nan 8.250 nan 0.000 0.470 249 V N 4.418 124.198 119.914 -0.223 0.000 2.487 249 V HA 0.194 4.314 4.120 -0.000 0.000 0.298 249 V C -0.180 175.710 176.094 -0.339 0.000 1.028 249 V CA -1.009 61.093 62.300 -0.331 0.000 0.860 249 V CB 1.940 33.423 31.823 -0.567 0.000 0.991 249 V HN 0.395 nan 8.190 nan 0.000 0.427 250 V N 5.601 125.390 119.914 -0.209 0.000 2.498 250 V HA 0.467 4.587 4.120 -0.000 0.000 0.279 250 V C -0.381 175.762 176.094 0.081 0.000 1.048 250 V CA -0.231 62.006 62.300 -0.105 0.000 0.967 250 V CB 1.183 32.957 31.823 -0.081 0.000 0.988 250 V HN 0.563 nan 8.190 nan 0.000 0.473 251 F N 5.545 125.434 119.950 -0.102 0.000 2.538 251 F HA 0.644 5.171 4.527 -0.000 0.000 0.325 251 F C -2.266 173.490 175.800 -0.073 0.000 1.066 251 F CA -3.118 54.818 58.000 -0.107 0.000 0.946 251 F CB 2.298 41.214 39.000 -0.141 0.000 1.199 251 F HN 0.287 nan 8.300 nan 0.000 0.473 252 P HA 0.363 nan 4.420 nan 0.000 0.290 252 P C -0.761 176.471 177.300 -0.112 0.000 1.276 252 P CA -0.489 62.645 63.100 0.056 0.000 0.808 252 P CB 1.472 33.343 31.700 0.286 0.000 0.966 253 R N 1.436 121.743 120.500 -0.321 0.000 2.807 253 R HA 0.678 5.018 4.340 -0.000 0.000 0.276 253 R C -1.136 174.866 176.300 -0.497 0.000 0.979 253 R CA -1.160 54.626 56.100 -0.523 0.000 0.928 253 R CB 2.312 32.019 30.300 -0.988 0.000 1.191 253 R HN 0.316 nan 8.270 nan 0.000 0.471 254 V N 0.875 120.578 119.914 -0.351 0.000 2.540 254 V HA 0.815 4.935 4.120 -0.000 0.000 0.302 254 V C -0.987 175.093 176.094 -0.024 0.000 1.035 254 V CA -0.503 61.600 62.300 -0.329 0.000 0.873 254 V CB 1.677 33.249 31.823 -0.417 0.000 0.992 254 V HN 0.928 nan 8.190 nan 0.000 0.428 255 A N 5.677 128.549 122.820 0.087 0.000 2.380 255 A HA 0.894 5.214 4.320 -0.000 0.000 0.315 255 A C -0.786 176.732 177.584 -0.111 0.000 1.101 255 A CA -0.775 51.287 52.037 0.041 0.000 0.771 255 A CB 1.859 20.940 19.000 0.135 0.000 1.287 255 A HN 1.005 nan 8.150 nan 0.000 0.436 256 Q N -0.003 119.438 119.800 -0.597 0.000 2.301 256 Q HA 0.786 5.125 4.340 -0.000 0.000 0.267 256 Q C -0.631 175.097 176.000 -0.452 0.000 1.035 256 Q CA -0.912 54.436 55.803 -0.758 0.000 0.856 256 Q CB 2.016 29.946 28.738 -1.346 0.000 1.337 256 Q HN 1.222 nan 8.270 nan 0.000 0.450 257 V N -2.091 117.650 119.914 -0.289 0.000 3.007 257 V HA 0.612 4.732 4.120 -0.000 0.000 0.311 257 V C -0.657 175.492 176.094 0.092 0.000 1.120 257 V CA -1.071 61.149 62.300 -0.134 0.000 0.980 257 V CB 1.626 33.208 31.823 -0.403 0.000 1.033 257 V HN 1.064 nan 8.190 nan 0.000 0.429 258 c N 3.689 122.409 118.600 0.200 0.000 2.482 258 c HA 0.319 4.889 4.570 -0.000 0.000 0.378 258 c C 2.020 176.205 174.090 0.158 0.000 1.284 258 c CA -0.223 56.169 56.329 0.106 0.000 1.826 258 c CB -0.273 42.311 42.510 0.123 0.000 2.473 258 c HN 1.086 nan 8.230 nan 0.000 0.562 259 K N 2.349 122.777 120.400 0.045 0.000 2.228 259 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 259 K C 1.369 178.071 176.600 0.169 0.000 1.045 259 K CA 1.760 58.139 56.287 0.153 0.000 0.931 259 K CB -0.014 32.509 32.500 0.038 0.000 0.727 259 K HN 0.797 nan 8.250 nan 0.000 0.458 260 N N 0.026 118.782 118.700 0.093 0.000 2.235 260 N HA -0.055 4.684 4.740 -0.000 0.000 0.209 260 N C -0.331 175.223 175.510 0.073 0.000 1.122 260 N CA -0.040 53.049 53.050 0.066 0.000 0.845 260 N CB 0.045 38.545 38.487 0.022 0.000 1.004 260 N HN -0.065 nan 8.380 nan 0.000 0.499 261 D N 1.050 121.540 120.400 0.150 0.000 2.533 261 D HA -0.063 4.577 4.640 -0.000 0.000 0.236 261 D C 0.540 176.857 176.300 0.028 0.000 1.137 261 D CA 0.329 54.421 54.000 0.154 0.000 0.867 261 D CB 0.712 41.727 40.800 0.359 0.000 1.170 261 D HN 0.058 nan 8.370 nan 0.000 0.474 262 M N 2.018 121.596 119.600 -0.036 0.000 2.347 262 M HA 0.235 4.715 4.480 -0.000 0.000 0.302 262 M C 0.910 177.146 176.300 -0.107 0.000 1.051 262 M CA -0.084 55.162 55.300 -0.090 0.000 0.988 262 M CB -0.107 32.434 32.600 -0.098 0.000 1.475 262 M HN 0.577 nan 8.290 nan 0.000 0.530 263 G N 0.240 108.997 108.800 -0.073 0.000 2.710 263 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.668 263 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.668 263 G C -0.024 174.868 174.900 -0.013 0.000 1.320 263 G CA -0.700 44.365 45.100 -0.057 0.000 0.860 263 G HN 0.508 nan 8.290 nan 0.000 0.538 264 G N -0.508 108.304 108.800 0.021 0.000 2.485 264 G HA2 0.744 4.704 3.960 -0.000 0.000 0.260 264 G HA3 0.744 4.704 3.960 -0.000 0.000 0.260 264 G C 1.000 175.913 174.900 0.022 0.000 1.459 264 G CA 1.289 46.425 45.100 0.061 0.000 1.060 264 G HN 2.218 nan 8.290 nan 0.000 0.546 265 S N -2.173 113.555 115.700 0.047 0.000 2.719 265 S HA 0.201 4.671 4.470 -0.000 0.000 0.285 265 S C 1.263 175.874 174.600 0.019 0.000 1.137 265 S CA 0.125 58.344 58.200 0.032 0.000 1.012 265 S CB 1.380 64.615 63.200 0.058 0.000 1.134 265 S HN 0.654 nan 8.310 nan 0.000 0.544 266 Q N 0.367 120.176 119.800 0.015 0.000 2.297 266 Q HA -0.139 4.201 4.340 -0.000 0.000 0.208 266 Q C 1.865 177.871 176.000 0.011 0.000 0.981 266 Q CA 1.515 57.322 55.803 0.007 0.000 0.876 266 Q CB -0.073 28.669 28.738 0.007 0.000 0.921 266 Q HN 0.773 nan 8.270 nan 0.000 0.446 267 R N -1.928 118.586 120.500 0.023 0.000 2.469 267 R HA 0.233 4.573 4.340 -0.000 0.000 0.250 267 R C -0.375 175.945 176.300 0.034 0.000 0.909 267 R CA 0.012 56.127 56.100 0.025 0.000 1.050 267 R CB 0.907 31.224 30.300 0.029 0.000 1.256 267 R HN -0.037 nan 8.270 nan 0.000 0.550 268 V N 2.546 122.489 119.914 0.048 0.000 2.525 268 V HA 0.292 4.412 4.120 -0.000 0.000 0.299 268 V C 0.480 176.618 176.094 0.073 0.000 1.034 268 V CA -0.948 61.391 62.300 0.065 0.000 0.863 268 V CB 1.768 33.647 31.823 0.093 0.000 0.999 268 V HN 0.290 nan 8.190 nan 0.000 0.423 269 L N 2.482 123.740 121.223 0.058 0.000 3.843 269 L HA -0.262 4.078 4.340 -0.000 0.000 0.411 269 L C 1.956 178.838 176.870 0.021 0.000 1.205 269 L CA 1.109 55.983 54.840 0.056 0.000 0.945 269 L CB -1.037 41.117 42.059 0.159 0.000 1.929 269 L HN 0.939 nan 8.230 nan 0.000 0.934 270 E N 1.393 121.590 120.200 -0.004 0.000 2.108 270 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 270 E C 1.253 177.819 176.600 -0.057 0.000 1.022 270 E CA 2.018 58.404 56.400 -0.024 0.000 0.823 270 E CB 0.113 29.796 29.700 -0.029 0.000 0.744 270 E HN 0.520 nan 8.360 nan 0.000 0.456 271 K N 0.049 120.400 120.400 -0.082 0.000 2.726 271 K HA 0.172 4.492 4.320 -0.000 0.000 0.209 271 K C -0.578 175.914 176.600 -0.180 0.000 1.082 271 K CA -0.094 56.115 56.287 -0.130 0.000 1.081 271 K CB 1.065 33.493 32.500 -0.119 0.000 0.830 271 K HN 0.078 nan 8.250 nan 0.000 0.470 272 Q N -0.824 118.895 119.800 -0.134 0.000 2.445 272 Q HA 0.352 4.692 4.340 -0.000 0.000 0.281 272 Q C -0.993 175.000 176.000 -0.011 0.000 1.101 272 Q CA -0.736 54.987 55.803 -0.134 0.000 0.833 272 Q CB 1.028 29.712 28.738 -0.091 0.000 1.416 272 Q HN 0.075 nan 8.270 nan 0.000 0.451 273 W N 0.484 121.898 121.300 0.190 0.000 2.209 273 W HA 0.078 4.738 4.660 -0.000 0.000 0.344 273 W C 1.103 177.825 176.519 0.338 0.000 1.285 273 W CA 0.819 58.326 57.345 0.269 0.000 1.267 273 W CB 0.477 30.147 29.460 0.349 0.000 1.167 273 W HN 0.706 nan 8.180 nan 0.000 0.574 274 T N -2.803 112.075 114.554 0.540 0.000 3.084 274 T HA 0.100 4.450 4.350 -0.000 0.000 0.270 274 T C 0.736 175.677 174.700 0.400 0.000 1.008 274 T CA 0.186 62.556 62.100 0.450 0.000 0.900 274 T CB -0.252 68.876 68.868 0.434 0.000 1.084 274 T HN 0.370 nan 8.240 nan 0.000 0.538 275 S N -0.167 115.773 115.700 0.400 0.000 2.847 275 S HA 0.370 4.840 4.470 -0.000 0.000 0.254 275 S C -0.185 174.468 174.600 0.089 0.000 1.039 275 S CA -0.709 57.636 58.200 0.242 0.000 1.113 275 S CB -0.600 62.758 63.200 0.262 0.000 1.092 275 S HN 0.346 nan 8.310 nan 0.000 0.620 276 F N 3.442 123.342 119.950 -0.083 0.000 2.533 276 F HA 0.584 5.111 4.527 -0.000 0.000 0.378 276 F C -0.466 175.153 175.800 -0.302 0.000 1.070 276 F CA -0.702 57.103 58.000 -0.324 0.000 1.172 276 F CB 0.067 38.782 39.000 -0.475 0.000 1.085 276 F HN 0.129 nan 8.300 nan 0.000 0.552 277 L N 6.788 127.536 121.223 -0.793 0.000 2.434 277 L HA 0.530 4.870 4.340 -0.000 0.000 0.260 277 L C -1.031 175.509 176.870 -0.550 0.000 0.983 277 L CA -1.078 53.431 54.840 -0.552 0.000 0.820 277 L CB 2.542 44.498 42.059 -0.172 0.000 1.361 277 L HN 0.564 nan 8.230 nan 0.000 0.410 278 K N 1.531 121.796 120.400 -0.225 0.000 2.480 278 K HA 0.995 5.315 4.320 -0.000 0.000 0.258 278 K C -1.628 174.983 176.600 0.019 0.000 0.990 278 K CA -0.864 55.402 56.287 -0.035 0.000 0.857 278 K CB 2.960 35.379 32.500 -0.137 0.000 1.384 278 K HN 0.595 nan 8.250 nan 0.000 0.446 279 A N 1.159 123.930 122.820 -0.082 0.000 2.574 279 A HA 0.489 4.809 4.320 -0.000 0.000 0.297 279 A C -1.265 176.182 177.584 -0.228 0.000 1.062 279 A CA -0.921 50.988 52.037 -0.213 0.000 0.686 279 A CB 1.685 20.429 19.000 -0.426 0.000 1.285 279 A HN 0.813 nan 8.150 nan 0.000 0.403 280 R N 1.087 121.453 120.500 -0.224 0.000 2.623 280 R HA 0.371 4.711 4.340 -0.000 0.000 0.271 280 R C -1.073 175.057 176.300 -0.283 0.000 1.043 280 R CA 0.009 55.949 56.100 -0.266 0.000 1.083 280 R CB 0.134 30.219 30.300 -0.358 0.000 0.974 280 R HN 0.639 nan 8.270 nan 0.000 0.436 281 L N 3.689 124.761 121.223 -0.252 0.000 2.289 281 L HA 0.235 4.575 4.340 -0.000 0.000 0.285 281 L C 0.099 176.874 176.870 -0.158 0.000 1.049 281 L CA -0.723 53.987 54.840 -0.217 0.000 0.804 281 L CB 1.389 43.367 42.059 -0.135 0.000 1.195 281 L HN 0.611 nan 8.230 nan 0.000 0.428 282 N N 2.789 121.454 118.700 -0.059 0.000 2.462 282 N HA 0.148 4.888 4.740 -0.000 0.000 0.242 282 N C -1.391 174.148 175.510 0.048 0.000 1.010 282 N CA -0.164 52.891 53.050 0.007 0.000 0.939 282 N CB 1.079 39.578 38.487 0.019 0.000 1.127 282 N HN 0.534 nan 8.380 nan 0.000 0.509 283 c N 4.228 122.768 118.600 -0.100 0.000 2.437 283 c HA 0.706 5.276 4.570 -0.000 0.000 0.307 283 c C -0.487 173.577 174.090 -0.043 0.000 1.093 283 c CA -0.332 55.864 56.329 -0.221 0.000 1.463 283 c CB -1.558 40.441 42.510 -0.852 0.000 1.926 283 c HN 0.751 nan 8.230 nan 0.000 0.420 284 S N 3.862 119.528 115.700 -0.057 0.000 2.588 284 S HA 0.770 5.240 4.470 -0.000 0.000 0.275 284 S C -1.108 173.482 174.600 -0.017 0.000 1.130 284 S CA -0.686 57.434 58.200 -0.134 0.000 0.855 284 S CB 1.259 64.098 63.200 -0.601 0.000 1.116 284 S HN 0.520 nan 8.310 nan 0.000 0.472 285 V N 2.894 122.827 119.914 0.032 0.000 2.461 285 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 285 V C -2.109 173.953 176.094 -0.053 0.000 1.047 285 V CA -1.522 60.752 62.300 -0.044 0.000 0.955 285 V CB 0.448 32.168 31.823 -0.171 0.000 0.988 285 V HN 0.763 nan 8.190 nan 0.000 0.471 286 P HA 0.443 nan 4.420 nan 0.000 0.270 286 P C 0.370 177.551 177.300 -0.198 0.000 1.227 286 P CA 0.588 63.659 63.100 -0.049 0.000 0.788 286 P CB 0.533 32.205 31.700 -0.046 0.000 0.926 287 G N 0.113 108.727 108.800 -0.310 0.000 2.362 287 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.288 287 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.288 287 G C -0.171 174.492 174.900 -0.395 0.000 1.305 287 G CA -0.396 44.530 45.100 -0.290 0.000 0.910 287 G HN 0.332 nan 8.290 nan 0.000 0.518 288 D N -0.016 120.238 120.400 -0.244 0.000 2.123 288 D HA 0.057 4.697 4.640 -0.000 0.000 0.200 288 D C 1.674 177.847 176.300 -0.211 0.000 0.976 288 D CA 1.883 55.776 54.000 -0.180 0.000 0.831 288 D CB -0.029 40.721 40.800 -0.083 0.000 0.974 288 D HN 0.577 nan 8.370 nan 0.000 0.469 289 S N 0.388 115.974 115.700 -0.191 0.000 2.433 289 S HA 0.393 4.863 4.470 -0.000 0.000 0.310 289 S C -0.572 173.922 174.600 -0.177 0.000 1.097 289 S CA -0.853 57.288 58.200 -0.099 0.000 1.103 289 S CB 1.016 64.219 63.200 0.005 0.000 0.992 289 S HN 0.047 nan 8.310 nan 0.000 0.469 290 H N 1.749 120.801 119.070 -0.030 0.000 2.525 290 H HA 0.464 5.020 4.556 -0.000 0.000 0.339 290 H C -0.906 174.308 175.328 -0.189 0.000 1.109 290 H CA -0.386 55.547 56.048 -0.192 0.000 1.352 290 H CB 0.573 30.079 29.762 -0.427 0.000 1.461 290 H HN 0.701 nan 8.280 nan 0.000 0.533 291 F N 3.327 123.144 119.950 -0.220 0.000 2.427 291 F HA 0.331 4.858 4.527 -0.000 0.000 0.346 291 F C -1.246 174.331 175.800 -0.372 0.000 1.120 291 F CA -0.772 57.115 58.000 -0.189 0.000 1.033 291 F CB 0.333 39.312 39.000 -0.035 0.000 1.126 291 F HN 0.450 nan 8.300 nan 0.000 0.462 292 Y N 5.455 125.318 120.300 -0.728 0.000 2.342 292 Y HA 0.422 4.972 4.550 -0.000 0.000 0.334 292 Y C -0.753 174.709 175.900 -0.729 0.000 1.067 292 Y CA -0.551 57.236 58.100 -0.521 0.000 1.128 292 Y CB 0.993 39.220 38.460 -0.388 0.000 1.200 292 Y HN 0.411 nan 8.280 nan 0.000 0.464 293 F N 2.831 122.710 119.950 -0.117 0.000 2.405 293 F HA 0.310 4.837 4.527 -0.000 0.000 0.355 293 F C 0.842 176.628 175.800 -0.023 0.000 1.121 293 F CA -0.196 57.782 58.000 -0.037 0.000 1.112 293 F CB 0.765 39.782 39.000 0.028 0.000 1.126 293 F HN 0.584 nan 8.300 nan 0.000 0.481 294 N N 2.094 120.905 118.700 0.185 0.000 2.463 294 N HA 0.125 4.865 4.740 -0.000 0.000 0.183 294 N C 0.236 175.904 175.510 0.263 0.000 1.064 294 N CA 0.424 53.581 53.050 0.178 0.000 0.879 294 N CB 0.562 39.098 38.487 0.081 0.000 1.148 294 N HN 0.252 nan 8.380 nan 0.000 0.451 295 I N 3.022 123.730 120.570 0.230 0.000 2.278 295 I HA 0.122 4.292 4.170 -0.000 0.000 0.296 295 I C 0.264 176.479 176.117 0.164 0.000 1.121 295 I CA -0.875 60.497 61.300 0.119 0.000 1.267 295 I CB -0.809 37.179 38.000 -0.020 0.000 1.447 295 I HN -0.011 nan 8.210 nan 0.000 0.509 296 L N 7.657 128.934 121.223 0.090 0.000 2.455 296 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 296 L C 1.227 178.058 176.870 -0.064 0.000 1.174 296 L CA 0.970 55.719 54.840 -0.151 0.000 0.869 296 L CB 0.491 42.473 42.059 -0.128 0.000 1.130 296 L HN 0.494 nan 8.230 nan 0.000 0.474 297 Q N 4.423 124.152 119.800 -0.119 0.000 2.481 297 Q HA 0.487 4.827 4.340 -0.000 0.000 0.219 297 Q C -0.123 175.887 176.000 0.018 0.000 0.920 297 Q CA 0.910 56.721 55.803 0.013 0.000 0.915 297 Q CB 0.455 29.220 28.738 0.046 0.000 1.057 297 Q HN 0.767 nan 8.270 nan 0.000 0.581 298 A N -0.032 122.740 122.820 -0.080 0.000 2.612 298 A HA 0.668 4.988 4.320 -0.000 0.000 0.293 298 A C -1.400 176.080 177.584 -0.173 0.000 1.075 298 A CA -0.489 51.508 52.037 -0.068 0.000 0.680 298 A CB 1.755 20.738 19.000 -0.027 0.000 1.279 298 A HN -0.059 nan 8.150 nan 0.000 0.411 299 V N 1.134 120.939 119.914 -0.181 0.000 2.808 299 V HA 0.611 4.731 4.120 -0.000 0.000 0.308 299 V C 0.534 176.485 176.094 -0.238 0.000 1.099 299 V CA -0.102 62.009 62.300 -0.314 0.000 0.920 299 V CB 1.948 33.398 31.823 -0.622 0.000 1.014 299 V HN 1.318 nan 8.190 nan 0.000 0.425 300 T N 0.179 114.598 114.554 -0.225 0.000 2.766 300 T HA 0.271 4.621 4.350 -0.000 0.000 0.295 300 T C -0.015 174.598 174.700 -0.145 0.000 1.024 300 T CA -0.590 61.420 62.100 -0.150 0.000 1.018 300 T CB 0.549 69.336 68.868 -0.135 0.000 1.002 300 T HN 0.587 nan 8.240 nan 0.000 0.532 301 D N 0.217 120.573 120.400 -0.073 0.000 2.363 301 D HA 0.213 4.852 4.640 -0.000 0.000 0.240 301 D C 0.297 176.566 176.300 -0.052 0.000 1.236 301 D CA -0.462 53.514 54.000 -0.039 0.000 0.927 301 D CB 0.500 41.301 40.800 0.002 0.000 1.150 301 D HN 0.397 nan 8.370 nan 0.000 0.458 302 V N 1.453 121.354 119.914 -0.022 0.000 2.673 302 V HA 0.047 4.167 4.120 -0.000 0.000 0.303 302 V C 0.591 176.677 176.094 -0.013 0.000 1.046 302 V CA 0.506 62.781 62.300 -0.041 0.000 1.126 302 V CB 0.033 31.842 31.823 -0.022 0.000 0.934 302 V HN 0.272 nan 8.190 nan 0.000 0.487 303 I N 5.375 125.924 120.570 -0.035 0.000 2.533 303 I HA 0.445 4.614 4.170 -0.000 0.000 0.290 303 I C 0.003 176.116 176.117 -0.006 0.000 1.056 303 I CA -0.812 60.480 61.300 -0.014 0.000 1.057 303 I CB 1.922 39.901 38.000 -0.035 0.000 1.240 303 I HN 0.400 nan 8.210 nan 0.000 0.423 304 R N 6.316 126.829 120.500 0.020 0.000 2.316 304 R HA 0.508 4.848 4.340 -0.000 0.000 0.314 304 R C -0.860 175.449 176.300 0.015 0.000 1.069 304 R CA -0.096 56.020 56.100 0.026 0.000 0.959 304 R CB 0.379 30.704 30.300 0.042 0.000 0.987 304 R HN 0.549 nan 8.270 nan 0.000 0.446 305 I N 4.077 124.652 120.570 0.008 0.000 2.521 305 I HA 0.102 4.272 4.170 -0.000 0.000 0.277 305 I C -0.444 175.681 176.117 0.012 0.000 1.054 305 I CA -0.735 60.570 61.300 0.009 0.000 1.117 305 I CB 1.087 39.086 38.000 -0.002 0.000 1.217 305 I HN 0.537 nan 8.210 nan 0.000 0.469 306 N N 4.806 123.515 118.700 0.014 0.000 2.708 306 N HA -0.177 4.563 4.740 -0.000 0.000 0.255 306 N C 0.818 176.336 175.510 0.014 0.000 1.046 306 N CA 1.420 54.477 53.050 0.011 0.000 0.715 306 N CB -0.887 37.606 38.487 0.010 0.000 0.895 306 N HN 1.108 nan 8.380 nan 0.000 0.545 307 G N -1.753 107.059 108.800 0.020 0.000 2.199 307 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 307 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 307 G C -0.061 174.858 174.900 0.032 0.000 0.982 307 G CA 0.423 45.538 45.100 0.025 0.000 0.632 307 G HN 0.466 nan 8.290 nan 0.000 0.529 308 R N 0.867 121.382 120.500 0.025 0.000 2.637 308 R HA 0.531 4.871 4.340 -0.000 0.000 0.291 308 R C -1.386 174.924 176.300 0.017 0.000 0.963 308 R CA -0.899 55.215 56.100 0.022 0.000 0.901 308 R CB 1.133 31.436 30.300 0.005 0.000 1.160 308 R HN 0.147 nan 8.270 nan 0.000 0.457 309 D N 2.509 122.920 120.400 0.018 0.000 2.347 309 D HA 0.273 4.913 4.640 -0.000 0.000 0.235 309 D C 0.134 176.366 176.300 -0.113 0.000 1.149 309 D CA -0.123 53.863 54.000 -0.024 0.000 0.850 309 D CB 1.438 42.250 40.800 0.020 0.000 1.061 309 D HN 0.293 nan 8.370 nan 0.000 0.487 310 V N -0.297 119.556 119.914 -0.101 0.000 3.102 310 V HA 0.827 4.947 4.120 -0.000 0.000 0.312 310 V C -0.286 175.737 176.094 -0.119 0.000 1.135 310 V CA -0.977 61.259 62.300 -0.107 0.000 1.022 310 V CB 1.945 33.713 31.823 -0.091 0.000 1.056 310 V HN 0.241 nan 8.190 nan 0.000 0.436 311 V N 0.498 120.350 119.914 -0.103 0.000 2.864 311 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 311 V C -0.555 175.457 176.094 -0.137 0.000 1.073 311 V CA -0.821 61.393 62.300 -0.143 0.000 0.956 311 V CB 1.582 33.272 31.823 -0.221 0.000 1.023 311 V HN 0.954 nan 8.190 nan 0.000 0.435 312 L N 2.984 124.086 121.223 -0.202 0.000 2.331 312 L HA 0.974 5.314 4.340 -0.000 0.000 0.275 312 L C 0.193 176.957 176.870 -0.177 0.000 1.022 312 L CA -0.633 54.066 54.840 -0.236 0.000 0.812 312 L CB 1.800 43.627 42.059 -0.386 0.000 1.257 312 L HN 1.027 nan 8.230 nan 0.000 0.435 313 A N 0.714 123.483 122.820 -0.086 0.000 2.486 313 A HA 0.744 5.064 4.320 -0.000 0.000 0.300 313 A C -0.453 177.077 177.584 -0.090 0.000 1.048 313 A CA -0.527 51.429 52.037 -0.135 0.000 0.696 313 A CB 1.869 20.786 19.000 -0.138 0.000 1.278 313 A HN 0.676 nan 8.150 nan 0.000 0.405 314 T N -0.681 113.751 114.554 -0.203 0.000 2.867 314 T HA 0.805 5.155 4.350 -0.000 0.000 0.282 314 T C -0.613 173.952 174.700 -0.225 0.000 1.000 314 T CA -0.323 61.742 62.100 -0.059 0.000 1.042 314 T CB 0.448 69.319 68.868 0.006 0.000 0.973 314 T HN 0.363 nan 8.240 nan 0.000 0.465 315 F N 0.764 120.751 119.950 0.061 0.000 2.588 315 F HA 0.681 5.208 4.527 -0.000 0.000 0.314 315 F C 0.611 176.512 175.800 0.169 0.000 1.069 315 F CA -0.956 57.121 58.000 0.128 0.000 0.931 315 F CB 2.602 41.708 39.000 0.176 0.000 1.260 315 F HN 0.921 nan 8.300 nan 0.000 0.465 316 S N -0.941 115.022 115.700 0.439 0.000 2.745 316 S HA 0.762 5.232 4.470 -0.000 0.000 0.306 316 S C -0.529 174.343 174.600 0.453 0.000 1.137 316 S CA -0.738 57.732 58.200 0.449 0.000 0.900 316 S CB 1.488 64.913 63.200 0.375 0.000 1.176 316 S HN 0.702 nan 8.310 nan 0.000 0.520 317 T N -0.826 113.968 114.554 0.400 0.000 2.849 317 T HA 0.590 4.940 4.350 -0.000 0.000 0.284 317 T C -2.853 171.937 174.700 0.150 0.000 1.004 317 T CA -1.594 60.639 62.100 0.222 0.000 1.021 317 T CB -0.261 68.729 68.868 0.204 0.000 1.013 317 T HN 0.447 nan 8.240 nan 0.000 0.527 318 P HA 0.069 nan 4.420 nan 0.000 0.268 318 P C 0.231 177.581 177.300 0.084 0.000 1.208 318 P CA -0.272 62.774 63.100 -0.091 0.000 0.777 318 P CB 0.136 31.777 31.700 -0.099 0.000 0.875 319 Y N 0.883 121.192 120.300 0.015 0.000 2.421 319 Y HA -0.101 4.449 4.550 -0.000 0.000 0.292 319 Y C 1.788 177.698 175.900 0.016 0.000 1.136 319 Y CA 0.968 59.079 58.100 0.019 0.000 1.255 319 Y CB -1.147 37.319 38.460 0.010 0.000 0.991 319 Y HN 0.425 nan 8.280 nan 0.000 0.552 320 N N 0.081 118.868 118.700 0.145 0.000 2.279 320 N HA 0.008 4.748 4.740 -0.000 0.000 0.226 320 N C -0.092 175.451 175.510 0.055 0.000 1.126 320 N CA 0.302 53.402 53.050 0.083 0.000 0.846 320 N CB -0.107 38.412 38.487 0.053 0.000 1.050 320 N HN 0.196 nan 8.380 nan 0.000 0.502 321 S N -0.156 115.584 115.700 0.067 0.000 2.766 321 S HA 0.530 5.000 4.470 -0.000 0.000 0.307 321 S C 0.267 174.895 174.600 0.047 0.000 1.121 321 S CA -0.928 57.300 58.200 0.047 0.000 0.980 321 S CB 0.929 64.157 63.200 0.046 0.000 1.159 321 S HN 0.002 nan 8.310 nan 0.000 0.546 322 I N 2.104 122.687 120.570 0.022 0.000 2.742 322 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 322 I C -2.219 173.910 176.117 0.020 0.000 1.186 322 I CA -1.842 59.453 61.300 -0.009 0.000 1.417 322 I CB -1.200 36.757 38.000 -0.072 0.000 1.377 322 I HN 0.452 nan 8.210 nan 0.000 0.556 323 P HA 0.317 nan 4.420 nan 0.000 0.268 323 P C 0.157 177.497 177.300 0.066 0.000 1.204 323 P CA 0.087 63.222 63.100 0.059 0.000 0.768 323 P CB 0.763 32.474 31.700 0.018 0.000 0.842 324 G N 0.494 109.398 108.800 0.174 0.000 2.667 324 G HA2 0.544 4.504 3.960 -0.000 0.000 0.294 324 G HA3 0.544 4.504 3.960 -0.000 0.000 0.294 324 G C -1.563 173.562 174.900 0.375 0.000 1.467 324 G CA -0.348 44.912 45.100 0.266 0.000 0.852 324 G HN 0.345 nan 8.290 nan 0.000 0.521 325 S N -1.290 114.533 115.700 0.206 0.000 2.595 325 S HA 0.958 5.428 4.470 -0.000 0.000 0.281 325 S C -0.354 174.032 174.600 -0.357 0.000 1.117 325 S CA -0.066 58.167 58.200 0.056 0.000 0.873 325 S CB 1.959 65.229 63.200 0.116 0.000 1.108 325 S HN 1.879 nan 8.310 nan 0.000 0.477 326 A N 1.021 123.593 122.820 -0.414 0.000 2.572 326 A HA 0.811 5.131 4.320 -0.000 0.000 0.295 326 A C -1.636 175.919 177.584 -0.049 0.000 1.072 326 A CA -0.615 51.104 52.037 -0.531 0.000 0.691 326 A CB 1.289 19.527 19.000 -1.271 0.000 1.291 326 A HN 0.606 nan 8.150 nan 0.000 0.404 327 V N 0.487 120.426 119.914 0.041 0.000 2.409 327 V HA 0.481 4.601 4.120 -0.000 0.000 0.291 327 V C -0.382 175.787 176.094 0.124 0.000 1.020 327 V CA -0.488 61.905 62.300 0.156 0.000 0.848 327 V CB 0.955 32.907 31.823 0.215 0.000 0.990 327 V HN 0.993 nan 8.190 nan 0.000 0.430 328 c N 3.909 122.586 118.600 0.128 0.000 2.493 328 c HA 0.915 5.485 4.570 -0.000 0.000 0.326 328 c C 0.621 174.543 174.090 -0.279 0.000 1.200 328 c CA -0.572 55.703 56.329 -0.089 0.000 1.739 328 c CB 1.389 43.794 42.510 -0.175 0.000 2.300 328 c HN 1.004 nan 8.230 nan 0.000 0.500 329 A N 2.014 124.551 122.820 -0.471 0.000 2.320 329 A HA 0.886 5.206 4.320 -0.000 0.000 0.334 329 A C -1.688 175.434 177.584 -0.770 0.000 1.147 329 A CA -0.251 51.499 52.037 -0.478 0.000 0.820 329 A CB 0.578 19.395 19.000 -0.305 0.000 1.218 329 A HN 0.820 nan 8.150 nan 0.000 0.482 330 Y N 0.268 120.528 120.300 -0.066 0.000 2.442 330 Y HA 0.338 4.888 4.550 -0.000 0.000 0.344 330 Y C -0.158 175.687 175.900 -0.092 0.000 0.976 330 Y CA -0.881 57.184 58.100 -0.057 0.000 1.040 330 Y CB 1.902 40.350 38.460 -0.020 0.000 1.228 330 Y HN 0.695 nan 8.280 nan 0.000 0.451 331 D N 3.110 123.540 120.400 0.051 0.000 2.264 331 D HA 0.110 4.750 4.640 -0.000 0.000 0.250 331 D C 0.812 177.074 176.300 -0.064 0.000 1.113 331 D CA -0.141 53.846 54.000 -0.021 0.000 0.871 331 D CB 1.253 42.044 40.800 -0.015 0.000 1.167 331 D HN 0.523 nan 8.370 nan 0.000 0.447 332 M N 3.471 122.970 119.600 -0.168 0.000 2.279 332 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 332 M C 1.748 177.970 176.300 -0.130 0.000 1.062 332 M CA 0.710 55.827 55.300 -0.306 0.000 1.099 332 M CB -0.623 31.509 32.600 -0.781 0.000 1.394 332 M HN 0.419 nan 8.290 nan 0.000 0.426 333 L N 0.399 121.604 121.223 -0.030 0.000 2.093 333 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 333 L C 1.842 178.705 176.870 -0.012 0.000 1.085 333 L CA 1.665 56.521 54.840 0.026 0.000 0.755 333 L CB -1.002 41.081 42.059 0.040 0.000 0.904 333 L HN 0.218 nan 8.230 nan 0.000 0.435 334 D N -0.848 119.532 120.400 -0.034 0.000 2.178 334 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 334 D C 2.399 178.632 176.300 -0.111 0.000 0.974 334 D CA 0.971 54.940 54.000 -0.051 0.000 0.841 334 D CB 0.013 40.803 40.800 -0.016 0.000 0.953 334 D HN 0.257 nan 8.370 nan 0.000 0.478 335 I N 0.832 121.321 120.570 -0.135 0.000 2.163 335 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 335 I C 2.389 178.437 176.117 -0.114 0.000 1.081 335 I CA 0.862 62.035 61.300 -0.213 0.000 1.353 335 I CB -0.199 37.611 38.000 -0.317 0.000 1.054 335 I HN -0.059 nan 8.210 nan 0.000 0.407 336 A N 0.834 123.637 122.820 -0.029 0.000 1.927 336 A HA -0.326 3.994 4.320 -0.000 0.000 0.220 336 A C 2.034 179.667 177.584 0.081 0.000 1.185 336 A CA 2.593 54.714 52.037 0.140 0.000 0.639 336 A CB -0.958 18.140 19.000 0.163 0.000 0.820 336 A HN 0.478 nan 8.150 nan 0.000 0.451 337 N N 0.034 118.717 118.700 -0.029 0.000 2.120 337 N HA -0.147 4.592 4.740 -0.000 0.000 0.188 337 N C 1.716 177.127 175.510 -0.165 0.000 1.024 337 N CA 2.048 55.057 53.050 -0.069 0.000 0.852 337 N CB -0.482 37.964 38.487 -0.068 0.000 1.003 337 N HN 0.461 nan 8.380 nan 0.000 0.424 338 V N -1.884 117.832 119.914 -0.330 0.000 2.490 338 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 338 V C 1.552 177.341 176.094 -0.508 0.000 1.061 338 V CA 1.395 63.410 62.300 -0.475 0.000 1.064 338 V CB -1.242 30.175 31.823 -0.678 0.000 0.670 338 V HN 0.051 nan 8.190 nan 0.000 0.461 339 F N 2.456 122.298 119.950 -0.181 0.000 2.699 339 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 339 F C 2.468 178.133 175.800 -0.225 0.000 1.154 339 F CA 1.286 59.157 58.000 -0.216 0.000 1.457 339 F CB -1.015 37.865 39.000 -0.201 0.000 1.106 339 F HN 0.429 nan 8.300 nan 0.000 0.585 340 T N -3.226 111.284 114.554 -0.074 0.000 3.040 340 T HA 0.354 4.704 4.350 -0.000 0.000 0.250 340 T C 1.305 175.912 174.700 -0.154 0.000 1.058 340 T CA 0.300 62.350 62.100 -0.082 0.000 0.988 340 T CB -0.422 68.430 68.868 -0.027 0.000 0.993 340 T HN 0.120 nan 8.240 nan 0.000 0.519 341 G N 1.094 109.763 108.800 -0.219 0.000 2.516 341 G HA2 0.501 4.461 3.960 -0.000 0.000 0.276 341 G HA3 0.501 4.461 3.960 -0.000 0.000 0.276 341 G C -0.368 174.354 174.900 -0.297 0.000 1.390 341 G CA -1.156 43.816 45.100 -0.213 0.000 1.050 341 G HN 0.433 nan 8.290 nan 0.000 0.519 342 R N -1.144 119.242 120.500 -0.189 0.000 2.594 342 R HA 0.263 4.603 4.340 -0.000 0.000 0.272 342 R C -0.638 175.572 176.300 -0.151 0.000 1.074 342 R CA -0.084 55.947 56.100 -0.115 0.000 1.105 342 R CB 0.514 30.816 30.300 0.004 0.000 1.008 342 R HN 0.334 nan 8.270 nan 0.000 0.472 343 F N 1.068 121.070 119.950 0.087 0.000 2.380 343 F HA 0.255 4.782 4.527 -0.000 0.000 0.325 343 F C 1.114 177.010 175.800 0.160 0.000 1.136 343 F CA -0.206 57.878 58.000 0.140 0.000 1.171 343 F CB 0.591 39.732 39.000 0.236 0.000 1.230 343 F HN 0.231 nan 8.300 nan 0.000 0.554 344 K N 0.946 121.588 120.400 0.404 0.000 2.087 344 K HA 0.418 4.738 4.320 -0.000 0.000 0.255 344 K C -0.944 175.965 176.600 0.515 0.000 0.988 344 K CA -0.467 56.064 56.287 0.407 0.000 0.915 344 K CB 1.100 33.821 32.500 0.369 0.000 1.043 344 K HN 0.830 nan 8.250 nan 0.000 0.457 345 E N 1.268 121.734 120.200 0.443 0.000 2.390 345 E HA 0.112 4.462 4.350 -0.000 0.000 0.280 345 E C -1.567 174.890 176.600 -0.238 0.000 0.992 345 E CA -0.899 55.608 56.400 0.180 0.000 0.790 345 E CB 1.266 31.079 29.700 0.188 0.000 1.248 345 E HN 0.369 nan 8.360 nan 0.000 0.447 346 Q N 1.744 121.160 119.800 -0.639 0.000 2.430 346 Q HA 0.133 4.473 4.340 -0.000 0.000 0.245 346 Q C 0.164 175.964 176.000 -0.334 0.000 1.021 346 Q CA -0.517 54.855 55.803 -0.718 0.000 0.867 346 Q CB 1.250 29.386 28.738 -1.003 0.000 1.210 346 Q HN 0.486 nan 8.270 nan 0.000 0.487 347 K N 1.066 121.343 120.400 -0.206 0.000 2.360 347 K HA -0.102 4.218 4.320 -0.000 0.000 0.201 347 K C -0.166 176.369 176.600 -0.109 0.000 1.046 347 K CA 0.873 57.096 56.287 -0.107 0.000 0.940 347 K CB 0.269 32.731 32.500 -0.063 0.000 0.748 347 K HN 0.564 nan 8.250 nan 0.000 0.465 348 S N -1.927 113.683 115.700 -0.151 0.000 2.578 348 S HA 0.428 4.898 4.470 -0.000 0.000 0.272 348 S C -3.085 171.424 174.600 -0.151 0.000 1.145 348 S CA -1.577 56.550 58.200 -0.121 0.000 0.835 348 S CB 1.636 64.787 63.200 -0.081 0.000 1.104 348 S HN -0.065 nan 8.310 nan 0.000 0.458 349 P HA 0.204 nan 4.420 nan 0.000 0.265 349 P C -0.521 176.720 177.300 -0.097 0.000 1.193 349 P CA 0.806 63.842 63.100 -0.107 0.000 0.765 349 P CB -0.106 31.554 31.700 -0.066 0.000 0.823 350 D N -1.263 119.080 120.400 -0.095 0.000 3.059 350 D HA -0.155 4.485 4.640 -0.000 0.000 0.220 350 D C 0.553 176.811 176.300 -0.069 0.000 1.169 350 D CA 1.463 55.430 54.000 -0.056 0.000 0.902 350 D CB -1.948 38.834 40.800 -0.029 0.000 1.116 350 D HN 0.601 nan 8.370 nan 0.000 0.417 351 S N -0.607 115.017 115.700 -0.127 0.000 2.686 351 S HA 0.570 5.040 4.470 -0.000 0.000 0.270 351 S C 0.696 175.225 174.600 -0.119 0.000 1.194 351 S CA -0.069 58.062 58.200 -0.114 0.000 0.990 351 S CB 1.699 64.820 63.200 -0.132 0.000 1.029 351 S HN 0.228 nan 8.310 nan 0.000 0.560 352 T N -1.194 113.324 114.554 -0.059 0.000 2.904 352 T HA 0.353 4.703 4.350 -0.000 0.000 0.290 352 T C -0.698 174.004 174.700 0.003 0.000 1.018 352 T CA -0.650 61.466 62.100 0.027 0.000 1.075 352 T CB -0.135 68.755 68.868 0.037 0.000 0.986 352 T HN 0.652 nan 8.240 nan 0.000 0.523 353 W N 2.143 123.430 121.300 -0.022 0.000 2.266 353 W HA 0.465 5.125 4.660 -0.000 0.000 0.317 353 W C 0.831 177.356 176.519 0.009 0.000 1.310 353 W CA -0.285 57.061 57.345 0.002 0.000 1.207 353 W CB 0.537 30.001 29.460 0.006 0.000 1.199 353 W HN 0.989 nan 8.180 nan 0.000 0.544 354 T N 1.023 115.697 114.554 0.200 0.000 2.906 354 T HA 0.610 4.959 4.350 -0.000 0.000 0.295 354 T C -2.853 171.941 174.700 0.158 0.000 1.075 354 T CA -2.938 59.244 62.100 0.137 0.000 1.005 354 T CB 2.009 70.918 68.868 0.068 0.000 1.136 354 T HN -0.049 nan 8.240 nan 0.000 0.498 355 P HA 0.349 nan 4.420 nan 0.000 0.276 355 P C -0.315 177.063 177.300 0.131 0.000 1.230 355 P CA -0.552 62.626 63.100 0.129 0.000 0.776 355 P CB 0.426 32.172 31.700 0.078 0.000 0.888 356 V N 5.893 125.915 119.914 0.180 0.000 2.715 356 V HA 0.138 4.258 4.120 -0.000 0.000 0.299 356 V C -1.883 174.285 176.094 0.123 0.000 1.054 356 V CA -1.219 61.180 62.300 0.165 0.000 1.077 356 V CB -0.033 31.932 31.823 0.236 0.000 0.972 356 V HN 0.558 nan 8.190 nan 0.000 0.484 357 P HA 0.165 nan 4.420 nan 0.000 0.276 357 P C 0.344 177.669 177.300 0.041 0.000 1.230 357 P CA -0.198 62.933 63.100 0.052 0.000 0.776 357 P CB 0.621 32.343 31.700 0.037 0.000 0.888 358 D N 2.109 122.527 120.400 0.030 0.000 2.221 358 D HA -0.195 4.445 4.640 -0.000 0.000 0.204 358 D C 1.061 177.351 176.300 -0.016 0.000 0.982 358 D CA 1.368 55.376 54.000 0.013 0.000 0.857 358 D CB 0.025 40.830 40.800 0.007 0.000 0.934 358 D HN 0.321 nan 8.370 nan 0.000 0.475 359 E N -0.446 119.749 120.200 -0.008 0.000 2.331 359 E HA -0.093 4.257 4.350 -0.000 0.000 0.199 359 E C 1.734 178.315 176.600 -0.032 0.000 1.008 359 E CA 0.688 57.079 56.400 -0.016 0.000 0.843 359 E CB -0.006 29.693 29.700 -0.003 0.000 0.761 359 E HN 0.322 nan 8.360 nan 0.000 0.507 360 R N 0.076 120.553 120.500 -0.038 0.000 2.308 360 R HA 0.131 4.471 4.340 -0.000 0.000 0.202 360 R C 0.197 176.371 176.300 -0.210 0.000 0.898 360 R CA 0.111 56.179 56.100 -0.055 0.000 1.046 360 R CB 0.640 30.953 30.300 0.022 0.000 1.026 360 R HN 0.116 nan 8.270 nan 0.000 0.512 361 V N 0.956 120.695 119.914 -0.293 0.000 2.488 361 V HA 0.343 4.463 4.120 -0.000 0.000 0.277 361 V C -2.381 173.474 176.094 -0.399 0.000 1.046 361 V CA -2.126 59.818 62.300 -0.593 0.000 0.986 361 V CB 0.832 32.433 31.823 -0.370 0.000 0.989 361 V HN -0.098 nan 8.190 nan 0.000 0.475 362 P HA 0.392 nan 4.420 nan 0.000 0.275 362 P C -0.987 176.201 177.300 -0.188 0.000 1.270 362 P CA -0.363 62.587 63.100 -0.250 0.000 0.791 362 P CB 0.371 31.936 31.700 -0.225 0.000 1.089 363 K N 0.528 120.860 120.400 -0.113 0.000 2.397 363 K HA 0.472 4.792 4.320 -0.000 0.000 0.253 363 K C -2.502 174.061 176.600 -0.062 0.000 0.932 363 K CA -1.864 54.377 56.287 -0.077 0.000 0.795 363 K CB 1.061 33.550 32.500 -0.019 0.000 1.159 363 K HN 0.278 nan 8.250 nan 0.000 0.424 364 P HA -0.008 nan 4.420 nan 0.000 0.269 364 P C -0.769 176.390 177.300 -0.234 0.000 1.215 364 P CA -0.451 62.531 63.100 -0.197 0.000 0.780 364 P CB 0.522 31.964 31.700 -0.429 0.000 0.898 365 R N 3.170 123.580 120.500 -0.151 0.000 2.522 365 R HA 0.115 4.454 4.340 -0.000 0.000 0.284 365 R C -2.139 174.089 176.300 -0.121 0.000 1.032 365 R CA -1.203 54.832 56.100 -0.109 0.000 1.049 365 R CB -0.559 29.732 30.300 -0.015 0.000 0.956 365 R HN 0.327 nan 8.270 nan 0.000 0.422 366 P HA 0.018 nan 4.420 nan 0.000 0.261 366 P C 0.192 177.567 177.300 0.125 0.000 1.183 366 P CA 1.115 64.200 63.100 -0.025 0.000 0.761 366 P CB 0.836 32.519 31.700 -0.029 0.000 0.785 367 G N 1.664 110.501 108.800 0.061 0.000 2.194 367 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 367 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 367 G C 0.217 175.192 174.900 0.125 0.000 0.987 367 G CA -0.313 44.854 45.100 0.112 0.000 0.635 367 G HN 0.642 nan 8.290 nan 0.000 0.520 368 C N 1.909 121.253 119.300 0.073 0.000 2.514 368 C HA 0.569 5.029 4.460 -0.000 0.000 0.392 368 C C 1.697 176.773 174.990 0.143 0.000 1.294 368 C CA -0.527 58.559 59.018 0.115 0.000 1.957 368 C CB -0.399 27.377 27.740 0.061 0.000 2.541 368 C HN 0.624 nan 8.230 nan 0.000 0.569 369 c N 3.620 122.327 118.600 0.179 0.000 2.662 369 c HA 0.425 4.995 4.570 -0.000 0.000 0.420 369 c C 1.195 175.435 174.090 0.250 0.000 1.314 369 c CA -0.549 55.892 56.329 0.188 0.000 1.963 369 c CB -0.831 41.697 42.510 0.029 0.000 2.686 369 c HN 1.004 nan 8.230 nan 0.000 0.609 370 A N 2.543 125.570 122.820 0.345 0.000 2.498 370 A HA 0.460 4.780 4.320 -0.000 0.000 0.239 370 A C 1.407 179.097 177.584 0.176 0.000 1.068 370 A CA 0.691 52.914 52.037 0.310 0.000 0.766 370 A CB -0.527 18.544 19.000 0.117 0.000 1.003 370 A HN 2.334 nan 8.150 nan 0.000 0.497 371 G N 0.678 109.591 108.800 0.189 0.000 2.176 371 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.253 371 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.253 371 G C 0.742 175.702 174.900 0.100 0.000 0.979 371 G CA 0.861 46.032 45.100 0.117 0.000 0.641 371 G HN 1.789 nan 8.290 nan 0.000 0.530 372 S N 0.297 116.070 115.700 0.122 0.000 2.608 372 S HA 0.540 5.010 4.470 -0.000 0.000 0.261 372 S C 2.244 176.899 174.600 0.093 0.000 1.314 372 S CA 1.019 59.276 58.200 0.095 0.000 0.992 372 S CB 0.692 63.955 63.200 0.105 0.000 0.935 372 S HN 1.611 nan 8.310 nan 0.000 0.564 373 S N 2.939 118.684 115.700 0.075 0.000 2.469 373 S HA -0.245 4.225 4.470 -0.000 0.000 0.309 373 S C 1.624 176.268 174.600 0.072 0.000 1.209 373 S CA 2.261 60.500 58.200 0.066 0.000 1.281 373 S CB -1.464 61.773 63.200 0.062 0.000 1.265 373 S HN 0.716 nan 8.310 nan 0.000 0.452 374 S N 0.848 116.598 115.700 0.083 0.000 2.577 374 S HA 0.405 4.875 4.470 -0.000 0.000 0.219 374 S C 0.309 174.995 174.600 0.145 0.000 0.962 374 S CA -0.100 58.154 58.200 0.090 0.000 0.921 374 S CB -0.002 63.241 63.200 0.073 0.000 0.789 374 S HN 0.261 nan 8.310 nan 0.000 0.497 375 L N 1.050 122.381 121.223 0.179 0.000 3.110 375 L HA 0.401 4.741 4.340 -0.000 0.000 0.266 375 L C 1.169 178.201 176.870 0.269 0.000 1.257 375 L CA 0.222 55.257 54.840 0.325 0.000 1.038 375 L CB -0.013 42.249 42.059 0.339 0.000 1.395 375 L HN -0.048 nan 8.230 nan 0.000 0.566 376 E N 0.410 120.694 120.200 0.140 0.000 2.160 376 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 376 E C 2.013 178.632 176.600 0.032 0.000 0.991 376 E CA 0.987 57.435 56.400 0.080 0.000 0.810 376 E CB -0.066 29.660 29.700 0.043 0.000 0.742 376 E HN 0.343 nan 8.360 nan 0.000 0.466 377 K N 0.070 120.444 120.400 -0.044 0.000 2.281 377 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 377 K C -0.434 175.968 176.600 -0.331 0.000 1.046 377 K CA 0.788 56.930 56.287 -0.241 0.000 0.938 377 K CB 0.036 32.288 32.500 -0.413 0.000 0.737 377 K HN 0.126 nan 8.250 nan 0.000 0.458 378 Y N -0.219 120.135 120.300 0.091 0.000 2.369 378 Y HA 0.323 4.873 4.550 -0.000 0.000 0.337 378 Y C 0.918 176.836 175.900 0.030 0.000 0.961 378 Y CA -0.580 57.574 58.100 0.090 0.000 1.186 378 Y CB 1.590 40.188 38.460 0.230 0.000 1.139 378 Y HN -0.029 nan 8.280 nan 0.000 0.494 379 A N 2.448 125.329 122.820 0.102 0.000 1.855 379 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 379 A C 1.149 178.734 177.584 0.001 0.000 1.191 379 A CA 1.902 53.962 52.037 0.038 0.000 0.613 379 A CB -0.423 18.582 19.000 0.008 0.000 0.829 379 A HN 0.666 nan 8.150 nan 0.000 0.442 380 T N -4.725 109.794 114.554 -0.058 0.000 2.865 380 T HA 0.439 4.789 4.350 -0.000 0.000 0.294 380 T C 0.814 175.248 174.700 -0.442 0.000 1.119 380 T CA 0.285 62.283 62.100 -0.169 0.000 1.007 380 T CB 1.299 70.091 68.868 -0.127 0.000 1.225 380 T HN 0.536 nan 8.240 nan 0.000 0.515 381 S N 0.985 116.305 115.700 -0.633 0.000 2.440 381 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 381 S C 1.489 175.691 174.600 -0.662 0.000 1.010 381 S CA 0.958 58.422 58.200 -1.226 0.000 0.972 381 S CB -0.909 61.970 63.200 -0.535 0.000 0.774 381 S HN 0.716 nan 8.310 nan 0.000 0.501 382 N N 2.120 120.632 118.700 -0.315 0.000 2.348 382 N HA -0.084 4.655 4.740 -0.000 0.000 0.185 382 N C 1.328 176.792 175.510 -0.075 0.000 1.019 382 N CA 1.366 54.332 53.050 -0.139 0.000 0.880 382 N CB -0.328 38.105 38.487 -0.091 0.000 0.965 382 N HN 0.725 nan 8.380 nan 0.000 0.437 383 E N -0.670 119.472 120.200 -0.097 0.000 2.447 383 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 383 E C -0.277 176.476 176.600 0.255 0.000 1.028 383 E CA -0.362 56.102 56.400 0.106 0.000 0.876 383 E CB 0.113 29.937 29.700 0.207 0.000 0.885 383 E HN 0.086 nan 8.360 nan 0.000 0.500 384 F N 2.304 122.267 119.950 0.021 0.000 2.642 384 F HA 0.025 4.552 4.527 -0.000 0.000 0.371 384 F C -1.797 174.003 175.800 0.000 0.000 1.120 384 F CA -2.535 55.380 58.000 -0.143 0.000 1.331 384 F CB -0.464 38.449 39.000 -0.145 0.000 1.044 384 F HN -0.102 nan 8.300 nan 0.000 0.594 385 P HA 0.134 nan 4.420 nan 0.000 0.278 385 P C 0.283 177.656 177.300 0.121 0.000 1.238 385 P CA -0.252 62.942 63.100 0.157 0.000 0.794 385 P CB 0.720 32.501 31.700 0.135 0.000 0.955 386 D N 1.262 121.727 120.400 0.109 0.000 2.191 386 D HA -0.231 4.409 4.640 -0.000 0.000 0.195 386 D C 1.357 177.715 176.300 0.096 0.000 1.003 386 D CA 1.695 55.754 54.000 0.099 0.000 0.867 386 D CB -0.404 40.445 40.800 0.081 0.000 0.926 386 D HN 0.558 nan 8.370 nan 0.000 0.450 387 D N -0.219 120.228 120.400 0.078 0.000 2.097 387 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 387 D C 1.991 178.335 176.300 0.073 0.000 0.989 387 D CA 2.428 56.471 54.000 0.072 0.000 0.827 387 D CB -1.233 39.594 40.800 0.045 0.000 0.966 387 D HN 0.354 nan 8.370 nan 0.000 0.456 388 T N -1.245 113.320 114.554 0.018 0.000 2.904 388 T HA -0.002 4.348 4.350 -0.000 0.000 0.267 388 T C 2.352 177.099 174.700 0.079 0.000 1.059 388 T CA 0.596 62.681 62.100 -0.025 0.000 1.137 388 T CB -0.647 68.108 68.868 -0.189 0.000 0.879 388 T HN 0.184 nan 8.240 nan 0.000 0.467 389 L N 0.968 122.259 121.223 0.114 0.000 2.027 389 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 389 L C 2.995 179.983 176.870 0.197 0.000 1.074 389 L CA 1.330 56.277 54.840 0.178 0.000 0.745 389 L CB -0.708 41.462 42.059 0.186 0.000 0.898 389 L HN 0.284 nan 8.230 nan 0.000 0.433 390 N N -0.042 118.761 118.700 0.171 0.000 2.120 390 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 390 N C 1.758 177.383 175.510 0.191 0.000 1.024 390 N CA 1.371 54.518 53.050 0.162 0.000 0.852 390 N CB -0.315 38.249 38.487 0.129 0.000 1.003 390 N HN 0.219 nan 8.380 nan 0.000 0.424 391 F N 1.367 121.362 119.950 0.075 0.000 2.134 391 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 391 F C 2.295 178.168 175.800 0.121 0.000 1.097 391 F CA 0.899 58.956 58.000 0.094 0.000 1.264 391 F CB -0.149 38.801 39.000 -0.083 0.000 1.001 391 F HN -0.045 nan 8.300 nan 0.000 0.479 392 I N 0.291 121.035 120.570 0.291 0.000 2.353 392 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 392 I C 2.432 178.651 176.117 0.170 0.000 1.119 392 I CA 1.258 62.673 61.300 0.192 0.000 1.417 392 I CB -0.389 37.721 38.000 0.182 0.000 1.078 392 I HN 0.145 nan 8.210 nan 0.000 0.421 393 K N -0.049 120.533 120.400 0.305 0.000 2.160 393 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 393 K C 1.510 178.331 176.600 0.369 0.000 1.047 393 K CA 2.018 58.618 56.287 0.521 0.000 0.930 393 K CB -0.011 32.719 32.500 0.384 0.000 0.720 393 K HN 0.264 nan 8.250 nan 0.000 0.450 394 T N -0.802 113.779 114.554 0.046 0.000 3.044 394 T HA 0.067 4.417 4.350 -0.000 0.000 0.250 394 T C -0.361 173.961 174.700 -0.629 0.000 1.081 394 T CA 0.275 62.218 62.100 -0.261 0.000 1.040 394 T CB 0.085 68.697 68.868 -0.426 0.000 0.962 394 T HN 0.309 nan 8.240 nan 0.000 0.506 395 H N 0.137 119.065 119.070 -0.236 0.000 2.535 395 H HA 0.272 4.827 4.556 -0.000 0.000 0.232 395 H C -2.151 173.162 175.328 -0.025 0.000 1.405 395 H CA -1.518 54.408 56.048 -0.203 0.000 1.224 395 H CB 0.695 30.098 29.762 -0.599 0.000 1.763 395 H HN 0.077 nan 8.280 nan 0.000 0.529 396 P HA -0.092 nan 4.420 nan 0.000 0.226 396 P C 0.040 177.322 177.300 -0.030 0.000 1.153 396 P CA 0.391 63.404 63.100 -0.145 0.000 0.777 396 P CB 0.563 32.033 31.700 -0.383 0.000 0.794 397 L N -0.061 121.216 121.223 0.090 0.000 2.295 397 L HA 0.365 4.705 4.340 -0.000 0.000 0.285 397 L C -0.049 176.910 176.870 0.149 0.000 1.035 397 L CA -0.655 54.225 54.840 0.067 0.000 0.806 397 L CB 0.372 42.430 42.059 -0.003 0.000 1.214 397 L HN -0.250 nan 8.230 nan 0.000 0.426 398 M N 2.649 122.269 119.600 0.034 0.000 2.255 398 M HA 0.161 4.641 4.480 -0.000 0.000 0.336 398 M C 0.865 177.144 176.300 -0.034 0.000 1.135 398 M CA -0.190 55.085 55.300 -0.042 0.000 1.145 398 M CB 0.476 32.950 32.600 -0.211 0.000 1.473 398 M HN 0.678 nan 8.290 nan 0.000 0.462 399 D N 1.258 121.646 120.400 -0.019 0.000 2.117 399 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 399 D C 0.024 176.283 176.300 -0.068 0.000 0.987 399 D CA 1.393 55.394 54.000 0.000 0.000 0.829 399 D CB 0.499 41.315 40.800 0.026 0.000 0.961 399 D HN 0.603 nan 8.370 nan 0.000 0.460 400 E N -0.462 119.662 120.200 -0.127 0.000 2.283 400 E HA 0.529 4.879 4.350 -0.000 0.000 0.267 400 E C -0.708 175.771 176.600 -0.202 0.000 1.045 400 E CA -0.759 55.548 56.400 -0.154 0.000 0.884 400 E CB 1.644 31.244 29.700 -0.166 0.000 1.106 400 E HN 0.169 nan 8.360 nan 0.000 0.408 401 A N 1.601 124.306 122.820 -0.192 0.000 2.303 401 A HA 0.390 4.710 4.320 -0.000 0.000 0.317 401 A C -0.319 177.145 177.584 -0.199 0.000 1.149 401 A CA -0.693 51.213 52.037 -0.218 0.000 0.822 401 A CB 0.802 19.673 19.000 -0.215 0.000 1.131 401 A HN 0.377 nan 8.150 nan 0.000 0.493 402 V N 4.073 123.855 119.914 -0.221 0.000 2.521 402 V HA 0.237 4.357 4.120 -0.000 0.000 0.286 402 V C -1.833 174.252 176.094 -0.016 0.000 1.034 402 V CA -0.851 61.349 62.300 -0.165 0.000 1.045 402 V CB 0.516 32.192 31.823 -0.246 0.000 0.974 402 V HN 0.825 nan 8.190 nan 0.000 0.480 403 P HA 0.239 nan 4.420 nan 0.000 0.281 403 P C -0.148 177.254 177.300 0.170 0.000 1.249 403 P CA -0.294 62.845 63.100 0.064 0.000 0.810 403 P CB 1.234 32.932 31.700 -0.004 0.000 1.008 404 S N 1.681 117.422 115.700 0.069 0.000 2.634 404 S HA 0.211 4.681 4.470 -0.000 0.000 0.261 404 S C 1.548 176.066 174.600 -0.138 0.000 1.271 404 S CA -0.527 57.540 58.200 -0.222 0.000 0.985 404 S CB -0.132 62.847 63.200 -0.369 0.000 0.968 404 S HN 0.368 nan 8.310 nan 0.000 0.568 405 I N -0.200 120.258 120.570 -0.186 0.000 2.202 405 I HA -0.075 4.095 4.170 -0.000 0.000 0.242 405 I C 1.128 177.213 176.117 -0.054 0.000 1.091 405 I CA 1.181 62.426 61.300 -0.091 0.000 1.368 405 I CB -0.102 37.848 38.000 -0.084 0.000 1.058 405 I HN 0.567 nan 8.210 nan 0.000 0.410 406 I N 1.260 121.799 120.570 -0.052 0.000 3.884 406 I HA 0.075 4.245 4.170 -0.000 0.000 0.330 406 I C 0.203 176.294 176.117 -0.043 0.000 1.451 406 I CA 0.254 61.531 61.300 -0.038 0.000 1.165 406 I CB -1.126 36.856 38.000 -0.029 0.000 1.097 406 I HN 0.360 nan 8.210 nan 0.000 0.404 407 N N 3.126 121.794 118.700 -0.053 0.000 2.725 407 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 407 N C 0.260 175.740 175.510 -0.049 0.000 1.103 407 N CA 0.785 53.807 53.050 -0.046 0.000 0.707 407 N CB -0.743 37.727 38.487 -0.029 0.000 1.043 407 N HN 0.664 nan 8.380 nan 0.000 0.553 408 R N -2.170 118.291 120.500 -0.065 0.000 2.663 408 R HA 0.535 4.875 4.340 -0.000 0.000 0.267 408 R C -3.447 172.809 176.300 -0.072 0.000 1.038 408 R CA -1.401 54.658 56.100 -0.067 0.000 0.886 408 R CB 1.060 31.318 30.300 -0.070 0.000 1.249 408 R HN -0.295 nan 8.270 nan 0.000 0.463 409 P HA 0.004 nan 4.420 nan 0.000 0.268 409 P C -0.353 176.936 177.300 -0.017 0.000 1.204 409 P CA -0.341 62.717 63.100 -0.070 0.000 0.768 409 P CB 0.316 31.936 31.700 -0.133 0.000 0.842 410 W N 5.215 126.421 121.300 -0.156 0.000 2.374 410 W HA 0.008 4.668 4.660 -0.000 0.000 0.288 410 W C -0.142 176.331 176.519 -0.077 0.000 1.218 410 W CA 1.084 58.352 57.345 -0.128 0.000 1.245 410 W CB 0.062 29.431 29.460 -0.151 0.000 1.126 410 W HN 0.267 nan 8.180 nan 0.000 0.545 411 F N 0.209 120.093 119.950 -0.109 0.000 2.665 411 F HA 0.499 5.026 4.527 -0.000 0.000 0.308 411 F C -1.764 173.913 175.800 -0.205 0.000 1.112 411 F CA -1.852 55.962 58.000 -0.311 0.000 0.972 411 F CB 0.555 39.261 39.000 -0.490 0.000 1.295 411 F HN -0.354 nan 8.300 nan 0.000 0.440 412 L N 4.937 125.418 121.223 -1.236 0.000 2.408 412 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 412 L C -1.105 175.140 176.870 -1.041 0.000 0.986 412 L CA -0.874 53.441 54.840 -0.875 0.000 0.820 412 L CB 2.498 44.322 42.059 -0.391 0.000 1.303 412 L HN 0.680 nan 8.230 nan 0.000 0.411 413 R N 0.176 120.346 120.500 -0.552 0.000 2.514 413 R HA 0.474 4.814 4.340 -0.000 0.000 0.296 413 R C 0.056 176.313 176.300 -0.072 0.000 1.012 413 R CA 0.003 55.955 56.100 -0.247 0.000 0.897 413 R CB 1.572 31.834 30.300 -0.062 0.000 1.184 413 R HN 0.719 nan 8.270 nan 0.000 0.440 414 T N 0.408 114.942 114.554 -0.033 0.000 3.080 414 T HA 0.161 4.511 4.350 -0.000 0.000 0.280 414 T C 0.783 175.449 174.700 -0.058 0.000 0.926 414 T CA -0.306 61.780 62.100 -0.024 0.000 0.883 414 T CB 0.309 69.170 68.868 -0.012 0.000 1.194 414 T HN 0.367 nan 8.240 nan 0.000 0.541 415 M N 3.068 122.639 119.600 -0.049 0.000 2.551 415 M HA 0.383 4.863 4.480 -0.000 0.000 0.252 415 M C 0.022 176.280 176.300 -0.070 0.000 1.219 415 M CA -0.040 55.237 55.300 -0.040 0.000 0.978 415 M CB 0.061 32.664 32.600 0.005 0.000 1.533 415 M HN 0.392 nan 8.290 nan 0.000 0.474 416 V N -3.005 116.817 119.914 -0.154 0.000 3.078 416 V HA 0.573 4.693 4.120 -0.000 0.000 0.311 416 V C 0.826 176.775 176.094 -0.241 0.000 1.138 416 V CA -1.035 61.113 62.300 -0.253 0.000 1.007 416 V CB 2.590 34.039 31.823 -0.625 0.000 1.045 416 V HN 0.107 nan 8.190 nan 0.000 0.432 417 R N 0.487 120.903 120.500 -0.141 0.000 2.240 417 R HA 0.151 4.491 4.340 -0.000 0.000 0.203 417 R C 0.382 176.681 176.300 -0.003 0.000 1.011 417 R CA 0.670 56.743 56.100 -0.044 0.000 1.007 417 R CB -0.269 30.043 30.300 0.021 0.000 0.911 417 R HN 0.881 nan 8.270 nan 0.000 0.468 418 Y N 0.785 121.121 120.300 0.060 0.000 2.326 418 Y HA 0.427 4.977 4.550 -0.000 0.000 0.324 418 Y C 0.306 176.252 175.900 0.078 0.000 1.291 418 Y CA -1.665 56.471 58.100 0.060 0.000 1.348 418 Y CB 0.372 38.880 38.460 0.081 0.000 1.294 418 Y HN -0.155 nan 8.280 nan 0.000 0.525 419 R N 2.008 122.700 120.500 0.321 0.000 2.740 419 R HA 0.653 4.993 4.340 -0.000 0.000 0.282 419 R C -1.697 174.801 176.300 0.330 0.000 0.969 419 R CA -0.895 55.366 56.100 0.268 0.000 0.918 419 R CB 1.279 31.680 30.300 0.167 0.000 1.175 419 R HN 0.849 nan 8.270 nan 0.000 0.464 420 L N 3.117 124.521 121.223 0.302 0.000 2.410 420 L HA 0.202 4.542 4.340 -0.000 0.000 0.273 420 L C 0.925 177.897 176.870 0.169 0.000 1.144 420 L CA -0.058 54.937 54.840 0.259 0.000 0.863 420 L CB 1.143 43.361 42.059 0.266 0.000 1.140 420 L HN 1.057 nan 8.230 nan 0.000 0.463 421 T N -0.333 114.300 114.554 0.131 0.000 2.995 421 T HA 0.241 4.591 4.350 -0.000 0.000 0.170 421 T C 0.575 175.309 174.700 0.057 0.000 0.844 421 T CA -0.650 61.504 62.100 0.089 0.000 1.137 421 T CB 0.206 69.124 68.868 0.083 0.000 2.193 421 T HN 0.143 nan 8.240 nan 0.000 0.384 422 K N 1.706 122.134 120.400 0.047 0.000 2.440 422 K HA 0.449 4.769 4.320 -0.000 0.000 0.270 422 K C -0.264 176.356 176.600 0.034 0.000 0.980 422 K CA 0.132 56.435 56.287 0.027 0.000 0.953 422 K CB 0.026 32.531 32.500 0.009 0.000 0.925 422 K HN 0.564 nan 8.250 nan 0.000 0.497 423 I N 0.335 120.914 120.570 0.015 0.000 2.582 423 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 423 I C -0.656 175.481 176.117 0.033 0.000 1.066 423 I CA -1.008 60.302 61.300 0.016 0.000 1.053 423 I CB 2.299 40.270 38.000 -0.050 0.000 1.241 423 I HN 0.500 nan 8.210 nan 0.000 0.421 424 A N 5.216 128.093 122.820 0.096 0.000 2.398 424 A HA 0.865 5.185 4.320 -0.000 0.000 0.301 424 A C -1.258 176.436 177.584 0.184 0.000 1.041 424 A CA -0.559 51.550 52.037 0.120 0.000 0.711 424 A CB 1.725 20.796 19.000 0.117 0.000 1.240 424 A HN 0.412 nan 8.150 nan 0.000 0.420 425 V N 1.993 121.979 119.914 0.119 0.000 2.604 425 V HA 0.504 4.624 4.120 -0.000 0.000 0.305 425 V C -1.055 175.125 176.094 0.143 0.000 1.043 425 V CA -0.527 61.834 62.300 0.101 0.000 0.888 425 V CB 2.017 33.839 31.823 -0.003 0.000 0.995 425 V HN 0.915 nan 8.190 nan 0.000 0.429 426 D N 3.373 123.882 120.400 0.181 0.000 2.461 426 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 426 D C 0.636 177.020 176.300 0.140 0.000 1.094 426 D CA -0.440 53.679 54.000 0.198 0.000 0.868 426 D CB 1.007 42.009 40.800 0.336 0.000 1.062 426 D HN 0.593 nan 8.370 nan 0.000 0.530 427 N N 2.669 121.430 118.700 0.102 0.000 2.336 427 N HA 0.041 4.781 4.740 -0.000 0.000 0.189 427 N C -0.092 175.466 175.510 0.080 0.000 1.113 427 N CA -0.253 52.842 53.050 0.075 0.000 0.858 427 N CB 0.489 39.006 38.487 0.049 0.000 0.970 427 N HN 0.203 nan 8.380 nan 0.000 0.471 428 A N -0.322 122.562 122.820 0.106 0.000 2.959 428 A HA 0.719 5.039 4.320 -0.000 0.000 0.280 428 A C 0.100 177.768 177.584 0.140 0.000 0.953 428 A CA -0.453 51.646 52.037 0.104 0.000 1.047 428 A CB -0.217 18.840 19.000 0.095 0.000 1.147 428 A HN 0.389 nan 8.150 nan 0.000 0.489 429 A N 0.006 122.910 122.820 0.140 0.000 2.302 429 A HA 0.862 5.182 4.320 -0.000 0.000 0.285 429 A C 0.868 178.507 177.584 0.091 0.000 1.105 429 A CA 0.389 52.507 52.037 0.134 0.000 0.816 429 A CB 0.279 19.258 19.000 -0.034 0.000 1.067 429 A HN 2.353 nan 8.150 nan 0.000 0.489 430 G N 1.208 110.059 108.800 0.085 0.000 2.592 430 G HA2 0.028 3.988 3.960 -0.000 0.000 0.684 430 G HA3 0.028 3.988 3.960 -0.000 0.000 0.684 430 G C -2.093 172.855 174.900 0.080 0.000 1.291 430 G CA -0.157 44.990 45.100 0.079 0.000 0.891 430 G HN 0.537 nan 8.290 nan 0.000 0.544 431 P HA 0.052 nan 4.420 nan 0.000 0.216 431 P C 1.070 178.249 177.300 -0.201 0.000 1.153 431 P CA 1.494 64.481 63.100 -0.189 0.000 0.844 431 P CB -0.041 31.388 31.700 -0.452 0.000 0.787 432 Y N -0.766 119.579 120.300 0.075 0.000 2.461 432 Y HA 0.180 4.729 4.550 -0.000 0.000 0.277 432 Y C 0.799 176.713 175.900 0.023 0.000 1.182 432 Y CA -0.341 57.782 58.100 0.038 0.000 1.276 432 Y CB -1.219 37.249 38.460 0.014 0.000 1.087 432 Y HN -0.017 nan 8.280 nan 0.000 0.519 433 Q N 0.996 120.885 119.800 0.148 0.000 2.437 433 Q HA -0.277 4.063 4.340 -0.000 0.000 0.274 433 Q C -0.110 175.934 176.000 0.072 0.000 1.165 433 Q CA 0.858 56.729 55.803 0.114 0.000 0.925 433 Q CB -1.460 27.339 28.738 0.103 0.000 1.327 433 Q HN 0.653 nan 8.270 nan 0.000 0.505 434 N N -0.559 118.154 118.700 0.021 0.000 2.416 434 N HA 0.054 4.794 4.740 -0.000 0.000 0.267 434 N C -0.924 174.403 175.510 -0.306 0.000 1.294 434 N CA -0.158 52.823 53.050 -0.116 0.000 0.891 434 N CB 0.574 38.975 38.487 -0.143 0.000 1.238 434 N HN 0.188 nan 8.380 nan 0.000 0.508 435 H N -0.433 118.657 119.070 0.034 0.000 2.717 435 H HA 0.417 4.973 4.556 -0.000 0.000 0.366 435 H C -0.633 174.696 175.328 0.002 0.000 1.132 435 H CA -0.306 55.744 56.048 0.004 0.000 1.180 435 H CB 2.218 31.956 29.762 -0.040 0.000 1.678 435 H HN -0.040 nan 8.280 nan 0.000 0.537 436 T N 3.123 117.769 114.554 0.153 0.000 2.770 436 T HA 0.312 4.662 4.350 -0.000 0.000 0.297 436 T C 0.101 174.851 174.700 0.083 0.000 0.997 436 T CA -0.530 61.631 62.100 0.101 0.000 0.949 436 T CB 0.517 69.436 68.868 0.085 0.000 0.941 436 T HN 0.153 nan 8.240 nan 0.000 0.457 437 V N 4.620 124.562 119.914 0.047 0.000 2.435 437 V HA 0.499 4.619 4.120 -0.000 0.000 0.290 437 V C -0.060 176.010 176.094 -0.041 0.000 1.030 437 V CA -0.730 61.555 62.300 -0.025 0.000 0.881 437 V CB 1.866 33.627 31.823 -0.104 0.000 0.983 437 V HN 0.632 nan 8.190 nan 0.000 0.445 438 V N 5.261 125.139 119.914 -0.061 0.000 2.459 438 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 438 V C -0.727 175.294 176.094 -0.121 0.000 1.029 438 V CA -0.497 61.779 62.300 -0.041 0.000 0.874 438 V CB 1.579 33.369 31.823 -0.055 0.000 0.985 438 V HN 0.659 nan 8.190 nan 0.000 0.438 439 F N 4.761 124.792 119.950 0.135 0.000 2.458 439 F HA 0.685 5.212 4.527 -0.000 0.000 0.336 439 F C -0.079 175.786 175.800 0.108 0.000 1.114 439 F CA -0.630 57.452 58.000 0.137 0.000 0.987 439 F CB 1.628 40.677 39.000 0.082 0.000 1.130 439 F HN 0.166 nan 8.300 nan 0.000 0.458 440 L N 2.994 124.412 121.223 0.325 0.000 2.356 440 L HA 0.695 5.035 4.340 -0.000 0.000 0.277 440 L C 0.401 177.386 176.870 0.191 0.000 0.996 440 L CA -0.738 54.236 54.840 0.224 0.000 0.822 440 L CB 1.646 43.853 42.059 0.247 0.000 1.256 440 L HN 0.751 nan 8.230 nan 0.000 0.413 441 G N 1.226 110.099 108.800 0.122 0.000 2.535 441 G HA2 0.679 4.639 3.960 -0.000 0.000 0.303 441 G HA3 0.679 4.639 3.960 -0.000 0.000 0.303 441 G C -0.462 174.481 174.900 0.073 0.000 1.237 441 G CA -0.170 44.971 45.100 0.069 0.000 0.986 441 G HN 0.638 nan 8.290 nan 0.000 0.494 442 S N -2.228 113.491 115.700 0.031 0.000 2.685 442 S HA 0.362 4.832 4.470 -0.000 0.000 0.282 442 S C 0.540 175.170 174.600 0.050 0.000 1.159 442 S CA -0.073 58.157 58.200 0.050 0.000 0.833 442 S CB 1.790 64.951 63.200 -0.065 0.000 1.151 442 S HN 0.790 nan 8.310 nan 0.000 0.485 443 E N -0.040 120.210 120.200 0.082 0.000 2.511 443 E HA 0.089 4.439 4.350 -0.000 0.000 0.196 443 E C 0.464 177.101 176.600 0.062 0.000 1.066 443 E CA 0.261 56.700 56.400 0.066 0.000 0.871 443 E CB -0.169 29.562 29.700 0.051 0.000 0.863 443 E HN 0.421 nan 8.360 nan 0.000 0.520 444 K N 0.142 120.572 120.400 0.051 0.000 2.478 444 K HA 0.155 4.475 4.320 -0.000 0.000 0.205 444 K C 0.695 177.312 176.600 0.029 0.000 1.033 444 K CA 0.375 56.677 56.287 0.025 0.000 1.091 444 K CB 1.332 33.865 32.500 0.055 0.000 0.844 444 K HN 0.300 nan 8.250 nan 0.000 0.507 445 G N 1.749 110.626 108.800 0.129 0.000 2.162 445 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 445 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 445 G C 0.253 175.262 174.900 0.183 0.000 0.976 445 G CA -0.076 45.217 45.100 0.320 0.000 0.655 445 G HN 0.225 nan 8.290 nan 0.000 0.533 446 I N 1.545 122.109 120.570 -0.009 0.000 2.428 446 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 446 I C 0.752 176.860 176.117 -0.016 0.000 1.019 446 I CA -0.853 60.407 61.300 -0.066 0.000 1.351 446 I CB 1.014 38.815 38.000 -0.332 0.000 1.412 446 I HN -0.046 nan 8.210 nan 0.000 0.513 447 I N 6.434 127.049 120.570 0.074 0.000 2.441 447 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 447 I C -0.478 175.751 176.117 0.185 0.000 0.994 447 I CA -0.842 60.540 61.300 0.137 0.000 1.144 447 I CB 1.963 40.059 38.000 0.160 0.000 1.314 447 I HN 0.214 nan 8.210 nan 0.000 0.445 448 L N 5.946 127.306 121.223 0.228 0.000 2.341 448 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 448 L C -0.028 176.891 176.870 0.080 0.000 1.005 448 L CA -0.399 54.548 54.840 0.178 0.000 0.818 448 L CB 1.393 43.584 42.059 0.219 0.000 1.259 448 L HN 0.472 nan 8.230 nan 0.000 0.418 449 K N 2.871 123.166 120.400 -0.175 0.000 2.323 449 K HA 0.700 5.020 4.320 -0.000 0.000 0.259 449 K C -1.629 174.622 176.600 -0.581 0.000 0.947 449 K CA -0.363 55.730 56.287 -0.324 0.000 0.819 449 K CB 0.922 33.310 32.500 -0.186 0.000 1.109 449 K HN 0.316 nan 8.250 nan 0.000 0.429 450 F N 2.872 122.713 119.950 -0.182 0.000 2.577 450 F HA 0.387 4.914 4.527 -0.000 0.000 0.318 450 F C -0.403 175.354 175.800 -0.072 0.000 1.065 450 F CA -1.165 56.776 58.000 -0.098 0.000 0.929 450 F CB 1.391 40.354 39.000 -0.062 0.000 1.237 450 F HN 0.188 nan 8.300 nan 0.000 0.468 451 L N 2.525 123.820 121.223 0.121 0.000 2.289 451 L HA 0.698 5.038 4.340 -0.000 0.000 0.285 451 L C -0.461 176.508 176.870 0.165 0.000 1.049 451 L CA -0.503 54.382 54.840 0.074 0.000 0.804 451 L CB 0.890 42.935 42.059 -0.023 0.000 1.195 451 L HN 0.769 nan 8.230 nan 0.000 0.428 452 A N 6.917 129.878 122.820 0.236 0.000 2.343 452 A HA 0.394 4.714 4.320 -0.000 0.000 0.305 452 A C 0.364 178.047 177.584 0.165 0.000 1.308 452 A CA -0.563 51.665 52.037 0.318 0.000 0.949 452 A CB -0.033 19.187 19.000 0.367 0.000 1.148 452 A HN 0.785 nan 8.150 nan 0.000 0.545 453 R N 1.811 122.356 120.500 0.075 0.000 2.623 453 R HA 0.166 4.506 4.340 -0.000 0.000 0.271 453 R C -0.479 175.860 176.300 0.067 0.000 1.043 453 R CA 0.160 56.285 56.100 0.042 0.000 1.083 453 R CB 0.415 30.702 30.300 -0.022 0.000 0.974 453 R HN 0.539 nan 8.270 nan 0.000 0.436 454 I N 1.839 122.442 120.570 0.056 0.000 2.389 454 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 454 I C 0.929 177.060 176.117 0.024 0.000 0.999 454 I CA -0.420 60.907 61.300 0.045 0.000 1.129 454 I CB 1.158 39.183 38.000 0.042 0.000 1.288 454 I HN 0.627 nan 8.210 nan 0.000 0.444 455 G N 3.616 112.426 108.800 0.017 0.000 2.528 455 G HA2 0.383 4.343 3.960 -0.000 0.000 0.289 455 G HA3 0.383 4.343 3.960 -0.000 0.000 0.289 455 G C 0.016 174.918 174.900 0.003 0.000 1.192 455 G CA -0.185 44.919 45.100 0.005 0.000 0.921 455 G HN 0.552 nan 8.290 nan 0.000 0.512 461 N N 1.179 119.896 118.700 0.029 0.000 2.484 461 N HA 0.407 5.147 4.740 -0.000 0.000 0.245 461 N C 0.854 176.328 175.510 -0.061 0.000 1.184 461 N CA 1.168 54.210 53.050 -0.012 0.000 0.884 461 N CB 0.512 38.990 38.487 -0.014 0.000 1.182 461 N HN 0.739 nan 8.380 nan 0.000 0.493 462 G N -0.851 107.894 108.800 -0.092 0.000 2.416 462 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.203 462 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.203 462 G C -1.115 173.441 174.900 -0.575 0.000 1.227 462 G CA -0.261 44.652 45.100 -0.311 0.000 1.041 462 G HN 0.959 nan 8.290 nan 0.000 0.546 463 S N -1.353 113.938 115.700 -0.681 0.000 2.564 463 S HA 0.742 5.212 4.470 -0.000 0.000 0.274 463 S C -1.236 173.201 174.600 -0.271 0.000 1.124 463 S CA -0.333 57.423 58.200 -0.739 0.000 0.869 463 S CB 2.176 64.306 63.200 -1.784 0.000 1.105 463 S HN 1.974 nan 8.310 nan 0.000 0.472 464 L N 2.589 123.761 121.223 -0.086 0.000 2.305 464 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 464 L C -0.935 176.026 176.870 0.152 0.000 1.013 464 L CA -0.873 53.987 54.840 0.033 0.000 0.819 464 L CB 0.861 42.919 42.059 -0.002 0.000 1.227 464 L HN 0.864 nan 8.230 nan 0.000 0.417 465 F N 6.126 126.064 119.950 -0.020 0.000 2.462 465 F HA 0.131 4.658 4.527 -0.000 0.000 0.360 465 F C 0.643 176.265 175.800 -0.297 0.000 1.134 465 F CA -0.387 57.451 58.000 -0.269 0.000 1.148 465 F CB 0.733 39.683 39.000 -0.083 0.000 1.147 465 F HN 0.617 nan 8.300 nan 0.000 0.550 466 L N 3.749 124.939 121.223 -0.055 0.000 2.168 466 L HA 0.174 4.514 4.340 -0.000 0.000 0.203 466 L C 0.230 176.977 176.870 -0.204 0.000 1.078 466 L CA 0.777 55.537 54.840 -0.132 0.000 0.780 466 L CB 0.082 42.072 42.059 -0.115 0.000 0.939 466 L HN 0.575 nan 8.230 nan 0.000 0.451 467 E N -0.423 119.641 120.200 -0.227 0.000 2.388 467 E HA 0.145 4.495 4.350 -0.000 0.000 0.282 467 E C -1.521 175.037 176.600 -0.070 0.000 1.026 467 E CA -0.451 55.840 56.400 -0.183 0.000 0.820 467 E CB 1.893 31.571 29.700 -0.036 0.000 1.226 467 E HN 0.043 nan 8.360 nan 0.000 0.432 468 E N 5.255 125.408 120.200 -0.079 0.000 2.199 468 E HA 0.474 4.824 4.350 -0.000 0.000 0.265 468 E C -1.115 175.525 176.600 0.067 0.000 0.882 468 E CA -0.653 55.789 56.400 0.070 0.000 0.759 468 E CB 1.078 30.825 29.700 0.078 0.000 1.148 468 E HN 0.465 nan 8.360 nan 0.000 0.412 469 M N 2.571 122.238 119.600 0.111 0.000 2.327 469 M HA 0.467 4.947 4.480 -0.000 0.000 0.298 469 M C -1.173 175.204 176.300 0.128 0.000 1.065 469 M CA -1.062 54.310 55.300 0.120 0.000 0.916 469 M CB 1.668 34.363 32.600 0.159 0.000 1.630 469 M HN 0.263 nan 8.290 nan 0.000 0.442 470 N N 2.226 120.998 118.700 0.119 0.000 2.422 470 N HA 0.444 5.184 4.740 -0.000 0.000 0.264 470 N C 0.221 175.836 175.510 0.174 0.000 1.063 470 N CA -0.502 52.627 53.050 0.130 0.000 0.959 470 N CB 1.456 40.002 38.487 0.099 0.000 1.087 470 N HN 0.696 nan 8.380 nan 0.000 0.483 471 V N 1.700 121.758 119.914 0.240 0.000 3.432 471 V HA 0.346 4.466 4.120 -0.000 0.000 0.298 471 V C 0.006 176.246 176.094 0.245 0.000 1.464 471 V CA -0.493 61.978 62.300 0.285 0.000 1.046 471 V CB -1.376 30.646 31.823 0.333 0.000 0.887 471 V HN 0.595 nan 8.190 nan 0.000 0.441 472 Y N 3.161 123.477 120.300 0.026 0.000 2.465 472 Y HA 0.414 4.964 4.550 -0.000 0.000 0.331 472 Y C 0.537 176.315 175.900 -0.204 0.000 1.102 472 Y CA -0.160 57.752 58.100 -0.313 0.000 1.358 472 Y CB 0.524 38.747 38.460 -0.395 0.000 1.213 472 Y HN 0.367 nan 8.280 nan 0.000 0.525 473 N N 8.801 127.047 118.700 -0.758 0.000 2.678 473 N HA 0.246 4.986 4.740 -0.000 0.000 0.231 473 N C -2.296 172.793 175.510 -0.703 0.000 1.038 473 N CA -2.400 50.334 53.050 -0.527 0.000 0.932 473 N CB 1.223 39.511 38.487 -0.332 0.000 1.176 473 N HN 0.393 nan 8.380 nan 0.000 0.511 474 P HA -0.098 nan 4.420 nan 0.000 0.220 474 P C 0.983 178.179 177.300 -0.174 0.000 1.148 474 P CA 0.957 63.922 63.100 -0.225 0.000 0.803 474 P CB 0.578 32.290 31.700 0.020 0.000 0.782 475 E N -0.008 120.092 120.200 -0.168 0.000 2.047 475 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 475 E C 1.565 178.086 176.600 -0.131 0.000 0.987 475 E CA 1.044 57.373 56.400 -0.118 0.000 0.799 475 E CB -0.038 29.600 29.700 -0.104 0.000 0.752 475 E HN 0.046 nan 8.360 nan 0.000 0.449 476 K N -0.758 119.530 120.400 -0.186 0.000 2.379 476 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 476 K C 1.545 178.030 176.600 -0.192 0.000 1.031 476 K CA 0.254 56.439 56.287 -0.170 0.000 1.037 476 K CB 0.583 32.982 32.500 -0.168 0.000 0.824 476 K HN 0.263 nan 8.250 nan 0.000 0.516 477 c N 0.700 119.132 118.600 -0.280 0.000 3.123 477 c HA 0.098 4.668 4.570 -0.000 0.000 0.399 477 c C 1.428 175.484 174.090 -0.055 0.000 1.320 477 c CA -0.434 55.735 56.329 -0.267 0.000 1.949 477 c CB -0.062 42.054 42.510 -0.658 0.000 2.692 477 c HN 0.415 nan 8.230 nan 0.000 0.623 478 S N 0.377 116.064 115.700 -0.023 0.000 2.572 478 S HA 0.210 4.680 4.470 -0.000 0.000 0.267 478 S C -0.894 173.805 174.600 0.165 0.000 1.361 478 S CA 0.415 58.690 58.200 0.125 0.000 1.009 478 S CB 0.241 63.490 63.200 0.083 0.000 0.888 478 S HN 0.594 nan 8.310 nan 0.000 0.553 479 Y N 0.194 120.511 120.300 0.030 0.000 2.298 479 Y HA 0.292 4.842 4.550 -0.000 0.000 0.322 479 Y C -1.098 174.815 175.900 0.022 0.000 1.138 479 Y CA -0.474 57.636 58.100 0.018 0.000 1.127 479 Y CB 0.660 39.134 38.460 0.024 0.000 1.178 479 Y HN 0.888 nan 8.280 nan 0.000 0.428 480 D N 4.607 124.767 120.400 -0.399 0.000 2.699 480 D HA -0.162 4.478 4.640 -0.000 0.000 0.239 480 D C 1.224 177.462 176.300 -0.103 0.000 1.136 480 D CA 2.315 56.123 54.000 -0.321 0.000 0.668 480 D CB -1.115 39.398 40.800 -0.478 0.000 1.060 480 D HN 1.383 nan 8.370 nan 0.000 0.429 481 G N -2.110 106.659 108.800 -0.051 0.000 2.347 481 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.247 481 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.247 481 G C 0.446 175.364 174.900 0.029 0.000 1.037 481 G CA 0.435 45.530 45.100 -0.008 0.000 0.622 481 G HN 1.125 nan 8.290 nan 0.000 0.521 482 V N 1.023 120.972 119.914 0.058 0.000 2.607 482 V HA 0.692 4.812 4.120 -0.000 0.000 0.289 482 V C -0.085 176.071 176.094 0.103 0.000 1.053 482 V CA -0.114 62.233 62.300 0.078 0.000 0.996 482 V CB 1.580 33.463 31.823 0.100 0.000 0.995 482 V HN 0.335 nan 8.190 nan 0.000 0.476 483 E N 4.071 124.306 120.200 0.058 0.000 2.255 483 E HA 0.265 4.615 4.350 -0.000 0.000 0.245 483 E C -1.461 175.079 176.600 -0.100 0.000 0.909 483 E CA -0.367 56.049 56.400 0.027 0.000 0.747 483 E CB 0.946 30.642 29.700 -0.007 0.000 1.215 483 E HN 0.754 nan 8.360 nan 0.000 0.424 484 D N 2.980 123.357 120.400 -0.038 0.000 2.441 484 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 484 D C 0.151 176.380 176.300 -0.119 0.000 1.156 484 D CA -0.069 53.906 54.000 -0.041 0.000 0.896 484 D CB 0.644 41.480 40.800 0.060 0.000 1.028 484 D HN 0.210 nan 8.370 nan 0.000 0.509 485 K N 2.463 122.716 120.400 -0.246 0.000 2.417 485 K HA 0.136 4.456 4.320 -0.000 0.000 0.196 485 K C 0.499 177.209 176.600 0.184 0.000 1.023 485 K CA -0.229 55.888 56.287 -0.284 0.000 1.122 485 K CB 0.522 32.760 32.500 -0.438 0.000 0.850 485 K HN 0.156 nan 8.250 nan 0.000 0.521 486 R N 1.468 122.064 120.500 0.161 0.000 2.449 486 R HA 0.139 4.479 4.340 -0.000 0.000 0.296 486 R C -0.001 176.377 176.300 0.130 0.000 1.047 486 R CA 0.055 56.237 56.100 0.137 0.000 1.018 486 R CB 0.389 30.741 30.300 0.087 0.000 0.962 486 R HN 0.078 nan 8.270 nan 0.000 0.428 487 I N 4.573 125.133 120.570 -0.017 0.000 2.452 487 I HA -0.068 4.102 4.170 -0.000 0.000 0.287 487 I C 1.303 177.353 176.117 -0.111 0.000 1.079 487 I CA 0.037 61.190 61.300 -0.244 0.000 1.387 487 I CB 1.025 38.876 38.000 -0.248 0.000 1.404 487 I HN 0.548 nan 8.210 nan 0.000 0.522 488 M N 4.645 124.174 119.600 -0.118 0.000 2.510 488 M HA 0.282 4.762 4.480 -0.000 0.000 0.256 488 M C 0.754 177.041 176.300 -0.022 0.000 1.132 488 M CA 0.213 55.500 55.300 -0.022 0.000 1.105 488 M CB -0.292 32.320 32.600 0.020 0.000 1.375 488 M HN 0.698 nan 8.290 nan 0.000 0.477 489 G N 0.572 109.331 108.800 -0.068 0.000 2.442 489 G HA2 0.541 4.501 3.960 -0.000 0.000 0.296 489 G HA3 0.541 4.501 3.960 -0.000 0.000 0.296 489 G C -1.592 173.269 174.900 -0.064 0.000 1.564 489 G CA -0.825 44.251 45.100 -0.039 0.000 0.828 489 G HN 0.080 nan 8.290 nan 0.000 0.571 490 M N 1.253 120.832 119.600 -0.035 0.000 2.393 490 M HA 0.496 4.976 4.480 -0.000 0.000 0.299 490 M C -1.116 175.183 176.300 -0.002 0.000 1.103 490 M CA -0.837 54.441 55.300 -0.037 0.000 0.910 490 M CB 2.807 35.380 32.600 -0.046 0.000 1.659 490 M HN 0.330 nan 8.290 nan 0.000 0.445 491 Q N 3.509 123.324 119.800 0.025 0.000 2.303 491 Q HA 0.466 4.806 4.340 -0.000 0.000 0.267 491 Q C -1.461 174.593 176.000 0.090 0.000 1.011 491 Q CA -0.408 55.428 55.803 0.054 0.000 0.740 491 Q CB 3.190 31.952 28.738 0.041 0.000 1.250 491 Q HN 0.794 nan 8.270 nan 0.000 0.458 492 L N 2.640 123.890 121.223 0.045 0.000 2.290 492 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 492 L C -0.712 176.203 176.870 0.075 0.000 1.078 492 L CA -0.070 54.782 54.840 0.020 0.000 0.815 492 L CB 0.674 42.760 42.059 0.045 0.000 1.162 492 L HN 0.468 nan 8.230 nan 0.000 0.435 493 D N 3.409 123.859 120.400 0.084 0.000 2.462 493 D HA 0.270 4.910 4.640 -0.000 0.000 0.245 493 D C 0.921 177.258 176.300 0.061 0.000 1.122 493 D CA -0.421 53.643 54.000 0.107 0.000 0.864 493 D CB 1.121 42.052 40.800 0.219 0.000 1.098 493 D HN 0.452 nan 8.370 nan 0.000 0.541 494 R N 2.400 122.942 120.500 0.070 0.000 2.080 494 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 494 R C 1.921 178.258 176.300 0.063 0.000 1.137 494 R CA 1.548 57.695 56.100 0.077 0.000 0.943 494 R CB -0.240 30.122 30.300 0.105 0.000 0.846 494 R HN 0.503 nan 8.270 nan 0.000 0.431 495 A N 0.764 123.618 122.820 0.058 0.000 1.986 495 A HA -0.169 4.150 4.320 -0.000 0.000 0.220 495 A C 1.946 179.553 177.584 0.038 0.000 1.171 495 A CA 2.043 54.106 52.037 0.044 0.000 0.640 495 A CB -0.280 18.745 19.000 0.041 0.000 0.811 495 A HN 0.477 nan 8.150 nan 0.000 0.451 496 S N -2.505 113.223 115.700 0.047 0.000 2.593 496 S HA 0.429 4.899 4.470 -0.000 0.000 0.236 496 S C 1.123 175.726 174.600 0.005 0.000 0.991 496 S CA 0.856 59.080 58.200 0.039 0.000 0.963 496 S CB -0.257 62.987 63.200 0.073 0.000 0.865 496 S HN 1.875 nan 8.310 nan 0.000 0.488 497 G N 0.999 109.803 108.800 0.007 0.000 2.341 497 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.292 497 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.292 497 G C -0.037 174.757 174.900 -0.176 0.000 1.021 497 G CA 0.461 45.549 45.100 -0.019 0.000 0.905 497 G HN 0.706 nan 8.290 nan 0.000 0.508 498 S N -1.293 114.274 115.700 -0.222 0.000 2.568 498 S HA 0.723 5.193 4.470 -0.000 0.000 0.293 498 S C -0.613 173.711 174.600 -0.461 0.000 1.089 498 S CA -0.755 57.184 58.200 -0.435 0.000 0.945 498 S CB 2.291 65.099 63.200 -0.652 0.000 1.077 498 S HN 0.884 nan 8.310 nan 0.000 0.485 499 L N 2.946 123.816 121.223 -0.589 0.000 2.294 499 L HA 0.537 4.877 4.340 -0.000 0.000 0.283 499 L C -1.828 174.734 176.870 -0.514 0.000 1.015 499 L CA -0.333 54.206 54.840 -0.501 0.000 0.831 499 L CB 0.212 41.872 42.059 -0.665 0.000 1.217 499 L HN 0.633 nan 8.230 nan 0.000 0.420 500 Y N 4.451 124.634 120.300 -0.194 0.000 2.365 500 Y HA 0.489 5.039 4.550 -0.000 0.000 0.340 500 Y C 0.076 175.887 175.900 -0.147 0.000 1.016 500 Y CA -0.481 57.528 58.100 -0.152 0.000 1.196 500 Y CB 1.154 39.538 38.460 -0.127 0.000 1.167 500 Y HN 0.273 nan 8.280 nan 0.000 0.509 501 V N 3.785 123.679 119.914 -0.034 0.000 2.409 501 V HA 0.666 4.786 4.120 -0.000 0.000 0.291 501 V C -0.084 175.927 176.094 -0.139 0.000 1.020 501 V CA -1.023 61.200 62.300 -0.128 0.000 0.848 501 V CB 1.243 32.969 31.823 -0.161 0.000 0.990 501 V HN 0.860 nan 8.190 nan 0.000 0.430 502 A N 5.456 128.160 122.820 -0.193 0.000 2.274 502 A HA 0.875 5.195 4.320 -0.000 0.000 0.309 502 A C -0.795 176.624 177.584 -0.276 0.000 1.226 502 A CA -0.233 51.742 52.037 -0.104 0.000 0.853 502 A CB 0.283 19.271 19.000 -0.020 0.000 1.146 502 A HN 0.609 nan 8.150 nan 0.000 0.518 503 F N 0.882 120.898 119.950 0.110 0.000 2.518 503 F HA 0.365 4.892 4.527 -0.000 0.000 0.338 503 F C 1.825 177.687 175.800 0.105 0.000 1.065 503 F CA -0.171 57.906 58.000 0.128 0.000 1.012 503 F CB 1.225 40.352 39.000 0.212 0.000 1.297 503 F HN 0.541 nan 8.300 nan 0.000 0.489 504 S N -0.422 115.456 115.700 0.295 0.000 2.387 504 S HA -0.185 4.285 4.470 -0.000 0.000 0.230 504 S C 1.708 176.391 174.600 0.140 0.000 1.035 504 S CA 2.076 60.382 58.200 0.176 0.000 1.014 504 S CB -0.593 62.687 63.200 0.133 0.000 0.836 504 S HN 0.831 nan 8.310 nan 0.000 0.466 505 T N -2.395 112.258 114.554 0.164 0.000 3.001 505 T HA 0.346 4.696 4.350 -0.000 0.000 0.251 505 T C 0.528 175.249 174.700 0.035 0.000 1.040 505 T CA 0.159 62.293 62.100 0.057 0.000 0.985 505 T CB -0.404 68.493 68.868 0.048 0.000 1.011 505 T HN 0.580 nan 8.240 nan 0.000 0.509 506 c N -0.239 118.447 118.600 0.144 0.000 3.285 506 c HA 0.858 5.428 4.570 -0.000 0.000 0.325 506 c C -1.055 173.197 174.090 0.270 0.000 1.304 506 c CA -1.197 55.213 56.329 0.135 0.000 1.319 506 c CB 1.326 43.860 42.510 0.040 0.000 1.640 506 c HN 0.151 nan 8.230 nan 0.000 0.477 507 V N 1.907 121.991 119.914 0.284 0.000 2.495 507 V HA 0.578 4.698 4.120 -0.000 0.000 0.298 507 V C -0.166 176.053 176.094 0.209 0.000 1.031 507 V CA -0.320 62.120 62.300 0.234 0.000 0.871 507 V CB 1.606 33.521 31.823 0.154 0.000 0.988 507 V HN 0.810 nan 8.190 nan 0.000 0.432 508 I N 3.724 124.402 120.570 0.181 0.000 2.404 508 I HA 0.423 4.593 4.170 -0.000 0.000 0.293 508 I C -0.061 176.032 176.117 -0.041 0.000 0.992 508 I CA -0.855 60.513 61.300 0.113 0.000 1.149 508 I CB 1.924 40.041 38.000 0.195 0.000 1.315 508 I HN 0.524 nan 8.210 nan 0.000 0.446 509 K N 6.391 126.718 120.400 -0.121 0.000 2.231 509 K HA 0.354 4.674 4.320 -0.000 0.000 0.275 509 K C -1.273 175.022 176.600 -0.507 0.000 1.105 509 K CA -0.211 55.850 56.287 -0.377 0.000 0.931 509 K CB 0.302 32.666 32.500 -0.226 0.000 1.296 509 K HN 0.377 nan 8.250 nan 0.000 0.446 510 V N 7.050 126.590 119.914 -0.623 0.000 2.407 510 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 510 V C -2.114 173.606 176.094 -0.624 0.000 1.037 510 V CA -2.369 59.480 62.300 -0.751 0.000 0.900 510 V CB 1.207 32.679 31.823 -0.585 0.000 0.983 510 V HN 0.734 nan 8.190 nan 0.000 0.459 511 P HA 0.115 nan 4.420 nan 0.000 0.263 511 P C 1.029 178.138 177.300 -0.318 0.000 1.195 511 P CA 0.208 63.104 63.100 -0.340 0.000 0.762 511 P CB 0.570 32.154 31.700 -0.194 0.000 0.799 512 L N 2.027 123.029 121.223 -0.368 0.000 2.079 512 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 512 L C 1.293 178.021 176.870 -0.237 0.000 1.081 512 L CA 1.633 56.203 54.840 -0.450 0.000 0.752 512 L CB -0.546 41.003 42.059 -0.850 0.000 0.896 512 L HN 0.508 nan 8.230 nan 0.000 0.433 513 G N -0.760 107.903 108.800 -0.228 0.000 2.626 513 G HA2 0.379 4.339 3.960 -0.000 0.000 0.304 513 G HA3 0.379 4.339 3.960 -0.000 0.000 0.304 513 G C -0.296 174.607 174.900 0.005 0.000 1.385 513 G CA -0.593 44.514 45.100 0.012 0.000 0.957 513 G HN 0.012 nan 8.290 nan 0.000 0.504 514 R N 2.481 123.026 120.500 0.074 0.000 4.680 514 R HA 0.112 4.452 4.340 -0.000 0.000 0.222 514 R C 0.953 177.283 176.300 0.050 0.000 1.803 514 R CA -0.387 55.759 56.100 0.076 0.000 1.560 514 R CB -0.374 29.976 30.300 0.084 0.000 1.412 514 R HN 0.646 nan 8.270 nan 0.000 0.815 515 c N 0.608 119.256 118.600 0.081 0.000 2.401 515 c HA -0.108 4.462 4.570 -0.000 0.000 0.276 515 c C 2.165 176.325 174.090 0.117 0.000 1.233 515 c CA 0.628 57.036 56.329 0.132 0.000 1.753 515 c CB -0.266 42.304 42.510 0.100 0.000 2.029 515 c HN 0.578 nan 8.230 nan 0.000 0.478 516 E N 0.724 120.972 120.200 0.082 0.000 2.268 516 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 516 E C 2.022 178.637 176.600 0.025 0.000 0.995 516 E CA 0.663 57.109 56.400 0.077 0.000 0.836 516 E CB -0.470 29.286 29.700 0.093 0.000 0.763 516 E HN 0.624 nan 8.360 nan 0.000 0.491 517 R N 1.033 121.481 120.500 -0.087 0.000 2.094 517 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 517 R C 1.310 177.459 176.300 -0.252 0.000 1.137 517 R CA 1.302 57.227 56.100 -0.291 0.000 0.943 517 R CB -0.336 29.652 30.300 -0.520 0.000 0.850 517 R HN 0.237 nan 8.270 nan 0.000 0.433 522 K N 3.894 123.860 120.400 -0.723 0.000 2.057 522 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 522 K C 2.027 178.317 176.600 -0.516 0.000 1.050 522 K CA 1.989 57.573 56.287 -1.172 0.000 0.935 522 K CB -0.060 31.548 32.500 -1.487 0.000 0.715 522 K HN 0.769 nan 8.250 nan 0.000 0.439 523 K N -0.006 120.192 120.400 -0.336 0.000 1.978 523 K HA -0.147 4.173 4.320 -0.000 0.000 0.214 523 K C 1.865 178.364 176.600 -0.169 0.000 1.049 523 K CA 2.222 58.381 56.287 -0.214 0.000 0.939 523 K CB -0.365 32.042 32.500 -0.156 0.000 0.721 523 K HN 0.126 nan 8.250 nan 0.000 0.441 524 T N 1.043 115.519 114.554 -0.130 0.000 2.653 524 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 524 T C 2.013 176.581 174.700 -0.220 0.000 1.035 524 T CA 1.554 63.584 62.100 -0.117 0.000 1.154 524 T CB -0.763 68.103 68.868 -0.004 0.000 0.862 524 T HN 0.486 nan 8.240 nan 0.000 0.441 525 c N 1.287 119.809 118.600 -0.129 0.000 2.413 525 c HA -0.079 4.491 4.570 -0.000 0.000 0.277 525 c C 2.561 176.573 174.090 -0.130 0.000 1.228 525 c CA 0.394 56.672 56.329 -0.086 0.000 1.731 525 c CB -1.432 41.190 42.510 0.185 0.000 2.042 525 c HN 0.461 nan 8.230 nan 0.000 0.468 526 I N 1.758 122.262 120.570 -0.110 0.000 2.179 526 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 526 I C 2.917 178.962 176.117 -0.119 0.000 1.088 526 I CA 2.053 63.298 61.300 -0.092 0.000 1.357 526 I CB -1.911 36.027 38.000 -0.103 0.000 1.051 526 I HN 0.435 nan 8.210 nan 0.000 0.409 527 A N 1.037 123.770 122.820 -0.145 0.000 2.019 527 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 527 A C 2.469 179.955 177.584 -0.163 0.000 1.164 527 A CA 1.961 53.916 52.037 -0.137 0.000 0.644 527 A CB -0.798 18.125 19.000 -0.127 0.000 0.805 527 A HN 0.598 nan 8.150 nan 0.000 0.449 528 S N -0.615 114.939 115.700 -0.244 0.000 2.440 528 S HA -0.210 4.260 4.470 -0.000 0.000 0.238 528 S C 1.114 175.617 174.600 -0.161 0.000 1.010 528 S CA 0.979 59.022 58.200 -0.263 0.000 0.972 528 S CB -0.530 62.385 63.200 -0.475 0.000 0.774 528 S HN 0.622 nan 8.310 nan 0.000 0.501 529 R N 0.777 121.191 120.500 -0.143 0.000 3.741 529 R HA -0.170 4.170 4.340 -0.000 0.000 0.292 529 R C -0.900 175.305 176.300 -0.158 0.000 1.176 529 R CA 0.935 56.956 56.100 -0.133 0.000 0.794 529 R CB -2.422 27.808 30.300 -0.116 0.000 1.213 529 R HN 0.665 nan 8.270 nan 0.000 0.494 530 D N 0.164 120.484 120.400 -0.132 0.000 2.347 530 D HA 0.204 4.844 4.640 -0.000 0.000 0.235 530 D C -1.444 174.760 176.300 -0.162 0.000 1.149 530 D CA -2.624 51.303 54.000 -0.121 0.000 0.850 530 D CB 1.270 42.062 40.800 -0.014 0.000 1.061 530 D HN -0.146 nan 8.370 nan 0.000 0.487 531 P HA -0.130 nan 4.420 nan 0.000 0.221 531 P C 0.315 177.456 177.300 -0.266 0.000 1.145 531 P CA 1.016 63.909 63.100 -0.346 0.000 0.795 531 P CB -0.019 31.387 31.700 -0.490 0.000 0.775 532 Y N -2.192 118.093 120.300 -0.025 0.000 2.523 532 Y HA 0.107 4.657 4.550 -0.000 0.000 0.279 532 Y C 1.112 176.955 175.900 -0.095 0.000 1.139 532 Y CA -0.548 57.505 58.100 -0.079 0.000 1.296 532 Y CB -0.671 37.703 38.460 -0.144 0.000 1.045 532 Y HN -0.072 nan 8.280 nan 0.000 0.538 533 c N -0.029 118.618 118.600 0.079 0.000 2.507 533 c HA 0.914 5.484 4.570 -0.000 0.000 0.319 533 c C 0.835 174.970 174.090 0.075 0.000 1.208 533 c CA -0.800 55.580 56.329 0.085 0.000 1.619 533 c CB 0.960 43.545 42.510 0.125 0.000 2.230 533 c HN 0.526 nan 8.230 nan 0.000 0.492 534 G N 0.716 109.577 108.800 0.102 0.000 2.684 534 G HA2 0.585 4.545 3.960 -0.000 0.000 0.290 534 G HA3 0.585 4.545 3.960 -0.000 0.000 0.290 534 G C -1.873 173.137 174.900 0.183 0.000 1.425 534 G CA -0.324 44.850 45.100 0.123 0.000 0.822 534 G HN 0.808 nan 8.290 nan 0.000 0.482 535 W N 1.591 122.899 121.300 0.014 0.000 2.338 535 W HA 0.556 5.216 4.660 -0.000 0.000 0.307 535 W C -1.113 175.418 176.519 0.021 0.000 1.167 535 W CA -0.780 56.576 57.345 0.017 0.000 1.208 535 W CB 1.493 30.958 29.460 0.008 0.000 1.228 535 W HN 0.382 nan 8.180 nan 0.000 0.499 536 V N 9.503 129.001 119.914 -0.692 0.000 2.325 536 V HA 0.231 4.351 4.120 -0.000 0.000 0.280 536 V C 1.188 176.835 176.094 -0.745 0.000 1.016 536 V CA -0.660 61.337 62.300 -0.506 0.000 0.818 536 V CB 1.076 32.729 31.823 -0.283 0.000 1.019 536 V HN 0.748 nan 8.190 nan 0.000 0.434 537 R N 2.848 123.091 120.500 -0.428 0.000 2.285 537 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 537 R C 0.796 177.028 176.300 -0.114 0.000 1.068 537 R CA 1.483 57.494 56.100 -0.149 0.000 1.004 537 R CB 0.057 30.485 30.300 0.214 0.000 0.873 537 R HN 0.679 nan 8.270 nan 0.000 0.467 538 E N 0.887 121.003 120.200 -0.139 0.000 2.268 538 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 538 E C 0.967 177.502 176.600 -0.109 0.000 0.995 538 E CA 1.333 57.680 56.400 -0.089 0.000 0.836 538 E CB 0.312 29.968 29.700 -0.073 0.000 0.763 538 E HN 0.303 nan 8.360 nan 0.000 0.491 539 S N -1.203 114.383 115.700 -0.191 0.000 2.540 539 S HA 0.255 4.725 4.470 -0.000 0.000 0.222 539 S C 1.037 175.512 174.600 -0.208 0.000 1.008 539 S CA 0.158 58.254 58.200 -0.175 0.000 0.939 539 S CB 1.146 64.235 63.200 -0.185 0.000 0.865 539 S HN 0.363 nan 8.310 nan 0.000 0.499 540 G N 2.837 111.463 108.800 -0.289 0.000 2.366 540 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.299 540 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.299 540 G C 0.079 174.704 174.900 -0.458 0.000 1.020 540 G CA 0.595 45.565 45.100 -0.217 0.000 1.026 540 G HN 0.906 nan 8.290 nan 0.000 0.512 541 S N -2.306 112.733 115.700 -1.102 0.000 2.688 541 S HA 0.689 5.159 4.470 -0.000 0.000 0.275 541 S C -0.468 173.680 174.600 -0.753 0.000 1.175 541 S CA -0.411 57.376 58.200 -0.690 0.000 0.818 541 S CB 2.157 65.202 63.200 -0.258 0.000 1.157 541 S HN 1.261 nan 8.310 nan 0.000 0.482 542 c N 1.591 120.128 118.600 -0.105 0.000 2.303 542 c HA 0.927 5.497 4.570 -0.000 0.000 0.326 542 c C 0.371 174.482 174.090 0.036 0.000 1.285 542 c CA 0.556 56.937 56.329 0.088 0.000 1.675 542 c CB -0.478 42.203 42.510 0.284 0.000 2.289 542 c HN 1.159 nan 8.230 nan 0.000 0.512 543 A N 4.422 127.259 122.820 0.027 0.000 2.532 543 A HA 0.649 4.969 4.320 -0.000 0.000 0.290 543 A C -0.395 177.255 177.584 0.110 0.000 1.143 543 A CA -0.385 51.681 52.037 0.048 0.000 0.728 543 A CB 0.501 19.499 19.000 -0.003 0.000 1.317 543 A HN 0.986 nan 8.150 nan 0.000 0.414 555 Q N 3.166 123.030 119.800 0.107 0.000 2.426 555 Q HA 0.482 4.822 4.340 -0.000 0.000 0.278 555 Q C -1.908 174.132 176.000 0.066 0.000 1.007 555 Q CA -0.989 54.860 55.803 0.077 0.000 0.850 555 Q CB 2.084 30.858 28.738 0.060 0.000 1.427 555 Q HN 0.289 nan 8.270 nan 0.000 0.391 556 D N 2.922 123.340 120.400 0.029 0.000 2.440 556 D HA 0.374 5.014 4.640 -0.000 0.000 0.252 556 D C -0.092 176.200 176.300 -0.013 0.000 1.180 556 D CA -0.533 53.481 54.000 0.023 0.000 0.894 556 D CB 0.992 41.798 40.800 0.010 0.000 1.111 556 D HN 0.726 nan 8.370 nan 0.000 0.544 557 I N 2.027 122.589 120.570 -0.013 0.000 2.852 557 I HA -0.026 4.144 4.170 -0.000 0.000 0.264 557 I C 1.409 177.490 176.117 -0.059 0.000 1.179 557 I CA 0.432 61.670 61.300 -0.103 0.000 1.480 557 I CB 0.310 38.133 38.000 -0.295 0.000 1.111 557 I HN 0.309 nan 8.210 nan 0.000 0.441 558 E N 0.613 120.822 120.200 0.014 0.000 2.371 558 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 558 E C 0.076 176.676 176.600 0.001 0.000 1.012 558 E CA 0.463 56.880 56.400 0.029 0.000 0.860 558 E CB 0.295 30.032 29.700 0.061 0.000 0.811 558 E HN 0.237 nan 8.360 nan 0.000 0.502 559 R N -1.852 118.641 120.500 -0.011 0.000 2.668 559 R HA 0.403 4.743 4.340 -0.000 0.000 0.272 559 R C 0.316 176.594 176.300 -0.037 0.000 1.019 559 R CA -0.280 55.807 56.100 -0.022 0.000 0.894 559 R CB 1.511 31.801 30.300 -0.016 0.000 1.228 559 R HN 0.029 nan 8.270 nan 0.000 0.460 560 G N 1.566 110.339 108.800 -0.046 0.000 3.234 560 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.221 560 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.221 560 G C -0.198 174.667 174.900 -0.058 0.000 1.229 560 G CA -0.354 44.710 45.100 -0.060 0.000 0.909 560 G HN 0.660 nan 8.290 nan 0.000 0.510 561 N N 0.440 119.113 118.700 -0.045 0.000 2.291 561 N HA -0.088 4.652 4.740 -0.000 0.000 0.281 561 N C 0.439 175.915 175.510 -0.056 0.000 1.388 561 N CA 0.641 53.665 53.050 -0.043 0.000 0.920 561 N CB 0.576 39.045 38.487 -0.030 0.000 1.276 561 N HN -0.051 nan 8.380 nan 0.000 0.493 562 T N 0.630 115.146 114.554 -0.062 0.000 3.186 562 T HA 0.011 4.361 4.350 -0.000 0.000 0.257 562 T C -0.634 174.024 174.700 -0.069 0.000 1.029 562 T CA -0.600 61.454 62.100 -0.078 0.000 0.916 562 T CB -0.522 68.296 68.868 -0.083 0.000 1.041 562 T HN 0.431 nan 8.240 nan 0.000 0.562 563 D N 1.936 122.304 120.400 -0.054 0.000 2.661 563 D HA 0.296 4.936 4.640 -0.000 0.000 0.244 563 D C 1.297 177.567 176.300 -0.050 0.000 1.196 563 D CA 1.568 55.541 54.000 -0.045 0.000 0.881 563 D CB -0.336 40.444 40.800 -0.034 0.000 1.141 563 D HN 0.456 nan 8.370 nan 0.000 0.530 564 G N 1.711 110.482 108.800 -0.048 0.000 2.298 564 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.287 564 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.287 564 G C -0.089 174.771 174.900 -0.067 0.000 1.075 564 G CA 0.065 45.136 45.100 -0.049 0.000 0.960 564 G HN 0.461 nan 8.290 nan 0.000 0.502 565 L N -1.336 119.839 121.223 -0.080 0.000 2.223 565 L HA 0.915 5.255 4.340 -0.000 0.000 0.243 565 L C 1.065 177.877 176.870 -0.097 0.000 1.105 565 L CA -0.585 54.190 54.840 -0.108 0.000 0.943 565 L CB 1.527 43.497 42.059 -0.149 0.000 1.542 565 L HN 1.489 nan 8.230 nan 0.000 0.437 566 G N 0.353 109.084 108.800 -0.115 0.000 2.757 566 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.638 566 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.638 566 G C -1.794 173.064 174.900 -0.070 0.000 1.344 566 G CA -0.675 44.370 45.100 -0.092 0.000 0.855 566 G HN 0.572 nan 8.290 nan 0.000 0.537 567 D N -1.090 119.278 120.400 -0.053 0.000 2.738 567 D HA 0.685 5.325 4.640 -0.000 0.000 0.237 567 D C 0.256 176.533 176.300 -0.039 0.000 1.123 567 D CA 0.003 53.973 54.000 -0.050 0.000 0.856 567 D CB 1.612 42.388 40.800 -0.041 0.000 1.552 567 D HN 0.678 nan 8.370 nan 0.000 0.480 568 c N 0.000 118.578 118.600 -0.037 0.000 2.653 568 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 568 c CA 0.000 56.315 56.329 -0.023 0.000 1.963 568 c CB 0.000 42.499 42.510 -0.018 0.000 2.134 568 c HN 0.000 nan 8.230 nan 0.000 0.568