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 2uzy_1_B DATA FIRST_RESID 42 DATA SEQUENCE QLPNFTAETP IQNVILHEHH IFLGATNYIY VLNEEDLQKV AEYKTGPVLE DATA SEQUENCE XXXXXXXXXX XXXXXXXXXV WKDNINMALV VDTYYDDQLI ScGSVNRGTc DATA SEQUENCE QRHVFPHNHX XXXXSEVHCI FSPQIEEPSQ CPDCVVSALG AKVLSSVKDR DATA SEQUENCE FINFFVGNTI NSSYXXXXPL HSISVRRLKE TKDGFMFLTD QSYIDVLPEF DATA SEQUENCE RDSYPIKYVH AFESNNFIYF LTVQRETLDA QTFHTRIIRF cSINSGLHSY DATA SEQUENCE MEMPLEcILT XXXXXXXXXX EVFNILQAAY VSKPGAQLAR QIGASLNDDI DATA SEQUENCE LFAVFAQSKP DSAEPMDRSA McAFPIKYVN DFFNKIXXXX XXRcLQHFYG DATA SEQUENCE PNHEHcXXXX XXXXXSGcEX XXDEYRTEFT TALQRVDLFM GQFSEVLLTS DATA SEQUENCE ISTFIKGDLT IANLGTSEGR FMQVVVSRSG PSTPHVNFLL DSHPVSPEVI DATA SEQUENCE VEHTLNQNGY TLVITGKKIT KIPLNGLGcR HFQScSQcLS APPFVQcGWc DATA SEQUENCE HDKcVRSEEc LSGTWTQQIc LPAIYKVFPN SAPLEGGTRL TICGWDFGFR DATA SEQUENCE RNNKFDLKKT RVLLGNEScT LTLSESTMNT LKcTVGXXXX XXFNMSIIIS DATA SEQUENCE NGHGTTQYST FSYVDPVITS ISPKYGPMAG GTLLTLTGNX XXXXXXXHIS DATA SEQUENCE IGGKTcTLKS VSNSILEcYT PAQTISTEFA VKLKIDLANR ETSIFSYRED 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 42 Q HA 0.000 nan 4.340 nan 0.000 0.214 42 Q C 0.000 175.923 176.000 -0.128 0.000 1.003 42 Q CA 0.000 55.733 55.803 -0.117 0.000 1.022 42 Q CB 0.000 28.648 28.738 -0.150 0.000 1.108 43 L N -1.877 119.263 121.223 -0.140 0.000 2.303 43 L HA 0.935 5.277 4.340 0.002 0.000 0.266 43 L C -2.284 174.521 176.870 -0.109 0.000 1.011 43 L CA -2.578 52.179 54.840 -0.138 0.000 0.818 43 L CB 0.720 42.673 42.059 -0.176 0.000 1.326 43 L HN -0.305 nan 8.230 nan 0.000 0.435 44 P HA 0.083 nan 4.420 nan 0.000 0.258 44 P C -1.436 175.824 177.300 -0.066 0.000 1.187 44 P CA 0.339 63.383 63.100 -0.093 0.000 0.767 44 P CB -0.088 31.536 31.700 -0.127 0.000 0.770 45 N N 2.343 121.023 118.700 -0.033 0.000 2.312 45 N HA 0.700 5.442 4.740 0.002 0.000 0.296 45 N C -1.464 174.095 175.510 0.083 0.000 1.193 45 N CA -0.824 52.225 53.050 -0.002 0.000 0.773 45 N CB 2.131 40.597 38.487 -0.034 0.000 1.435 45 N HN 0.196 nan 8.380 nan 0.000 0.484 46 F N 0.185 120.076 119.950 -0.099 0.000 2.604 46 F HA 0.420 4.948 4.527 0.002 0.000 0.316 46 F C -1.691 174.028 175.800 -0.134 0.000 1.136 46 F CA -0.049 57.880 58.000 -0.118 0.000 0.989 46 F CB 2.268 41.194 39.000 -0.123 0.000 1.258 46 F HN 0.494 nan 8.300 nan 0.000 0.451 47 T N 4.739 118.682 114.554 -1.017 0.000 2.876 47 T HA 0.841 5.192 4.350 0.002 0.000 0.289 47 T C -0.299 173.727 174.700 -1.123 0.000 1.014 47 T CA -0.254 61.378 62.100 -0.779 0.000 0.986 47 T CB 1.683 70.296 68.868 -0.424 0.000 1.021 47 T HN 0.822 nan 8.240 nan 0.000 0.458 48 A N 1.397 123.781 122.820 -0.726 0.000 2.717 48 A HA 0.607 4.929 4.320 0.002 0.000 0.262 48 A C 1.048 178.415 177.584 -0.361 0.000 1.483 48 A CA -0.379 51.237 52.037 -0.702 0.000 0.889 48 A CB 0.325 18.963 19.000 -0.603 0.000 1.604 48 A HN 0.876 nan 8.150 nan 0.000 0.523 49 E N -0.927 119.159 120.200 -0.190 0.000 2.250 49 E HA 0.084 4.436 4.350 0.002 0.000 0.192 49 E C -0.051 176.567 176.600 0.030 0.000 0.986 49 E CA 1.174 57.532 56.400 -0.070 0.000 0.849 49 E CB 0.129 29.791 29.700 -0.064 0.000 0.797 49 E HN 0.757 nan 8.360 nan 0.000 0.482 50 T N -1.354 113.259 114.554 0.098 0.000 2.841 50 T HA 0.377 4.729 4.350 0.002 0.000 0.296 50 T C -2.981 171.772 174.700 0.088 0.000 1.166 50 T CA -2.337 59.833 62.100 0.116 0.000 1.007 50 T CB 1.605 70.594 68.868 0.203 0.000 1.253 50 T HN -0.322 nan 8.240 nan 0.000 0.511 51 P HA 0.217 nan 4.420 nan 0.000 0.266 51 P C -0.453 176.904 177.300 0.095 0.000 1.195 51 P CA -0.383 62.730 63.100 0.023 0.000 0.768 51 P CB 0.200 31.912 31.700 0.020 0.000 0.838 52 I N 3.730 124.351 120.570 0.085 0.000 2.352 52 I HA 0.111 4.282 4.170 0.002 0.000 0.290 52 I C 1.345 177.537 176.117 0.125 0.000 1.036 52 I CA 0.088 61.473 61.300 0.142 0.000 1.336 52 I CB 0.979 39.066 38.000 0.145 0.000 1.407 52 I HN 0.412 nan 8.210 nan 0.000 0.497 53 Q N 3.986 123.869 119.800 0.138 0.000 2.165 53 Q HA 0.167 4.508 4.340 0.002 0.000 0.197 53 Q C 0.046 176.122 176.000 0.127 0.000 0.952 53 Q CA 1.131 57.008 55.803 0.123 0.000 0.848 53 Q CB 0.387 29.194 28.738 0.114 0.000 0.931 53 Q HN 0.588 nan 8.270 nan 0.000 0.470 54 N N -0.780 118.004 118.700 0.140 0.000 2.284 54 N HA 0.478 5.219 4.740 0.002 0.000 0.289 54 N C -1.632 173.974 175.510 0.161 0.000 1.179 54 N CA -0.349 52.785 53.050 0.141 0.000 0.774 54 N CB 2.869 41.433 38.487 0.129 0.000 1.548 54 N HN -0.194 nan 8.380 nan 0.000 0.473 55 V N 2.133 122.142 119.914 0.159 0.000 2.709 55 V HA 0.632 4.753 4.120 0.002 0.000 0.308 55 V C -0.158 176.049 176.094 0.188 0.000 1.062 55 V CA -0.720 61.687 62.300 0.178 0.000 0.901 55 V CB 2.041 33.955 31.823 0.151 0.000 1.003 55 V HN 0.620 nan 8.190 nan 0.000 0.425 56 I N 2.144 122.863 120.570 0.248 0.000 3.191 56 I HA 0.808 4.980 4.170 0.002 0.000 0.313 56 I C -1.796 174.541 176.117 0.367 0.000 1.193 56 I CA -1.310 60.149 61.300 0.265 0.000 0.968 56 I CB 2.527 40.666 38.000 0.232 0.000 1.262 56 I HN 0.490 nan 8.210 nan 0.000 0.456 57 L N 2.955 124.374 121.223 0.328 0.000 2.457 57 L HA 0.507 4.848 4.340 0.002 0.000 0.266 57 L C -1.567 175.508 176.870 0.342 0.000 0.979 57 L CA -0.078 54.949 54.840 0.312 0.000 0.857 57 L CB 1.133 43.289 42.059 0.163 0.000 1.213 57 L HN 0.771 nan 8.230 nan 0.000 0.418 58 H N 4.870 124.193 119.070 0.422 0.000 2.638 58 H HA 0.539 5.096 4.556 0.002 0.000 0.303 58 H C -0.717 174.711 175.328 0.166 0.000 1.034 58 H CA -0.087 56.129 56.048 0.281 0.000 1.225 58 H CB 0.699 30.647 29.762 0.311 0.000 1.394 58 H HN 0.597 nan 8.280 nan 0.000 0.477 59 E N 5.974 125.904 120.200 -0.450 0.000 2.708 59 E HA -0.276 4.075 4.350 0.002 0.000 0.150 59 E C -0.251 176.159 176.600 -0.317 0.000 1.853 59 E CA 1.227 57.270 56.400 -0.594 0.000 0.643 59 E CB -1.632 27.697 29.700 -0.618 0.000 1.078 59 E HN 1.056 nan 8.360 nan 0.000 0.345 60 H N -1.291 117.723 119.070 -0.094 0.000 2.899 60 H HA -0.206 4.351 4.556 0.002 0.000 0.282 60 H C -0.044 174.969 175.328 -0.525 0.000 1.198 60 H CA 1.559 57.463 56.048 -0.240 0.000 1.140 60 H CB -1.708 27.893 29.762 -0.268 0.000 1.317 60 H HN 0.609 nan 8.280 nan 0.000 0.375 61 H N -0.228 118.805 119.070 -0.061 0.000 3.017 61 H HA 0.265 4.823 4.556 0.003 0.000 0.340 61 H C 0.398 175.486 175.328 -0.400 0.000 1.014 61 H CA -0.746 55.165 56.048 -0.228 0.000 1.341 61 H CB 1.403 31.014 29.762 -0.251 0.000 1.739 61 H HN -0.028 nan 8.280 nan 0.000 0.506 62 I N 3.043 123.433 120.570 -0.300 0.000 2.581 62 I HA 0.190 4.362 4.170 0.002 0.000 0.288 62 I C 0.095 175.922 176.117 -0.483 0.000 1.047 62 I CA -0.195 60.963 61.300 -0.237 0.000 1.374 62 I CB -0.062 37.857 38.000 -0.135 0.000 1.423 62 I HN 0.337 nan 8.210 nan 0.000 0.549 63 F N 5.007 125.031 119.950 0.125 0.000 2.507 63 F HA 0.464 4.992 4.527 0.002 0.000 0.328 63 F C -0.214 175.667 175.800 0.136 0.000 1.136 63 F CA -0.544 57.535 58.000 0.131 0.000 0.930 63 F CB 1.294 40.375 39.000 0.135 0.000 1.166 63 F HN 0.090 nan 8.300 nan 0.000 0.436 64 L N 3.721 125.137 121.223 0.320 0.000 2.313 64 L HA 0.465 4.806 4.340 0.002 0.000 0.273 64 L C 0.621 177.687 176.870 0.326 0.000 1.028 64 L CA -0.726 54.303 54.840 0.315 0.000 0.871 64 L CB 1.169 43.440 42.059 0.354 0.000 1.242 64 L HN 0.838 nan 8.230 nan 0.000 0.434 65 G N 2.427 111.371 108.800 0.240 0.000 2.605 65 G HA2 0.455 4.417 3.960 0.002 0.000 0.301 65 G HA3 0.455 4.417 3.960 0.002 0.000 0.301 65 G C 0.301 175.318 174.900 0.196 0.000 0.881 65 G CA 0.115 45.326 45.100 0.185 0.000 1.553 65 G HN 0.680 nan 8.290 nan 0.000 0.483 66 A N 2.608 125.571 122.820 0.238 0.000 2.420 66 A HA 0.856 5.177 4.320 0.002 0.000 0.291 66 A C 0.745 178.436 177.584 0.179 0.000 1.228 66 A CA -0.527 51.664 52.037 0.256 0.000 0.933 66 A CB 0.514 19.777 19.000 0.439 0.000 1.428 66 A HN 0.478 nan 8.150 nan 0.000 0.493 67 T N 2.158 116.819 114.554 0.178 0.000 2.853 67 T HA 0.247 4.598 4.350 0.002 0.000 0.298 67 T C 0.256 174.988 174.700 0.053 0.000 0.978 67 T CA 0.620 62.781 62.100 0.102 0.000 1.152 67 T CB -0.123 68.805 68.868 0.101 0.000 0.914 67 T HN 0.651 nan 8.240 nan 0.000 0.539 68 N N 0.487 119.112 118.700 -0.124 0.000 2.815 68 N HA -0.190 4.551 4.740 0.002 0.000 0.247 68 N C -0.740 174.303 175.510 -0.777 0.000 1.030 68 N CA 1.478 54.267 53.050 -0.435 0.000 0.881 68 N CB -1.548 36.620 38.487 -0.532 0.000 1.134 68 N HN 0.780 nan 8.380 nan 0.000 0.582 69 Y N -0.729 119.488 120.300 -0.138 0.000 2.597 69 Y HA 0.657 5.208 4.550 0.002 0.000 0.340 69 Y C -0.102 175.630 175.900 -0.280 0.000 1.097 69 Y CA -1.035 56.868 58.100 -0.327 0.000 1.037 69 Y CB 1.677 39.771 38.460 -0.610 0.000 1.305 69 Y HN -0.151 nan 8.280 nan 0.000 0.463 70 I N 2.776 123.258 120.570 -0.146 0.000 2.583 70 I HA 0.255 4.426 4.170 0.002 0.000 0.276 70 I C -1.482 174.621 176.117 -0.022 0.000 1.089 70 I CA -0.627 60.666 61.300 -0.013 0.000 1.103 70 I CB 0.487 38.532 38.000 0.075 0.000 1.209 70 I HN 0.450 nan 8.210 nan 0.000 0.484 71 Y N 4.059 124.488 120.300 0.216 0.000 2.301 71 Y HA 0.425 4.976 4.550 0.003 0.000 0.328 71 Y C 0.544 176.495 175.900 0.085 0.000 1.242 71 Y CA -0.751 57.436 58.100 0.145 0.000 1.323 71 Y CB 0.986 39.525 38.460 0.130 0.000 1.266 71 Y HN 0.151 nan 8.280 nan 0.000 0.527 72 V N 5.075 125.085 119.914 0.160 0.000 2.325 72 V HA 0.278 4.400 4.120 0.002 0.000 0.280 72 V C -0.055 175.961 176.094 -0.130 0.000 1.016 72 V CA -0.732 61.543 62.300 -0.043 0.000 0.818 72 V CB 0.095 31.944 31.823 0.043 0.000 1.019 72 V HN 0.627 nan 8.190 nan 0.000 0.434 73 L N 2.737 123.806 121.223 -0.257 0.000 2.472 73 L HA 0.606 4.947 4.340 0.002 0.000 0.256 73 L C 0.267 177.029 176.870 -0.180 0.000 1.111 73 L CA -0.673 53.987 54.840 -0.299 0.000 0.800 73 L CB 0.777 42.555 42.059 -0.469 0.000 1.286 73 L HN 0.442 nan 8.230 nan 0.000 0.479 74 N N 0.086 118.671 118.700 -0.192 0.000 2.372 74 N HA 0.085 4.826 4.740 0.002 0.000 0.291 74 N C 0.380 175.754 175.510 -0.227 0.000 1.024 74 N CA -0.183 52.747 53.050 -0.200 0.000 0.873 74 N CB 1.961 40.362 38.487 -0.144 0.000 1.206 74 N HN 0.581 nan 8.380 nan 0.000 0.486 75 E N 1.862 121.913 120.200 -0.249 0.000 2.209 75 E HA -0.237 4.115 4.350 0.002 0.000 0.196 75 E C 0.892 177.361 176.600 -0.219 0.000 0.993 75 E CA 1.264 57.555 56.400 -0.182 0.000 0.819 75 E CB 0.342 29.992 29.700 -0.083 0.000 0.745 75 E HN 0.703 nan 8.360 nan 0.000 0.477 76 E N 0.377 120.459 120.200 -0.197 0.000 2.046 76 E HA -0.162 4.189 4.350 0.002 0.000 0.190 76 E C 0.788 177.275 176.600 -0.189 0.000 0.982 76 E CA 1.646 57.936 56.400 -0.183 0.000 0.800 76 E CB 0.228 29.840 29.700 -0.147 0.000 0.756 76 E HN 0.307 nan 8.360 nan 0.000 0.449 77 D N -0.875 119.426 120.400 -0.166 0.000 2.563 77 D HA 0.049 4.690 4.640 0.002 0.000 0.237 77 D C 0.382 176.604 176.300 -0.130 0.000 1.282 77 D CA -0.310 53.607 54.000 -0.139 0.000 0.816 77 D CB -0.222 40.518 40.800 -0.101 0.000 1.066 77 D HN 0.271 nan 8.370 nan 0.000 0.501 78 L N -0.291 120.833 121.223 -0.166 0.000 3.717 78 L HA -0.262 4.080 4.340 0.002 0.000 0.414 78 L C -0.308 176.467 176.870 -0.158 0.000 1.228 78 L CA 0.358 55.096 54.840 -0.170 0.000 0.918 78 L CB -1.167 40.833 42.059 -0.099 0.000 1.865 78 L HN 0.213 nan 8.230 nan 0.000 0.922 79 Q N 1.323 121.036 119.800 -0.145 0.000 2.294 79 Q HA 0.243 4.585 4.340 0.002 0.000 0.257 79 Q C 0.261 176.174 176.000 -0.144 0.000 0.955 79 Q CA -0.035 55.711 55.803 -0.094 0.000 0.936 79 Q CB 1.115 29.816 28.738 -0.061 0.000 1.188 79 Q HN 0.143 nan 8.270 nan 0.000 0.420 80 K N 3.460 123.787 120.400 -0.121 0.000 2.436 80 K HA 0.067 4.388 4.320 0.002 0.000 0.282 80 K C -0.358 176.233 176.600 -0.014 0.000 1.044 80 K CA -0.015 56.203 56.287 -0.115 0.000 1.028 80 K CB 0.344 32.898 32.500 0.090 0.000 0.919 80 K HN 0.620 nan 8.250 nan 0.000 0.474 81 V N 3.288 123.197 119.914 -0.009 0.000 2.735 81 V HA 0.230 4.351 4.120 0.002 0.000 0.234 81 V C 0.649 176.771 176.094 0.047 0.000 1.121 81 V CA 0.871 63.188 62.300 0.027 0.000 1.160 81 V CB -0.024 31.830 31.823 0.052 0.000 0.908 81 V HN 0.878 nan 8.190 nan 0.000 0.495 82 A N 0.390 123.247 122.820 0.063 0.000 2.437 82 A HA 0.892 5.213 4.320 0.002 0.000 0.288 82 A C -0.815 176.855 177.584 0.142 0.000 1.201 82 A CA -0.243 51.849 52.037 0.092 0.000 0.795 82 A CB 1.783 20.835 19.000 0.086 0.000 1.359 82 A HN 0.586 nan 8.150 nan 0.000 0.435 83 E N -1.794 118.503 120.200 0.161 0.000 2.417 83 E HA 0.482 4.834 4.350 0.002 0.000 0.280 83 E C -2.100 174.632 176.600 0.220 0.000 1.112 83 E CA -0.701 55.803 56.400 0.172 0.000 0.863 83 E CB 1.082 30.881 29.700 0.165 0.000 1.346 83 E HN 0.917 nan 8.360 nan 0.000 0.443 84 Y N 1.222 121.544 120.300 0.038 0.000 2.386 84 Y HA 0.410 4.962 4.550 0.003 0.000 0.334 84 Y C -1.408 174.523 175.900 0.050 0.000 1.002 84 Y CA -0.937 57.200 58.100 0.062 0.000 1.068 84 Y CB 2.053 40.575 38.460 0.103 0.000 1.203 84 Y HN 0.634 nan 8.280 nan 0.000 0.443 85 K N 4.511 124.579 120.400 -0.554 0.000 2.250 85 K HA 0.182 4.503 4.320 0.002 0.000 0.280 85 K C 0.625 176.670 176.600 -0.927 0.000 1.098 85 K CA 0.411 56.356 56.287 -0.570 0.000 0.916 85 K CB 0.709 33.058 32.500 -0.251 0.000 1.209 85 K HN 0.927 nan 8.250 nan 0.000 0.461 86 T N 1.008 115.109 114.554 -0.755 0.000 2.904 86 T HA 0.083 4.435 4.350 0.002 0.000 0.267 86 T C 1.063 175.493 174.700 -0.450 0.000 1.059 86 T CA 0.461 62.271 62.100 -0.482 0.000 1.137 86 T CB -0.488 68.258 68.868 -0.204 0.000 0.879 86 T HN 0.788 nan 8.240 nan 0.000 0.467 87 G N 2.188 110.630 108.800 -0.597 0.000 2.915 87 G HA2 -0.091 3.870 3.960 0.002 0.000 0.337 87 G HA3 -0.091 3.870 3.960 0.002 0.000 0.337 87 G C -2.964 171.678 174.900 -0.430 0.000 1.477 87 G CA -0.669 44.104 45.100 -0.545 0.000 0.916 87 G HN 0.474 nan 8.290 nan 0.000 0.550 88 P HA 0.393 nan 4.420 nan 0.000 0.273 88 P C 0.270 177.173 177.300 -0.661 0.000 1.319 88 P CA -0.363 62.445 63.100 -0.487 0.000 0.885 88 P CB 0.956 32.337 31.700 -0.531 0.000 1.015 89 V N 4.671 124.317 119.914 -0.448 0.000 3.036 89 V HA 0.225 4.346 4.120 0.002 0.000 0.308 89 V C 0.544 176.429 176.094 -0.348 0.000 1.070 89 V CA -0.541 61.537 62.300 -0.370 0.000 1.056 89 V CB 1.477 33.173 31.823 -0.211 0.000 1.084 89 V HN 0.308 nan 8.190 nan 0.000 0.471 90 L N 3.237 124.342 121.223 -0.197 0.000 2.283 90 L HA 0.445 4.787 4.340 0.002 0.000 0.281 90 L C 0.443 177.333 176.870 0.035 0.000 1.033 90 L CA 0.153 54.993 54.840 0.000 0.000 0.848 90 L CB 0.438 42.581 42.059 0.139 0.000 1.226 90 L HN 0.636 nan 8.230 nan 0.000 0.429 112 W N 3.321 124.616 121.300 -0.009 0.000 2.433 112 W HA 0.845 5.506 4.660 0.003 0.000 0.315 112 W C -0.118 176.394 176.519 -0.011 0.000 1.087 112 W CA -0.605 56.733 57.345 -0.012 0.000 1.205 112 W CB 1.670 31.123 29.460 -0.012 0.000 1.288 112 W HN 0.491 nan 8.180 nan 0.000 0.504 113 K N 2.049 122.491 120.400 0.069 0.000 2.464 113 K HA 0.288 4.609 4.320 0.002 0.000 0.253 113 K C -0.993 175.565 176.600 -0.069 0.000 0.933 113 K CA -0.647 55.650 56.287 0.017 0.000 0.801 113 K CB 1.318 33.823 32.500 0.007 0.000 1.271 113 K HN 0.162 nan 8.250 nan 0.000 0.430 114 D N 1.079 121.460 120.400 -0.031 0.000 2.382 114 D HA 0.031 4.672 4.640 0.002 0.000 0.245 114 D C -0.087 176.174 176.300 -0.065 0.000 1.120 114 D CA 0.151 54.115 54.000 -0.059 0.000 0.890 114 D CB 0.670 41.461 40.800 -0.015 0.000 1.201 114 D HN 0.282 nan 8.370 nan 0.000 0.433 115 N N 2.439 121.079 118.700 -0.100 0.000 3.298 115 N HA 0.105 4.847 4.740 0.002 0.000 0.292 115 N C -0.598 174.888 175.510 -0.040 0.000 1.271 115 N CA -0.344 52.655 53.050 -0.084 0.000 1.184 115 N CB -0.477 37.931 38.487 -0.132 0.000 1.452 115 N HN 0.352 nan 8.380 nan 0.000 0.534 116 I N 1.310 121.876 120.570 -0.006 0.000 2.664 116 I HA -0.077 4.095 4.170 0.002 0.000 0.284 116 I C 1.283 177.423 176.117 0.038 0.000 1.154 116 I CA -0.016 61.301 61.300 0.028 0.000 1.402 116 I CB 0.008 38.032 38.000 0.041 0.000 1.395 116 I HN 0.356 nan 8.210 nan 0.000 0.545 117 N N 7.123 125.855 118.700 0.054 0.000 2.441 117 N HA 0.005 4.747 4.740 0.002 0.000 0.251 117 N C 0.287 175.842 175.510 0.075 0.000 1.242 117 N CA 0.212 53.301 53.050 0.066 0.000 0.898 117 N CB 0.875 39.413 38.487 0.086 0.000 1.100 117 N HN 0.566 nan 8.380 nan 0.000 0.443 118 M N 1.249 120.893 119.600 0.075 0.000 2.260 118 M HA 0.312 4.794 4.480 0.002 0.000 0.326 118 M C -0.388 175.965 176.300 0.088 0.000 0.930 118 M CA -0.084 55.264 55.300 0.079 0.000 1.051 118 M CB -0.163 32.477 32.600 0.067 0.000 1.748 118 M HN 0.559 nan 8.290 nan 0.000 0.606 119 A N 1.140 124.015 122.820 0.090 0.000 2.583 119 A HA 0.659 4.981 4.320 0.002 0.000 0.298 119 A C -1.925 175.713 177.584 0.090 0.000 1.055 119 A CA -0.589 51.504 52.037 0.092 0.000 0.714 119 A CB 1.382 20.441 19.000 0.099 0.000 1.277 119 A HN 0.078 nan 8.150 nan 0.000 0.406 120 L N 1.820 123.091 121.223 0.079 0.000 2.381 120 L HA 0.764 5.105 4.340 0.002 0.000 0.274 120 L C -0.785 176.110 176.870 0.043 0.000 0.988 120 L CA -0.644 54.231 54.840 0.058 0.000 0.824 120 L CB 1.249 43.350 42.059 0.071 0.000 1.263 120 L HN 0.576 nan 8.230 nan 0.000 0.410 121 V N 4.195 124.131 119.914 0.037 0.000 2.668 121 V HA 0.586 4.707 4.120 0.002 0.000 0.304 121 V C -0.410 175.702 176.094 0.030 0.000 1.071 121 V CA -0.660 61.659 62.300 0.033 0.000 0.894 121 V CB 2.879 34.716 31.823 0.023 0.000 1.008 121 V HN 0.418 nan 8.190 nan 0.000 0.425 122 V N 3.314 123.238 119.914 0.017 0.000 2.628 122 V HA 0.685 4.806 4.120 0.002 0.000 0.306 122 V C -0.923 175.211 176.094 0.067 0.000 1.045 122 V CA -0.437 61.866 62.300 0.004 0.000 0.905 122 V CB 2.111 33.898 31.823 -0.061 0.000 0.997 122 V HN 0.894 nan 8.190 nan 0.000 0.436 123 D N 1.813 122.272 120.400 0.097 0.000 2.890 123 D HA 0.262 4.904 4.640 0.002 0.000 0.233 123 D C 0.596 177.001 176.300 0.175 0.000 1.306 123 D CA -0.175 53.920 54.000 0.158 0.000 0.929 123 D CB 2.395 43.330 40.800 0.226 0.000 1.512 123 D HN 0.666 nan 8.370 nan 0.000 0.568 124 T N 0.643 115.295 114.554 0.164 0.000 3.144 124 T HA -0.023 4.329 4.350 0.002 0.000 0.249 124 T C 1.630 176.430 174.700 0.167 0.000 1.089 124 T CA -0.032 62.157 62.100 0.149 0.000 0.989 124 T CB -0.342 68.608 68.868 0.135 0.000 0.992 124 T HN 0.388 nan 8.240 nan 0.000 0.540 125 Y N 1.746 122.099 120.300 0.089 0.000 2.044 125 Y HA -0.160 4.392 4.550 0.003 0.000 0.264 125 Y C 1.888 177.771 175.900 -0.028 0.000 1.111 125 Y CA 1.276 59.382 58.100 0.009 0.000 1.088 125 Y CB -0.742 37.708 38.460 -0.017 0.000 0.981 125 Y HN 0.193 nan 8.280 nan 0.000 0.478 126 Y N 0.712 121.062 120.300 0.083 0.000 2.122 126 Y HA -0.170 4.380 4.550 0.001 0.000 0.249 126 Y C 1.115 176.981 175.900 -0.058 0.000 1.070 126 Y CA 1.305 59.379 58.100 -0.044 0.000 1.059 126 Y CB -0.642 37.835 38.460 0.029 0.000 0.988 126 Y HN 0.283 nan 8.280 nan 0.000 0.480 127 D N -1.115 119.412 120.400 0.210 0.000 2.477 127 D HA 0.152 4.794 4.640 0.002 0.000 0.234 127 D C -1.598 174.787 176.300 0.142 0.000 1.048 127 D CA -0.796 53.272 54.000 0.114 0.000 0.959 127 D CB 1.010 41.860 40.800 0.083 0.000 1.408 127 D HN -0.017 nan 8.370 nan 0.000 0.496 128 D N 0.317 120.805 120.400 0.147 0.000 2.401 128 D HA 0.256 4.898 4.640 0.002 0.000 0.254 128 D C -0.174 176.366 176.300 0.400 0.000 1.192 128 D CA 0.623 54.768 54.000 0.243 0.000 0.885 128 D CB 0.306 41.215 40.800 0.182 0.000 1.147 128 D HN 0.401 nan 8.370 nan 0.000 0.478 129 Q N 0.871 120.830 119.800 0.264 0.000 2.438 129 Q HA 0.447 4.788 4.340 0.002 0.000 0.272 129 Q C -1.687 174.177 176.000 -0.226 0.000 0.994 129 Q CA -1.119 54.580 55.803 -0.174 0.000 0.887 129 Q CB 1.155 29.826 28.738 -0.111 0.000 1.432 129 Q HN 0.320 nan 8.270 nan 0.000 0.392 130 L N 2.320 123.194 121.223 -0.581 0.000 2.399 130 L HA 0.692 5.034 4.340 0.002 0.000 0.265 130 L C -1.394 175.388 176.870 -0.147 0.000 1.089 130 L CA -0.405 54.217 54.840 -0.363 0.000 0.802 130 L CB 1.306 43.007 42.059 -0.597 0.000 1.180 130 L HN 0.792 nan 8.230 nan 0.000 0.454 131 I N 3.443 123.987 120.570 -0.044 0.000 2.497 131 I HA 0.315 4.486 4.170 0.002 0.000 0.284 131 I C -0.372 175.799 176.117 0.090 0.000 1.060 131 I CA -0.365 60.983 61.300 0.081 0.000 1.071 131 I CB 1.735 39.830 38.000 0.158 0.000 1.216 131 I HN 0.747 nan 8.210 nan 0.000 0.442 132 S N 4.277 120.039 115.700 0.103 0.000 2.672 132 S HA 0.646 5.117 4.470 0.002 0.000 0.276 132 S C -0.489 174.180 174.600 0.116 0.000 1.207 132 S CA -0.516 57.734 58.200 0.084 0.000 1.002 132 S CB 1.689 64.932 63.200 0.070 0.000 0.998 132 S HN 0.631 nan 8.310 nan 0.000 0.542 133 c N 2.184 120.844 118.600 0.100 0.000 2.478 133 c HA 0.727 5.299 4.570 0.002 0.000 0.334 133 c C 1.295 175.422 174.090 0.062 0.000 1.106 133 c CA -0.684 55.697 56.329 0.088 0.000 1.363 133 c CB 0.121 42.694 42.510 0.105 0.000 1.941 133 c HN 1.166 nan 8.230 nan 0.000 0.436 134 G N 2.328 111.152 108.800 0.040 0.000 2.608 134 G HA2 0.403 4.364 3.960 0.002 0.000 0.212 134 G HA3 0.403 4.364 3.960 0.002 0.000 0.212 134 G C 0.806 175.712 174.900 0.010 0.000 1.572 134 G CA 0.764 45.875 45.100 0.018 0.000 1.064 134 G HN 1.141 nan 8.290 nan 0.000 0.556 135 S N -3.150 112.545 115.700 -0.009 0.000 2.702 135 S HA 0.103 4.574 4.470 0.002 0.000 0.257 135 S C 1.282 175.870 174.600 -0.019 0.000 0.981 135 S CA 0.559 58.756 58.200 -0.005 0.000 1.414 135 S CB 0.316 63.522 63.200 0.009 0.000 1.239 135 S HN 0.261 nan 8.310 nan 0.000 0.676 136 V N 2.114 122.006 119.914 -0.038 0.000 2.436 136 V HA 0.222 4.343 4.120 0.002 0.000 0.240 136 V C 0.441 176.503 176.094 -0.054 0.000 1.040 136 V CA 1.027 63.300 62.300 -0.045 0.000 1.052 136 V CB -0.680 31.103 31.823 -0.067 0.000 0.707 136 V HN 0.392 nan 8.190 nan 0.000 0.469 137 N N 1.364 120.018 118.700 -0.078 0.000 2.968 137 N HA 0.265 5.006 4.740 0.002 0.000 0.271 137 N C 0.423 175.854 175.510 -0.132 0.000 1.174 137 N CA -0.095 52.886 53.050 -0.114 0.000 1.096 137 N CB -0.319 38.073 38.487 -0.159 0.000 1.403 137 N HN 0.193 nan 8.380 nan 0.000 0.522 138 R N 1.269 121.718 120.500 -0.085 0.000 3.502 138 R HA -0.211 4.130 4.340 0.002 0.000 0.266 138 R C 0.532 176.794 176.300 -0.064 0.000 1.077 138 R CA 0.742 56.800 56.100 -0.069 0.000 0.718 138 R CB -2.188 28.062 30.300 -0.083 0.000 1.120 138 R HN 0.708 nan 8.270 nan 0.000 0.457 139 G N -0.106 108.664 108.800 -0.050 0.000 2.366 139 G HA2 -0.333 3.628 3.960 0.002 0.000 0.299 139 G HA3 -0.333 3.628 3.960 0.002 0.000 0.299 139 G C 0.096 174.976 174.900 -0.032 0.000 1.020 139 G CA 0.740 45.824 45.100 -0.027 0.000 1.026 139 G HN 0.703 nan 8.290 nan 0.000 0.512 140 T N -0.810 113.701 114.554 -0.072 0.000 2.909 140 T HA 0.505 4.857 4.350 0.002 0.000 0.289 140 T C 0.965 175.660 174.700 -0.009 0.000 1.005 140 T CA -0.020 62.034 62.100 -0.077 0.000 1.084 140 T CB 0.518 69.247 68.868 -0.233 0.000 0.975 140 T HN 0.472 nan 8.240 nan 0.000 0.509 141 c N 4.235 122.865 118.600 0.050 0.000 2.398 141 c HA 0.653 5.224 4.570 0.002 0.000 0.364 141 c C 0.058 174.174 174.090 0.043 0.000 1.219 141 c CA -0.640 55.740 56.329 0.085 0.000 2.312 141 c CB 0.630 43.241 42.510 0.169 0.000 2.428 141 c HN 0.930 nan 8.230 nan 0.000 0.564 142 Q N 1.461 121.290 119.800 0.048 0.000 2.372 142 Q HA 0.642 4.983 4.340 0.002 0.000 0.273 142 Q C -1.165 174.823 176.000 -0.020 0.000 1.078 142 Q CA -0.804 54.992 55.803 -0.012 0.000 0.806 142 Q CB 1.665 30.382 28.738 -0.035 0.000 1.332 142 Q HN 0.608 nan 8.270 nan 0.000 0.435 143 R N 0.639 121.071 120.500 -0.113 0.000 2.649 143 R HA 0.379 4.721 4.340 0.002 0.000 0.270 143 R C -0.292 175.815 176.300 -0.322 0.000 1.105 143 R CA -0.435 55.590 56.100 -0.125 0.000 1.193 143 R CB 0.600 30.831 30.300 -0.115 0.000 1.120 143 R HN 0.600 nan 8.270 nan 0.000 0.561 144 H N 0.400 119.313 119.070 -0.262 0.000 2.596 144 H HA 0.106 4.664 4.556 0.003 0.000 0.240 144 H C -0.959 174.087 175.328 -0.469 0.000 1.406 144 H CA -0.303 55.515 56.048 -0.384 0.000 1.504 144 H CB 0.890 30.368 29.762 -0.474 0.000 1.688 144 H HN 0.196 nan 8.280 nan 0.000 0.546 145 V N 3.513 123.304 119.914 -0.204 0.000 2.434 145 V HA -0.080 4.042 4.120 0.002 0.000 0.281 145 V C 0.829 176.859 176.094 -0.107 0.000 1.005 145 V CA 0.645 62.869 62.300 -0.126 0.000 1.089 145 V CB -0.975 30.850 31.823 0.004 0.000 0.978 145 V HN 0.357 nan 8.190 nan 0.000 0.474 146 F N 7.044 127.016 119.950 0.037 0.000 2.589 146 F HA 0.109 4.636 4.527 0.001 0.000 0.352 146 F C -0.392 175.461 175.800 0.089 0.000 1.168 146 F CA -0.913 57.126 58.000 0.065 0.000 1.353 146 F CB -0.161 38.868 39.000 0.048 0.000 1.116 146 F HN 0.407 nan 8.300 nan 0.000 0.608 147 P HA -0.169 nan 4.420 nan 0.000 0.202 147 P C 0.597 178.071 177.300 0.289 0.000 1.149 147 P CA 2.071 65.367 63.100 0.325 0.000 0.931 147 P CB 0.155 32.183 31.700 0.547 0.000 0.762 148 H N -4.763 114.350 119.070 0.072 0.000 1.690 148 H HA 0.233 4.790 4.556 0.001 0.000 0.139 148 H C 0.970 176.217 175.328 -0.135 0.000 1.095 148 H CA 0.189 56.222 56.048 -0.024 0.000 1.028 148 H CB -0.365 29.376 29.762 -0.035 0.000 0.687 148 H HN -0.105 nan 8.280 nan 0.000 0.294 149 N N -0.575 117.976 118.700 -0.247 0.000 2.254 149 N HA 0.114 4.855 4.740 0.002 0.000 0.190 149 N C -0.709 174.601 175.510 -0.332 0.000 1.107 149 N CA 0.134 53.005 53.050 -0.298 0.000 0.869 149 N CB 0.820 39.163 38.487 -0.241 0.000 0.983 149 N HN 0.398 nan 8.380 nan 0.000 0.487 157 E N 0.421 120.574 120.200 -0.077 0.000 5.234 157 E HA -0.097 4.254 4.350 0.002 0.000 0.170 157 E C -1.770 174.670 176.600 -0.266 0.000 1.556 157 E CA 0.765 57.080 56.400 -0.141 0.000 1.185 157 E CB -1.390 28.272 29.700 -0.063 0.000 1.023 157 E HN 0.597 nan 8.360 nan 0.000 0.337 158 V N 5.802 125.489 119.914 -0.378 0.000 2.668 158 V HA 0.371 4.492 4.120 0.002 0.000 0.304 158 V C 0.530 176.342 176.094 -0.469 0.000 1.071 158 V CA -0.831 61.135 62.300 -0.556 0.000 0.894 158 V CB 2.038 33.374 31.823 -0.811 0.000 1.008 158 V HN 0.559 nan 8.190 nan 0.000 0.425 159 H N 1.365 120.233 119.070 -0.336 0.000 3.188 159 H HA 0.671 5.227 4.556 -0.001 0.000 0.204 159 H C -0.473 174.731 175.328 -0.206 0.000 1.565 159 H CA -0.219 55.696 56.048 -0.222 0.000 1.695 159 H CB 1.789 31.437 29.762 -0.190 0.000 1.392 159 H HN 0.681 nan 8.280 nan 0.000 0.965 160 C N 1.081 120.406 119.300 0.041 0.000 2.989 160 C HA 0.279 4.740 4.460 0.002 0.000 0.397 160 C C -1.084 173.896 174.990 -0.016 0.000 1.022 160 C CA -0.671 58.342 59.018 -0.009 0.000 1.232 160 C CB -0.938 26.810 27.740 0.013 0.000 1.638 160 C HN 0.512 nan 8.230 nan 0.000 0.534 161 I N 6.504 127.050 120.570 -0.040 0.000 2.347 161 I HA 0.499 4.671 4.170 0.002 0.000 0.294 161 I C -0.290 175.897 176.117 0.117 0.000 1.090 161 I CA 0.729 61.983 61.300 -0.076 0.000 1.314 161 I CB -0.000 37.904 38.000 -0.161 0.000 1.423 161 I HN 0.506 nan 8.210 nan 0.000 0.503 162 F N 5.061 124.938 119.950 -0.122 0.000 3.130 162 F HA 0.275 4.803 4.527 0.002 0.000 0.349 162 F C -0.065 175.691 175.800 -0.074 0.000 1.158 162 F CA -0.598 57.359 58.000 -0.072 0.000 1.274 162 F CB 0.453 39.430 39.000 -0.038 0.000 1.594 162 F HN 0.402 nan 8.300 nan 0.000 0.720 163 S N 4.297 119.816 115.700 -0.303 0.000 2.307 163 S HA 0.810 5.281 4.470 0.002 0.000 0.252 163 S C -2.628 171.597 174.600 -0.625 0.000 1.204 163 S CA -0.816 57.168 58.200 -0.361 0.000 1.018 163 S CB 0.814 63.889 63.200 -0.209 0.000 1.077 163 S HN 0.484 nan 8.310 nan 0.000 0.454 164 P HA 0.545 nan 4.420 nan 0.000 0.318 164 P C -1.894 175.301 177.300 -0.175 0.000 1.364 164 P CA -0.635 62.264 63.100 -0.335 0.000 1.222 164 P CB 1.151 32.714 31.700 -0.227 0.000 1.869 165 Q N 0.827 120.562 119.800 -0.109 0.000 2.901 165 Q HA 0.299 4.640 4.340 0.002 0.000 0.265 165 Q C 0.507 176.489 176.000 -0.031 0.000 1.263 165 Q CA -0.144 55.636 55.803 -0.040 0.000 1.088 165 Q CB -0.557 28.184 28.738 0.006 0.000 1.339 165 Q HN 0.396 nan 8.270 nan 0.000 0.546 166 I N 0.275 120.821 120.570 -0.041 0.000 2.617 166 I HA -0.108 4.063 4.170 0.002 0.000 0.256 166 I C 1.218 177.327 176.117 -0.013 0.000 1.167 166 I CA 1.199 62.483 61.300 -0.028 0.000 1.469 166 I CB 0.317 38.297 38.000 -0.034 0.000 1.098 166 I HN 0.335 nan 8.210 nan 0.000 0.436 167 E N 1.094 121.289 120.200 -0.009 0.000 2.049 167 E HA -0.186 4.165 4.350 0.002 0.000 0.198 167 E C 0.490 177.097 176.600 0.012 0.000 1.007 167 E CA 1.277 57.681 56.400 0.006 0.000 0.809 167 E CB -0.354 29.357 29.700 0.020 0.000 0.749 167 E HN 0.536 nan 8.360 nan 0.000 0.450 168 E N -2.231 117.977 120.200 0.014 0.000 3.287 168 E HA 0.146 4.498 4.350 0.002 0.000 0.355 168 E C -2.523 174.085 176.600 0.012 0.000 1.027 168 E CA -0.840 55.567 56.400 0.010 0.000 0.840 168 E CB 1.331 31.038 29.700 0.012 0.000 1.273 168 E HN -0.232 nan 8.360 nan 0.000 0.458 169 P HA -0.116 nan 4.420 nan 0.000 0.224 169 P C 0.695 178.003 177.300 0.013 0.000 1.142 169 P CA 0.997 64.106 63.100 0.014 0.000 0.778 169 P CB 0.326 32.033 31.700 0.013 0.000 0.764 170 S N -1.560 114.142 115.700 0.003 0.000 2.440 170 S HA -0.122 4.349 4.470 0.002 0.000 0.238 170 S C 0.942 175.517 174.600 -0.043 0.000 1.010 170 S CA 1.119 59.310 58.200 -0.015 0.000 0.972 170 S CB -0.350 62.840 63.200 -0.016 0.000 0.774 170 S HN 0.369 nan 8.310 nan 0.000 0.501 171 Q N -1.656 118.129 119.800 -0.025 0.000 2.528 171 Q HA 0.598 4.939 4.340 0.002 0.000 0.289 171 Q C -1.517 174.511 176.000 0.047 0.000 1.091 171 Q CA -0.651 55.128 55.803 -0.039 0.000 0.797 171 Q CB 2.426 31.119 28.738 -0.075 0.000 1.466 171 Q HN 0.177 nan 8.270 nan 0.000 0.436 172 C N 1.875 121.231 119.300 0.093 0.000 3.233 172 C HA 0.374 4.836 4.460 0.002 0.000 0.299 172 C C -2.012 173.143 174.990 0.274 0.000 1.060 172 C CA -1.320 57.800 59.018 0.171 0.000 1.382 172 C CB 0.410 28.227 27.740 0.130 0.000 1.828 172 C HN 0.674 nan 8.230 nan 0.000 0.530 173 P HA -0.024 nan 4.420 nan 0.000 0.225 173 P C 0.723 178.131 177.300 0.179 0.000 1.148 173 P CA 1.419 64.683 63.100 0.273 0.000 0.779 173 P CB 0.225 31.987 31.700 0.103 0.000 0.780 174 D N -1.794 118.760 120.400 0.257 0.000 2.366 174 D HA 0.007 4.648 4.640 0.002 0.000 0.205 174 D C 0.135 176.539 176.300 0.175 0.000 1.022 174 D CA 0.335 54.523 54.000 0.313 0.000 0.868 174 D CB -0.509 40.556 40.800 0.443 0.000 0.953 174 D HN 0.152 nan 8.370 nan 0.000 0.514 175 C N 2.415 121.793 119.300 0.131 0.000 2.485 175 C HA 0.205 4.666 4.460 0.002 0.000 0.408 175 C C 2.133 177.144 174.990 0.035 0.000 1.034 175 C CA -0.751 58.292 59.018 0.042 0.000 1.267 175 C CB -1.359 26.402 27.740 0.035 0.000 1.703 175 C HN 0.041 nan 8.230 nan 0.000 0.530 176 V N 2.639 122.557 119.914 0.006 0.000 2.331 176 V HA -0.023 4.098 4.120 0.002 0.000 0.242 176 V C 1.069 177.160 176.094 -0.005 0.000 1.034 176 V CA 1.263 63.543 62.300 -0.034 0.000 1.027 176 V CB -0.247 31.520 31.823 -0.093 0.000 0.667 176 V HN 0.649 nan 8.190 nan 0.000 0.457 177 V N 0.595 120.513 119.914 0.007 0.000 2.472 177 V HA 0.446 4.567 4.120 0.002 0.000 0.290 177 V C 0.123 176.223 176.094 0.010 0.000 1.037 177 V CA -0.322 61.988 62.300 0.017 0.000 0.908 177 V CB 1.523 33.368 31.823 0.037 0.000 0.985 177 V HN 0.362 nan 8.190 nan 0.000 0.454 178 S N 3.211 118.919 115.700 0.013 0.000 2.565 178 S HA 0.493 4.964 4.470 0.002 0.000 0.274 178 S C 1.137 175.757 174.600 0.033 0.000 1.309 178 S CA 0.058 58.268 58.200 0.018 0.000 1.043 178 S CB 1.480 64.693 63.200 0.021 0.000 0.939 178 S HN 1.036 nan 8.310 nan 0.000 0.504 179 A N 4.442 127.280 122.820 0.030 0.000 2.206 179 A HA 0.297 4.619 4.320 0.002 0.000 0.211 179 A C 1.201 178.814 177.584 0.048 0.000 1.158 179 A CA 0.360 52.419 52.037 0.036 0.000 0.761 179 A CB -0.390 18.625 19.000 0.026 0.000 0.801 179 A HN 0.818 nan 8.150 nan 0.000 0.473 180 L N 0.305 121.561 121.223 0.055 0.000 2.978 180 L HA 0.380 4.721 4.340 0.002 0.000 0.239 180 L C 0.709 177.633 176.870 0.090 0.000 1.293 180 L CA 0.198 55.078 54.840 0.067 0.000 1.085 180 L CB -0.405 41.692 42.059 0.064 0.000 1.432 180 L HN 0.489 nan 8.230 nan 0.000 0.512 181 G N 0.549 109.406 108.800 0.094 0.000 3.055 181 G HA2 0.220 4.181 3.960 0.002 0.000 0.686 181 G HA3 0.220 4.181 3.960 0.002 0.000 0.686 181 G C -0.823 174.159 174.900 0.137 0.000 1.087 181 G CA -0.466 44.707 45.100 0.122 0.000 0.779 181 G HN 0.545 nan 8.290 nan 0.000 0.599 182 A N 2.252 125.152 122.820 0.134 0.000 2.594 182 A HA 0.850 5.171 4.320 0.002 0.000 0.296 182 A C -0.899 176.765 177.584 0.133 0.000 1.056 182 A CA -0.825 51.278 52.037 0.110 0.000 0.693 182 A CB 1.800 20.834 19.000 0.057 0.000 1.278 182 A HN 0.851 nan 8.150 nan 0.000 0.408 183 K N 0.989 121.483 120.400 0.158 0.000 2.345 183 K HA 0.684 5.005 4.320 0.002 0.000 0.255 183 K C -1.116 175.581 176.600 0.161 0.000 0.934 183 K CA -0.513 55.871 56.287 0.163 0.000 0.801 183 K CB 1.977 34.595 32.500 0.197 0.000 1.137 183 K HN 0.562 nan 8.250 nan 0.000 0.424 184 V N 4.034 123.996 119.914 0.081 0.000 2.540 184 V HA 0.524 4.645 4.120 0.002 0.000 0.302 184 V C -0.150 175.916 176.094 -0.047 0.000 1.035 184 V CA -0.955 61.375 62.300 0.051 0.000 0.873 184 V CB 1.889 33.734 31.823 0.036 0.000 0.992 184 V HN 0.532 nan 8.190 nan 0.000 0.428 185 L N 2.787 123.989 121.223 -0.036 0.000 2.342 185 L HA 0.673 5.014 4.340 0.002 0.000 0.271 185 L C 0.010 176.791 176.870 -0.149 0.000 1.008 185 L CA -0.328 54.461 54.840 -0.086 0.000 0.818 185 L CB 2.246 44.248 42.059 -0.094 0.000 1.296 185 L HN 0.704 nan 8.230 nan 0.000 0.427 186 S N 1.235 116.826 115.700 -0.181 0.000 2.472 186 S HA 0.705 5.176 4.470 0.002 0.000 0.303 186 S C -0.844 173.771 174.600 0.025 0.000 1.099 186 S CA -0.320 57.758 58.200 -0.203 0.000 1.077 186 S CB 1.539 64.602 63.200 -0.228 0.000 1.031 186 S HN 0.602 nan 8.310 nan 0.000 0.487 187 S N 2.728 118.515 115.700 0.146 0.000 2.533 187 S HA 0.466 4.937 4.470 0.002 0.000 0.271 187 S C -1.261 173.418 174.600 0.132 0.000 1.143 187 S CA -0.597 57.696 58.200 0.155 0.000 0.891 187 S CB 1.310 64.647 63.200 0.228 0.000 1.105 187 S HN 0.612 nan 8.310 nan 0.000 0.468 188 V N 5.340 125.275 119.914 0.035 0.000 2.112 188 V HA 0.368 4.490 4.120 0.002 0.000 0.271 188 V C -0.088 175.980 176.094 -0.043 0.000 1.465 188 V CA -0.519 61.724 62.300 -0.096 0.000 1.419 188 V CB -0.289 31.365 31.823 -0.281 0.000 1.409 188 V HN 0.533 nan 8.190 nan 0.000 0.495 189 K N 2.539 122.979 120.400 0.067 0.000 2.284 189 K HA 0.200 4.521 4.320 0.002 0.000 0.287 189 K C 0.303 176.964 176.600 0.101 0.000 1.081 189 K CA 0.033 56.377 56.287 0.095 0.000 0.910 189 K CB 0.385 32.987 32.500 0.170 0.000 1.088 189 K HN 0.552 nan 8.250 nan 0.000 0.478 190 D N 2.687 123.136 120.400 0.081 0.000 2.848 190 D HA -0.211 4.430 4.640 0.002 0.000 0.245 190 D C 0.505 176.930 176.300 0.209 0.000 1.122 190 D CA 0.905 54.978 54.000 0.121 0.000 0.769 190 D CB -0.646 40.225 40.800 0.118 0.000 1.025 190 D HN 0.897 nan 8.370 nan 0.000 0.423 191 R N -1.464 119.088 120.500 0.086 0.000 3.862 191 R HA -0.260 4.082 4.340 0.002 0.000 0.470 191 R C -0.589 175.570 176.300 -0.234 0.000 0.879 191 R CA 1.723 57.833 56.100 0.017 0.000 1.508 191 R CB -1.247 29.122 30.300 0.115 0.000 2.170 191 R HN 0.245 nan 8.270 nan 0.000 0.496 192 F N 0.083 119.962 119.950 -0.117 0.000 2.579 192 F HA 0.515 5.044 4.527 0.003 0.000 0.324 192 F C 0.588 176.357 175.800 -0.052 0.000 1.058 192 F CA -1.027 56.953 58.000 -0.033 0.000 0.944 192 F CB 1.260 40.291 39.000 0.051 0.000 1.245 192 F HN -0.157 nan 8.300 nan 0.000 0.477 193 I N 2.975 123.714 120.570 0.281 0.000 2.256 193 I HA 0.176 4.347 4.170 0.002 0.000 0.294 193 I C -0.636 175.699 176.117 0.363 0.000 1.127 193 I CA -0.419 61.050 61.300 0.283 0.000 1.247 193 I CB -0.318 37.921 38.000 0.397 0.000 1.460 193 I HN 0.480 nan 8.210 nan 0.000 0.511 194 N N 5.109 123.953 118.700 0.241 0.000 2.482 194 N HA 0.366 5.107 4.740 0.002 0.000 0.260 194 N C -0.959 174.635 175.510 0.141 0.000 1.236 194 N CA 0.314 53.406 53.050 0.070 0.000 0.938 194 N CB 0.602 38.978 38.487 -0.185 0.000 1.128 194 N HN 0.233 nan 8.380 nan 0.000 0.448 195 F N 1.227 120.915 119.950 -0.437 0.000 2.499 195 F HA 0.400 4.929 4.527 0.002 0.000 0.333 195 F C -0.973 174.565 175.800 -0.437 0.000 1.138 195 F CA -0.840 56.962 58.000 -0.329 0.000 0.945 195 F CB 0.605 39.370 39.000 -0.392 0.000 1.181 195 F HN 0.287 nan 8.300 nan 0.000 0.435 196 F N 4.075 124.078 119.950 0.088 0.000 2.334 196 F HA 0.543 5.072 4.527 0.002 0.000 0.367 196 F C -0.163 175.779 175.800 0.237 0.000 1.115 196 F CA -1.009 57.114 58.000 0.205 0.000 1.116 196 F CB 0.870 40.052 39.000 0.303 0.000 1.230 196 F HN -0.030 nan 8.300 nan 0.000 0.484 197 V N 2.600 122.643 119.914 0.216 0.000 2.417 197 V HA 0.718 4.839 4.120 0.002 0.000 0.291 197 V C 0.293 176.303 176.094 -0.139 0.000 1.024 197 V CA -0.819 61.535 62.300 0.090 0.000 0.861 197 V CB 1.673 33.509 31.823 0.021 0.000 0.985 197 V HN 0.837 nan 8.190 nan 0.000 0.436 198 G N 3.581 112.243 108.800 -0.231 0.000 2.468 198 G HA2 0.506 4.468 3.960 0.002 0.000 0.315 198 G HA3 0.506 4.468 3.960 0.002 0.000 0.315 198 G C -0.646 173.845 174.900 -0.682 0.000 1.203 198 G CA -0.471 44.105 45.100 -0.875 0.000 0.962 198 G HN 0.538 nan 8.290 nan 0.000 0.476 199 N N 1.176 119.552 118.700 -0.540 0.000 2.372 199 N HA 0.388 5.129 4.740 0.002 0.000 0.291 199 N C -0.330 175.211 175.510 0.052 0.000 1.024 199 N CA -0.302 52.654 53.050 -0.157 0.000 0.873 199 N CB 1.966 40.408 38.487 -0.074 0.000 1.206 199 N HN 0.280 nan 8.380 nan 0.000 0.486 200 T N 2.986 117.648 114.554 0.181 0.000 2.729 200 T HA 0.425 4.776 4.350 0.002 0.000 0.296 200 T C 0.676 175.448 174.700 0.120 0.000 0.928 200 T CA -0.349 61.887 62.100 0.227 0.000 1.045 200 T CB -0.233 68.766 68.868 0.218 0.000 0.902 200 T HN 0.374 nan 8.240 nan 0.000 0.500 201 I N 1.809 122.441 120.570 0.103 0.000 2.465 201 I HA 0.646 4.817 4.170 0.002 0.000 0.291 201 I C -0.286 175.865 176.117 0.057 0.000 1.014 201 I CA -1.130 60.204 61.300 0.058 0.000 1.093 201 I CB 1.853 39.868 38.000 0.026 0.000 1.267 201 I HN 0.438 nan 8.210 nan 0.000 0.431 202 N N 3.792 122.519 118.700 0.045 0.000 2.671 202 N HA 0.283 5.025 4.740 0.002 0.000 0.303 202 N C -0.602 174.930 175.510 0.037 0.000 1.277 202 N CA -0.717 52.360 53.050 0.044 0.000 0.933 202 N CB 1.215 39.728 38.487 0.043 0.000 1.190 202 N HN 0.624 nan 8.380 nan 0.000 0.600 203 S N -0.126 115.600 115.700 0.042 0.000 2.457 203 S HA 0.360 4.832 4.470 0.002 0.000 0.294 203 S C -0.360 174.289 174.600 0.082 0.000 1.201 203 S CA -0.351 57.881 58.200 0.053 0.000 1.112 203 S CB -1.196 62.039 63.200 0.057 0.000 1.018 203 S HN 0.754 nan 8.310 nan 0.000 0.511 204 S N 3.385 119.145 115.700 0.099 0.000 2.578 204 S HA 0.556 5.027 4.470 0.002 0.000 0.272 204 S C -1.188 173.534 174.600 0.203 0.000 1.145 204 S CA -0.987 57.313 58.200 0.167 0.000 0.835 204 S CB 0.521 63.773 63.200 0.088 0.000 1.104 204 S HN 0.476 nan 8.310 nan 0.000 0.458 211 L N 2.896 123.894 121.223 -0.376 0.000 4.306 211 L HA 0.058 4.400 4.340 0.002 0.000 0.236 211 L C -0.826 175.873 176.870 -0.285 0.000 1.058 211 L CA -0.462 54.235 54.840 -0.238 0.000 1.406 211 L CB 0.626 42.614 42.059 -0.119 0.000 1.921 211 L HN 0.554 nan 8.230 nan 0.000 0.720 212 H N 1.347 120.342 119.070 -0.125 0.000 2.722 212 H HA 0.150 4.707 4.556 0.002 0.000 0.328 212 H C 1.126 176.380 175.328 -0.122 0.000 1.067 212 H CA 0.484 56.447 56.048 -0.142 0.000 1.447 212 H CB 1.651 31.308 29.762 -0.175 0.000 1.469 212 H HN 0.639 nan 8.280 nan 0.000 0.544 213 S N 3.066 118.765 115.700 -0.002 0.000 2.402 213 S HA -0.002 4.470 4.470 0.002 0.000 0.229 213 S C 0.913 175.389 174.600 -0.208 0.000 1.021 213 S CA 0.693 58.859 58.200 -0.056 0.000 0.974 213 S CB 0.312 63.541 63.200 0.048 0.000 0.800 213 S HN 0.479 nan 8.310 nan 0.000 0.484 214 I N 1.429 121.908 120.570 -0.152 0.000 2.644 214 I HA 0.391 4.562 4.170 0.002 0.000 0.291 214 I C -1.336 174.675 176.117 -0.177 0.000 1.180 214 I CA -0.430 60.714 61.300 -0.259 0.000 1.040 214 I CB 2.396 40.223 38.000 -0.290 0.000 1.255 214 I HN 0.256 nan 8.210 nan 0.000 0.422 215 S N 4.327 119.948 115.700 -0.131 0.000 2.562 215 S HA 0.497 4.968 4.470 0.002 0.000 0.274 215 S C -1.025 173.559 174.600 -0.027 0.000 1.160 215 S CA -0.728 57.448 58.200 -0.040 0.000 0.933 215 S CB 1.837 65.079 63.200 0.070 0.000 1.100 215 S HN 0.212 nan 8.310 nan 0.000 0.468 216 V N 4.145 124.033 119.914 -0.044 0.000 2.180 216 V HA 0.354 4.475 4.120 0.002 0.000 0.265 216 V C 0.558 176.538 176.094 -0.189 0.000 1.214 216 V CA -0.648 61.540 62.300 -0.186 0.000 1.130 216 V CB -0.543 31.203 31.823 -0.128 0.000 1.266 216 V HN 0.883 nan 8.190 nan 0.000 0.473 217 R N 3.243 123.573 120.500 -0.282 0.000 2.265 217 R HA 0.457 4.798 4.340 0.002 0.000 0.314 217 R C 0.051 176.173 176.300 -0.296 0.000 1.053 217 R CA -0.554 55.250 56.100 -0.494 0.000 0.931 217 R CB 0.857 30.604 30.300 -0.921 0.000 1.024 217 R HN 0.689 nan 8.270 nan 0.000 0.457 218 R N 2.178 122.574 120.500 -0.174 0.000 2.528 218 R HA 0.422 4.763 4.340 0.002 0.000 0.271 218 R C -0.436 175.958 176.300 0.158 0.000 1.056 218 R CA -0.877 55.224 56.100 0.002 0.000 1.117 218 R CB 0.696 30.975 30.300 -0.035 0.000 1.085 218 R HN 0.573 nan 8.270 nan 0.000 0.530 219 L N 1.072 122.447 121.223 0.253 0.000 2.421 219 L HA 0.399 4.741 4.340 0.002 0.000 0.263 219 L C -0.802 176.151 176.870 0.137 0.000 1.122 219 L CA -0.192 54.709 54.840 0.102 0.000 0.804 219 L CB 1.036 43.111 42.059 0.026 0.000 1.150 219 L HN 0.664 nan 8.230 nan 0.000 0.457 220 K N 1.198 121.564 120.400 -0.057 0.000 2.095 220 K HA 0.319 4.640 4.320 0.002 0.000 0.252 220 K C 0.667 177.261 176.600 -0.010 0.000 0.977 220 K CA -0.244 56.078 56.287 0.060 0.000 0.900 220 K CB 0.868 33.335 32.500 -0.054 0.000 1.060 220 K HN 0.547 nan 8.250 nan 0.000 0.449 221 E N -0.442 119.833 120.200 0.124 0.000 2.347 221 E HA -0.149 4.202 4.350 0.002 0.000 0.196 221 E C 1.410 177.957 176.600 -0.087 0.000 1.008 221 E CA 1.028 57.497 56.400 0.114 0.000 0.852 221 E CB -0.143 29.663 29.700 0.177 0.000 0.783 221 E HN 0.659 nan 8.360 nan 0.000 0.505 222 T N 0.363 114.850 114.554 -0.113 0.000 2.995 222 T HA -0.123 4.229 4.350 0.002 0.000 0.269 222 T C 0.181 174.717 174.700 -0.273 0.000 1.091 222 T CA 0.605 62.609 62.100 -0.159 0.000 1.128 222 T CB -0.379 68.412 68.868 -0.128 0.000 0.891 222 T HN 0.161 nan 8.240 nan 0.000 0.492 223 K N 1.918 122.099 120.400 -0.365 0.000 3.585 223 K HA -0.123 4.199 4.320 0.002 0.000 0.275 223 K C -0.953 175.402 176.600 -0.408 0.000 1.026 223 K CA 0.683 56.696 56.287 -0.457 0.000 0.800 223 K CB -1.689 30.522 32.500 -0.483 0.000 1.401 223 K HN 0.688 nan 8.250 nan 0.000 0.453 224 D N -1.337 118.829 120.400 -0.390 0.000 3.285 224 D HA 0.290 4.931 4.640 0.002 0.000 0.314 224 D C 0.287 176.402 176.300 -0.308 0.000 1.601 224 D CA 0.327 54.137 54.000 -0.316 0.000 0.772 224 D CB 0.243 40.899 40.800 -0.239 0.000 1.312 224 D HN 0.490 nan 8.370 nan 0.000 0.550 225 G N -1.118 107.382 108.800 -0.500 0.000 2.320 225 G HA2 0.428 4.390 3.960 0.002 0.000 0.297 225 G HA3 0.428 4.390 3.960 0.002 0.000 0.297 225 G C -1.921 172.510 174.900 -0.782 0.000 1.344 225 G CA -1.075 43.747 45.100 -0.462 0.000 0.851 225 G HN 0.013 nan 8.290 nan 0.000 0.567 226 F N -0.284 119.554 119.950 -0.186 0.000 2.640 226 F HA 0.872 5.402 4.527 0.004 0.000 0.324 226 F C 0.467 176.094 175.800 -0.288 0.000 1.077 226 F CA -0.887 56.944 58.000 -0.282 0.000 0.965 226 F CB 2.633 41.400 39.000 -0.388 0.000 1.351 226 F HN 0.673 nan 8.300 nan 0.000 0.487 227 M N 0.996 120.503 119.600 -0.156 0.000 2.294 227 M HA 0.553 5.034 4.480 0.002 0.000 0.280 227 M C -2.106 174.033 176.300 -0.269 0.000 1.085 227 M CA -0.509 54.685 55.300 -0.177 0.000 0.969 227 M CB 1.563 34.124 32.600 -0.064 0.000 1.770 227 M HN 0.335 nan 8.290 nan 0.000 0.485 228 F N 1.885 121.832 119.950 -0.005 0.000 2.299 228 F HA 0.518 5.047 4.527 0.003 0.000 0.293 228 F C 0.837 176.626 175.800 -0.018 0.000 1.252 228 F CA -0.525 57.465 58.000 -0.018 0.000 1.160 228 F CB 0.278 39.284 39.000 0.010 0.000 1.405 228 F HN 0.562 nan 8.300 nan 0.000 0.517 229 L N -1.216 120.121 121.223 0.190 0.000 2.902 229 L HA 0.231 4.573 4.340 0.002 0.000 0.254 229 L C 0.204 177.116 176.870 0.069 0.000 1.115 229 L CA 0.445 55.333 54.840 0.081 0.000 0.947 229 L CB 0.313 42.385 42.059 0.022 0.000 1.369 229 L HN 0.796 nan 8.230 nan 0.000 0.538 230 T N -5.886 108.709 114.554 0.069 0.000 2.864 230 T HA 0.236 4.587 4.350 0.002 0.000 0.299 230 T C 0.414 175.075 174.700 -0.065 0.000 1.166 230 T CA -0.554 61.546 62.100 -0.001 0.000 1.007 230 T CB 1.787 70.635 68.868 -0.034 0.000 1.219 230 T HN -0.152 nan 8.240 nan 0.000 0.506 231 D N 0.049 120.391 120.400 -0.097 0.000 2.182 231 D HA -0.110 4.531 4.640 0.002 0.000 0.201 231 D C 0.927 176.860 176.300 -0.612 0.000 0.986 231 D CA 1.421 55.317 54.000 -0.173 0.000 0.847 231 D CB 0.220 40.977 40.800 -0.071 0.000 0.942 231 D HN 0.654 nan 8.370 nan 0.000 0.467 232 Q N -0.556 118.957 119.800 -0.478 0.000 2.302 232 Q HA 0.142 4.483 4.340 0.002 0.000 0.332 232 Q C 0.353 176.023 176.000 -0.549 0.000 0.913 232 Q CA -0.235 55.220 55.803 -0.579 0.000 1.098 232 Q CB 0.811 29.394 28.738 -0.259 0.000 1.236 232 Q HN 0.101 nan 8.270 nan 0.000 0.436 233 S N -0.501 114.837 115.700 -0.604 0.000 2.583 233 S HA 0.196 4.668 4.470 0.002 0.000 0.239 233 S C -0.253 174.183 174.600 -0.273 0.000 0.966 233 S CA -0.538 57.479 58.200 -0.304 0.000 0.973 233 S CB -0.321 62.866 63.200 -0.022 0.000 0.794 233 S HN 0.385 nan 8.310 nan 0.000 0.463 234 Y N -1.666 118.377 120.300 -0.428 0.000 2.521 234 Y HA 0.705 5.256 4.550 0.002 0.000 0.326 234 Y C -1.524 174.061 175.900 -0.524 0.000 1.176 234 Y CA -1.869 55.925 58.100 -0.510 0.000 1.079 234 Y CB 0.404 38.377 38.460 -0.811 0.000 1.341 234 Y HN -0.066 nan 8.280 nan 0.000 0.456 235 I N 3.714 124.046 120.570 -0.397 0.000 2.404 235 I HA 0.427 4.599 4.170 0.002 0.000 0.293 235 I C -1.046 174.962 176.117 -0.182 0.000 0.992 235 I CA -0.906 60.067 61.300 -0.546 0.000 1.149 235 I CB 1.615 39.086 38.000 -0.881 0.000 1.315 235 I HN 0.696 nan 8.210 nan 0.000 0.446 236 D N 5.138 125.500 120.400 -0.062 0.000 2.505 236 D HA 0.285 4.926 4.640 0.002 0.000 0.249 236 D C -0.328 176.055 176.300 0.138 0.000 1.082 236 D CA -0.362 53.676 54.000 0.065 0.000 0.839 236 D CB 2.917 43.774 40.800 0.095 0.000 1.317 236 D HN 0.026 nan 8.370 nan 0.000 0.497 237 V N 3.416 123.412 119.914 0.135 0.000 2.450 237 V HA 0.000 4.122 4.120 0.002 0.000 0.281 237 V C 0.958 177.165 176.094 0.189 0.000 1.019 237 V CA -0.187 62.238 62.300 0.209 0.000 1.062 237 V CB -0.224 31.670 31.823 0.119 0.000 0.979 237 V HN 0.355 nan 8.190 nan 0.000 0.477 238 L N 7.789 129.169 121.223 0.262 0.000 2.516 238 L HA 0.023 4.364 4.340 0.002 0.000 0.288 238 L C -0.991 175.880 176.870 0.002 0.000 1.246 238 L CA -0.980 53.927 54.840 0.112 0.000 0.844 238 L CB -0.165 41.951 42.059 0.095 0.000 1.106 238 L HN 0.437 nan 8.230 nan 0.000 0.509 239 P HA -0.197 nan 4.420 nan 0.000 0.216 239 P C 1.101 178.312 177.300 -0.148 0.000 1.150 239 P CA 1.352 64.386 63.100 -0.109 0.000 0.837 239 P CB 0.057 31.684 31.700 -0.121 0.000 0.786 240 E N -0.966 119.042 120.200 -0.320 0.000 2.274 240 E HA -0.112 4.239 4.350 0.002 0.000 0.194 240 E C 1.021 177.407 176.600 -0.356 0.000 0.996 240 E CA 0.929 57.081 56.400 -0.414 0.000 0.840 240 E CB -0.875 28.452 29.700 -0.621 0.000 0.772 240 E HN 0.343 nan 8.360 nan 0.000 0.491 241 F N 0.443 120.421 119.950 0.047 0.000 2.664 241 F HA 0.332 4.860 4.527 0.002 0.000 0.303 241 F C 2.112 177.946 175.800 0.056 0.000 1.092 241 F CA -0.830 57.212 58.000 0.071 0.000 1.305 241 F CB 0.280 39.338 39.000 0.098 0.000 1.054 241 F HN -0.131 nan 8.300 nan 0.000 0.565 242 R N 1.343 121.917 120.500 0.123 0.000 2.115 242 R HA -0.228 4.113 4.340 0.002 0.000 0.239 242 R C 1.741 178.093 176.300 0.087 0.000 1.133 242 R CA 2.367 58.513 56.100 0.077 0.000 0.935 242 R CB -0.580 29.729 30.300 0.015 0.000 0.853 242 R HN 0.137 nan 8.270 nan 0.000 0.433 243 D N -1.377 119.068 120.400 0.076 0.000 2.388 243 D HA 0.057 4.699 4.640 0.002 0.000 0.208 243 D C 1.526 177.858 176.300 0.054 0.000 1.035 243 D CA 0.843 54.878 54.000 0.059 0.000 0.875 243 D CB 0.173 40.997 40.800 0.040 0.000 0.984 243 D HN 0.304 nan 8.370 nan 0.000 0.508 244 S N -0.507 115.250 115.700 0.095 0.000 2.426 244 S HA -0.197 4.275 4.470 0.002 0.000 0.220 244 S C 0.793 175.379 174.600 -0.023 0.000 1.040 244 S CA 0.774 59.024 58.200 0.083 0.000 1.094 244 S CB -0.709 62.632 63.200 0.235 0.000 1.072 244 S HN 0.247 nan 8.310 nan 0.000 0.415 245 Y N 3.229 123.595 120.300 0.110 0.000 2.575 245 Y HA 0.552 5.103 4.550 0.002 0.000 0.326 245 Y C -2.531 173.415 175.900 0.077 0.000 0.979 245 Y CA -2.428 55.716 58.100 0.073 0.000 1.286 245 Y CB 1.276 39.727 38.460 -0.014 0.000 1.093 245 Y HN 0.293 nan 8.280 nan 0.000 0.501 246 P HA 0.234 nan 4.420 nan 0.000 0.274 246 P C -0.649 176.737 177.300 0.142 0.000 1.260 246 P CA -0.175 63.014 63.100 0.149 0.000 0.793 246 P CB 1.208 32.983 31.700 0.126 0.000 1.048 247 I N 0.206 120.823 120.570 0.080 0.000 2.466 247 I HA 0.229 4.400 4.170 0.002 0.000 0.279 247 I C 0.082 176.171 176.117 -0.046 0.000 1.033 247 I CA -0.953 60.323 61.300 -0.041 0.000 1.123 247 I CB 1.208 39.090 38.000 -0.195 0.000 1.237 247 I HN -0.009 nan 8.210 nan 0.000 0.460 248 K N 5.827 126.220 120.400 -0.012 0.000 2.316 248 K HA 0.260 4.581 4.320 0.002 0.000 0.289 248 K C -0.956 175.639 176.600 -0.009 0.000 1.070 248 K CA -0.269 56.049 56.287 0.052 0.000 0.928 248 K CB 0.499 33.034 32.500 0.058 0.000 1.039 248 K HN 0.321 nan 8.250 nan 0.000 0.480 249 Y N 2.196 122.579 120.300 0.139 0.000 2.452 249 Y HA 0.002 4.554 4.550 0.003 0.000 0.348 249 Y C 1.556 177.567 175.900 0.185 0.000 0.985 249 Y CA -0.202 58.014 58.100 0.193 0.000 1.214 249 Y CB 0.764 39.362 38.460 0.230 0.000 1.136 249 Y HN 0.292 nan 8.280 nan 0.000 0.523 250 V N 2.597 122.673 119.914 0.270 0.000 2.331 250 V HA -0.083 4.038 4.120 0.002 0.000 0.242 250 V C 0.408 176.677 176.094 0.290 0.000 1.034 250 V CA 1.300 63.730 62.300 0.216 0.000 1.027 250 V CB -0.168 31.733 31.823 0.131 0.000 0.667 250 V HN 0.733 nan 8.190 nan 0.000 0.457 251 H N -1.661 117.517 119.070 0.179 0.000 3.014 251 H HA 0.647 5.204 4.556 0.002 0.000 0.337 251 H C -1.520 173.837 175.328 0.049 0.000 1.320 251 H CA 0.079 56.206 56.048 0.132 0.000 1.128 251 H CB 2.095 31.932 29.762 0.126 0.000 1.862 251 H HN 0.254 nan 8.280 nan 0.000 0.536 252 A N 2.140 124.444 122.820 -0.861 0.000 2.587 252 A HA 0.691 5.013 4.320 0.002 0.000 0.293 252 A C -1.872 175.327 177.584 -0.641 0.000 1.087 252 A CA -0.312 51.201 52.037 -0.873 0.000 0.692 252 A CB 1.720 19.787 19.000 -1.554 0.000 1.291 252 A HN 0.599 nan 8.150 nan 0.000 0.407 253 F N -1.252 118.428 119.950 -0.450 0.000 2.741 253 F HA 0.779 5.307 4.527 0.002 0.000 0.311 253 F C -0.922 174.778 175.800 -0.167 0.000 1.149 253 F CA -0.688 57.168 58.000 -0.240 0.000 0.930 253 F CB 1.198 40.163 39.000 -0.058 0.000 1.312 253 F HN 0.710 nan 8.300 nan 0.000 0.450 254 E N 1.071 121.319 120.200 0.081 0.000 2.195 254 E HA 0.671 5.022 4.350 0.002 0.000 0.271 254 E C -1.544 175.183 176.600 0.211 0.000 0.923 254 E CA -0.705 55.709 56.400 0.024 0.000 0.790 254 E CB 1.891 31.528 29.700 -0.105 0.000 1.155 254 E HN 0.856 nan 8.360 nan 0.000 0.402 255 S N 3.435 119.286 115.700 0.252 0.000 2.560 255 S HA 0.229 4.700 4.470 0.002 0.000 0.283 255 S C -1.214 173.573 174.600 0.311 0.000 1.141 255 S CA -0.547 57.802 58.200 0.249 0.000 0.902 255 S CB 0.565 63.904 63.200 0.232 0.000 1.104 255 S HN 0.745 nan 8.310 nan 0.000 0.454 256 N N 3.061 121.885 118.700 0.206 0.000 2.725 256 N HA -0.170 4.571 4.740 0.002 0.000 0.249 256 N C 0.200 175.810 175.510 0.166 0.000 1.103 256 N CA 1.488 54.678 53.050 0.232 0.000 0.707 256 N CB -1.574 37.123 38.487 0.350 0.000 1.043 256 N HN 0.791 nan 8.380 nan 0.000 0.553 257 N N -3.515 115.197 118.700 0.021 0.000 2.967 257 N HA -0.231 4.511 4.740 0.002 0.000 0.218 257 N C -0.337 174.972 175.510 -0.335 0.000 0.870 257 N CA 1.571 54.514 53.050 -0.179 0.000 1.030 257 N CB -1.416 36.900 38.487 -0.286 0.000 1.027 257 N HN 0.478 nan 8.380 nan 0.000 0.603 258 F N 1.040 120.948 119.950 -0.070 0.000 2.378 258 F HA 0.570 5.098 4.527 0.003 0.000 0.325 258 F C 1.102 176.638 175.800 -0.440 0.000 1.097 258 F CA -0.633 57.196 58.000 -0.286 0.000 1.079 258 F CB 0.851 39.636 39.000 -0.360 0.000 1.240 258 F HN -0.211 nan 8.300 nan 0.000 0.519 259 I N 2.130 122.306 120.570 -0.655 0.000 2.441 259 I HA 0.314 4.485 4.170 0.002 0.000 0.295 259 I C -0.853 174.620 176.117 -1.073 0.000 0.994 259 I CA -1.035 59.755 61.300 -0.849 0.000 1.144 259 I CB 1.366 38.697 38.000 -1.114 0.000 1.314 259 I HN 0.488 nan 8.210 nan 0.000 0.445 260 Y N 4.849 124.662 120.300 -0.812 0.000 2.536 260 Y HA 0.599 5.150 4.550 0.002 0.000 0.347 260 Y C -0.697 174.820 175.900 -0.638 0.000 1.000 260 Y CA -0.855 56.793 58.100 -0.753 0.000 1.051 260 Y CB 2.180 39.887 38.460 -1.255 0.000 1.259 260 Y HN 0.268 nan 8.280 nan 0.000 0.468 261 F N 2.110 121.994 119.950 -0.109 0.000 2.585 261 F HA 0.476 5.004 4.527 0.002 0.000 0.319 261 F C -1.107 174.773 175.800 0.134 0.000 1.165 261 F CA -0.766 57.276 58.000 0.069 0.000 0.949 261 F CB 1.389 40.541 39.000 0.254 0.000 1.218 261 F HN 0.154 nan 8.300 nan 0.000 0.453 262 L N 3.959 125.361 121.223 0.298 0.000 2.265 262 L HA 0.622 4.963 4.340 0.002 0.000 0.288 262 L C 0.082 177.076 176.870 0.208 0.000 1.058 262 L CA -0.406 54.575 54.840 0.234 0.000 0.809 262 L CB 1.305 43.485 42.059 0.202 0.000 1.179 262 L HN 0.677 nan 8.230 nan 0.000 0.429 263 T N 0.250 114.881 114.554 0.127 0.000 2.906 263 T HA 0.677 5.028 4.350 0.002 0.000 0.295 263 T C -0.550 174.184 174.700 0.057 0.000 1.061 263 T CA -0.714 61.392 62.100 0.010 0.000 1.000 263 T CB 2.160 70.909 68.868 -0.198 0.000 1.103 263 T HN 0.127 nan 8.240 nan 0.000 0.486 264 V N 3.722 123.663 119.914 0.044 0.000 2.483 264 V HA 0.695 4.816 4.120 0.002 0.000 0.295 264 V C -0.024 176.169 176.094 0.166 0.000 1.035 264 V CA -0.382 61.996 62.300 0.129 0.000 0.896 264 V CB 1.054 32.937 31.823 0.100 0.000 0.986 264 V HN 1.157 nan 8.190 nan 0.000 0.447 265 Q N 3.852 123.835 119.800 0.304 0.000 2.832 265 Q HA 0.500 4.841 4.340 0.002 0.000 0.329 265 Q C -0.759 175.447 176.000 0.345 0.000 0.816 265 Q CA -1.294 54.708 55.803 0.333 0.000 0.804 265 Q CB 1.309 30.113 28.738 0.110 0.000 1.376 265 Q HN 0.645 nan 8.270 nan 0.000 0.503 266 R N 0.277 120.793 120.500 0.027 0.000 2.827 266 R HA 0.093 4.435 4.340 0.002 0.000 0.269 266 R C 0.002 176.165 176.300 -0.229 0.000 1.048 266 R CA 0.238 56.081 56.100 -0.428 0.000 1.173 266 R CB 0.400 30.221 30.300 -0.798 0.000 1.070 266 R HN 0.794 nan 8.270 nan 0.000 0.498 267 E N -0.044 120.011 120.200 -0.242 0.000 2.051 267 E HA -0.058 4.293 4.350 0.002 0.000 0.189 267 E C 0.244 176.713 176.600 -0.219 0.000 0.979 267 E CA 1.795 58.139 56.400 -0.093 0.000 0.803 267 E CB 0.226 29.953 29.700 0.046 0.000 0.761 267 E HN 0.858 nan 8.360 nan 0.000 0.451 268 T N -2.816 111.580 114.554 -0.262 0.000 2.681 268 T HA 0.383 4.734 4.350 0.002 0.000 0.296 268 T C -0.318 174.181 174.700 -0.334 0.000 1.157 268 T CA -0.897 61.061 62.100 -0.236 0.000 1.025 268 T CB 0.605 69.381 68.868 -0.153 0.000 1.441 268 T HN -0.074 nan 8.240 nan 0.000 0.504 269 L N 2.585 123.648 121.223 -0.266 0.000 2.559 269 L HA 0.157 4.498 4.340 0.002 0.000 0.274 269 L C 1.169 177.900 176.870 -0.232 0.000 1.205 269 L CA 1.318 55.994 54.840 -0.273 0.000 0.907 269 L CB -0.310 41.603 42.059 -0.243 0.000 1.153 269 L HN 1.190 nan 8.230 nan 0.000 0.490 270 D N 0.801 121.065 120.400 -0.226 0.000 2.921 270 D HA -0.255 4.386 4.640 0.002 0.000 0.202 270 D C 0.293 176.489 176.300 -0.173 0.000 1.082 270 D CA 1.327 55.302 54.000 -0.040 0.000 1.014 270 D CB -1.045 39.804 40.800 0.081 0.000 1.120 270 D HN 0.646 nan 8.370 nan 0.000 0.416 271 A N -0.065 122.529 122.820 -0.377 0.000 2.520 271 A HA 0.234 4.556 4.320 0.002 0.000 0.245 271 A C 1.515 178.916 177.584 -0.305 0.000 1.072 271 A CA 0.462 52.331 52.037 -0.280 0.000 0.761 271 A CB 0.479 19.321 19.000 -0.264 0.000 1.004 271 A HN 0.252 nan 8.150 nan 0.000 0.499 272 Q N 1.232 120.978 119.800 -0.089 0.000 1.975 272 Q HA -0.102 4.239 4.340 0.002 0.000 0.205 272 Q C 1.415 177.395 176.000 -0.032 0.000 0.990 272 Q CA 2.008 57.823 55.803 0.019 0.000 0.845 272 Q CB -1.063 27.710 28.738 0.058 0.000 0.913 272 Q HN 1.007 nan 8.270 nan 0.000 0.420 273 T N -1.285 113.258 114.554 -0.018 0.000 2.802 273 T HA 0.274 4.625 4.350 0.002 0.000 0.305 273 T C 0.352 175.025 174.700 -0.045 0.000 1.053 273 T CA -0.431 61.712 62.100 0.071 0.000 1.058 273 T CB 0.379 69.300 68.868 0.089 0.000 0.988 273 T HN -0.088 nan 8.240 nan 0.000 0.539 274 F N -0.445 119.577 119.950 0.120 0.000 2.450 274 F HA 0.549 5.077 4.527 0.002 0.000 0.361 274 F C 1.331 177.237 175.800 0.177 0.000 1.092 274 F CA -0.703 57.387 58.000 0.151 0.000 1.105 274 F CB 0.944 40.038 39.000 0.157 0.000 1.458 274 F HN 0.740 nan 8.300 nan 0.000 0.496 275 H N -1.321 117.932 119.070 0.304 0.000 4.305 275 H HA 0.465 5.022 4.556 0.002 0.000 0.439 275 H C -1.391 174.063 175.328 0.210 0.000 1.266 275 H CA -0.201 55.962 56.048 0.192 0.000 0.824 275 H CB 1.687 31.521 29.762 0.120 0.000 0.972 275 H HN 0.408 nan 8.280 nan 0.000 0.791 276 T N 0.915 115.726 114.554 0.429 0.000 3.633 276 T HA 0.232 4.583 4.350 0.002 0.000 0.441 276 T C -1.470 173.463 174.700 0.389 0.000 1.224 276 T CA -0.583 61.711 62.100 0.324 0.000 1.054 276 T CB 0.596 69.634 68.868 0.283 0.000 1.388 276 T HN 0.514 nan 8.240 nan 0.000 0.430 277 R N 2.002 122.671 120.500 0.281 0.000 2.808 277 R HA 0.736 5.078 4.340 0.002 0.000 0.272 277 R C -0.833 175.570 176.300 0.172 0.000 0.995 277 R CA -0.961 55.279 56.100 0.234 0.000 0.917 277 R CB 2.539 32.970 30.300 0.218 0.000 1.217 277 R HN 0.555 nan 8.270 nan 0.000 0.471 278 I N 1.636 122.302 120.570 0.161 0.000 2.566 278 I HA 0.434 4.605 4.170 0.002 0.000 0.303 278 I C -1.101 175.166 176.117 0.251 0.000 0.983 278 I CA -0.975 60.448 61.300 0.204 0.000 1.235 278 I CB 1.135 39.248 38.000 0.189 0.000 1.386 278 I HN 0.459 nan 8.210 nan 0.000 0.494 279 I N 6.774 127.474 120.570 0.216 0.000 2.512 279 I HA 0.466 4.638 4.170 0.002 0.000 0.287 279 I C -0.410 175.622 176.117 -0.141 0.000 1.069 279 I CA -0.260 61.069 61.300 0.047 0.000 1.056 279 I CB 1.597 39.667 38.000 0.117 0.000 1.229 279 I HN 0.457 nan 8.210 nan 0.000 0.429 280 R N 6.439 126.693 120.500 -0.410 0.000 2.686 280 R HA 0.838 5.179 4.340 0.002 0.000 0.286 280 R C -1.968 174.125 176.300 -0.345 0.000 0.969 280 R CA -0.665 54.992 56.100 -0.737 0.000 0.898 280 R CB 1.927 31.587 30.300 -1.067 0.000 1.183 280 R HN 0.564 nan 8.270 nan 0.000 0.456 281 F N 0.815 120.602 119.950 -0.271 0.000 2.683 281 F HA 0.288 4.816 4.527 0.002 0.000 0.333 281 F C -0.721 175.111 175.800 0.053 0.000 1.160 281 F CA -1.524 56.453 58.000 -0.038 0.000 1.099 281 F CB -0.160 38.854 39.000 0.023 0.000 1.344 281 F HN 0.506 nan 8.300 nan 0.000 0.534 282 c N 1.249 119.988 118.600 0.231 0.000 2.585 282 c HA 0.774 5.345 4.570 0.002 0.000 0.406 282 c C 0.502 174.720 174.090 0.215 0.000 1.312 282 c CA -0.289 56.043 56.329 0.005 0.000 1.924 282 c CB 0.214 42.579 42.510 -0.242 0.000 2.578 282 c HN 1.024 nan 8.230 nan 0.000 0.580 283 S N 2.679 118.490 115.700 0.185 0.000 2.472 283 S HA 0.837 5.308 4.470 0.002 0.000 0.303 283 S C -0.948 173.805 174.600 0.256 0.000 1.099 283 S CA -0.549 57.833 58.200 0.304 0.000 1.077 283 S CB 0.287 63.751 63.200 0.441 0.000 1.031 283 S HN 0.687 nan 8.310 nan 0.000 0.487 284 I N 4.987 125.753 120.570 0.328 0.000 2.500 284 I HA 0.502 4.673 4.170 0.002 0.000 0.286 284 I C 0.327 176.546 176.117 0.169 0.000 1.063 284 I CA -0.325 61.085 61.300 0.184 0.000 1.062 284 I CB 1.762 39.807 38.000 0.075 0.000 1.223 284 I HN 0.775 nan 8.210 nan 0.000 0.435 285 N N 2.604 121.362 118.700 0.096 0.000 3.371 285 N HA -0.264 4.477 4.740 0.002 0.000 0.225 285 N C 0.437 175.961 175.510 0.022 0.000 0.158 285 N CA 1.849 54.917 53.050 0.030 0.000 3.732 285 N CB -0.880 37.612 38.487 0.008 0.000 1.091 285 N HN 0.636 nan 8.380 nan 0.000 0.250 286 S N 0.476 116.217 115.700 0.067 0.000 2.571 286 S HA 0.641 5.113 4.470 0.002 0.000 0.238 286 S C 0.568 175.192 174.600 0.039 0.000 1.153 286 S CA 0.155 58.374 58.200 0.031 0.000 1.141 286 S CB 0.555 63.764 63.200 0.014 0.000 1.133 286 S HN 0.701 nan 8.310 nan 0.000 0.464 287 G N 2.343 111.149 108.800 0.010 0.000 2.913 287 G HA2 0.432 4.393 3.960 0.002 0.000 0.145 287 G HA3 0.432 4.393 3.960 0.002 0.000 0.145 287 G C -0.121 174.323 174.900 -0.760 0.000 1.801 287 G CA -0.287 44.651 45.100 -0.270 0.000 1.033 287 G HN 1.107 nan 8.290 nan 0.000 0.495 288 L N 0.170 121.095 121.223 -0.495 0.000 3.523 288 L HA -0.139 4.202 4.340 0.002 0.000 0.668 288 L C 0.517 177.090 176.870 -0.495 0.000 1.211 288 L CA 0.369 54.920 54.840 -0.481 0.000 1.096 288 L CB -1.686 40.046 42.059 -0.546 0.000 1.617 288 L HN 0.715 nan 8.230 nan 0.000 0.873 289 H N -2.210 116.929 119.070 0.115 0.000 3.266 289 H HA 0.314 4.871 4.556 0.002 0.000 0.246 289 H C 1.187 176.589 175.328 0.123 0.000 0.998 289 H CA 0.704 56.803 56.048 0.085 0.000 1.152 289 H CB 0.865 30.665 29.762 0.064 0.000 1.466 289 H HN 0.440 nan 8.280 nan 0.000 0.481 290 S N 0.862 116.726 115.700 0.273 0.000 2.664 290 S HA 0.080 4.551 4.470 0.002 0.000 0.245 290 S C -0.000 174.721 174.600 0.202 0.000 1.019 290 S CA -0.513 57.820 58.200 0.221 0.000 0.996 290 S CB -0.109 63.224 63.200 0.223 0.000 0.878 290 S HN 0.287 nan 8.310 nan 0.000 0.493 291 Y N 2.907 123.278 120.300 0.119 0.000 2.904 291 Y HA 0.169 4.720 4.550 0.002 0.000 0.336 291 Y C -0.102 175.858 175.900 0.100 0.000 1.263 291 Y CA 0.757 58.912 58.100 0.093 0.000 1.547 291 Y CB 0.213 38.617 38.460 -0.094 0.000 1.272 291 Y HN 0.314 nan 8.280 nan 0.000 0.596 292 M N 5.783 125.141 119.600 -0.405 0.000 2.431 292 M HA 0.199 4.680 4.480 0.002 0.000 0.213 292 M C -2.010 174.216 176.300 -0.123 0.000 0.955 292 M CA -0.230 55.014 55.300 -0.093 0.000 0.844 292 M CB 0.921 33.489 32.600 -0.053 0.000 2.440 292 M HN 0.723 nan 8.290 nan 0.000 0.434 293 E N 3.918 124.190 120.200 0.120 0.000 2.314 293 E HA 0.742 5.093 4.350 0.002 0.000 0.262 293 E C -0.968 175.878 176.600 0.411 0.000 1.093 293 E CA -0.692 55.836 56.400 0.214 0.000 0.908 293 E CB 2.229 32.064 29.700 0.225 0.000 1.091 293 E HN 0.723 nan 8.360 nan 0.000 0.425 294 M N 1.406 121.190 119.600 0.306 0.000 2.333 294 M HA 0.264 4.745 4.480 0.002 0.000 0.286 294 M C -2.875 173.515 176.300 0.150 0.000 1.113 294 M CA -1.845 53.567 55.300 0.187 0.000 0.959 294 M CB 2.398 34.896 32.600 -0.170 0.000 1.776 294 M HN 0.128 nan 8.290 nan 0.000 0.492 295 P HA 0.287 nan 4.420 nan 0.000 0.271 295 P C -1.420 175.957 177.300 0.129 0.000 1.216 295 P CA 0.006 63.319 63.100 0.356 0.000 0.771 295 P CB 0.416 32.402 31.700 0.476 0.000 0.864 296 L N 3.451 124.734 121.223 0.100 0.000 2.343 296 L HA 0.401 4.742 4.340 0.002 0.000 0.278 296 L C 0.262 177.140 176.870 0.014 0.000 0.996 296 L CA -0.308 54.538 54.840 0.010 0.000 0.831 296 L CB 1.553 43.556 42.059 -0.093 0.000 1.232 296 L HN 0.277 nan 8.230 nan 0.000 0.413 297 E N 2.534 122.718 120.200 -0.027 0.000 2.185 297 E HA 0.258 4.610 4.350 0.002 0.000 0.261 297 E C -1.333 175.137 176.600 -0.216 0.000 0.879 297 E CA -0.520 55.809 56.400 -0.119 0.000 0.756 297 E CB 2.497 32.160 29.700 -0.061 0.000 1.152 297 E HN 0.423 nan 8.360 nan 0.000 0.416 298 c N 5.364 123.658 118.600 -0.510 0.000 2.265 298 c HA 0.560 5.131 4.570 0.002 0.000 0.332 298 c C -0.380 173.682 174.090 -0.047 0.000 1.248 298 c CA -0.482 55.560 56.329 -0.477 0.000 1.727 298 c CB -1.790 40.102 42.510 -1.030 0.000 2.348 298 c HN 0.646 nan 8.230 nan 0.000 0.519 299 I N 4.431 125.001 120.570 -0.001 0.000 3.108 299 I HA 0.948 5.120 4.170 0.002 0.000 0.312 299 I C -0.901 175.289 176.117 0.123 0.000 1.095 299 I CA -1.274 60.115 61.300 0.149 0.000 1.000 299 I CB 1.727 39.765 38.000 0.063 0.000 1.229 299 I HN 0.467 nan 8.210 nan 0.000 0.454 300 L N 1.837 123.176 121.223 0.193 0.000 2.905 300 L HA 0.480 4.821 4.340 0.002 0.000 0.260 300 L C 0.066 177.016 176.870 0.132 0.000 0.933 300 L CA 0.098 55.022 54.840 0.140 0.000 1.034 300 L CB 1.121 43.270 42.059 0.149 0.000 1.550 300 L HN 1.054 nan 8.230 nan 0.000 0.480 313 V N 3.673 123.532 119.914 -0.091 0.000 2.790 313 V HA -0.074 4.047 4.120 0.002 0.000 0.304 313 V C 0.179 176.149 176.094 -0.207 0.000 1.142 313 V CA 1.022 63.284 62.300 -0.063 0.000 1.282 313 V CB -0.534 31.262 31.823 -0.046 0.000 0.877 313 V HN 0.499 nan 8.190 nan 0.000 0.504 314 F N 4.487 124.429 119.950 -0.013 0.000 2.371 314 F HA 0.311 4.839 4.527 0.002 0.000 0.343 314 F C 1.186 177.056 175.800 0.117 0.000 1.150 314 F CA -0.921 57.113 58.000 0.057 0.000 1.220 314 F CB 0.319 39.367 39.000 0.078 0.000 1.475 314 F HN 0.612 nan 8.300 nan 0.000 0.521 315 N N 0.955 119.773 118.700 0.198 0.000 2.006 315 N HA -0.176 4.565 4.740 0.002 0.000 0.196 315 N C 0.475 176.171 175.510 0.310 0.000 1.057 315 N CA 1.035 54.201 53.050 0.193 0.000 0.853 315 N CB -0.540 38.024 38.487 0.127 0.000 1.051 315 N HN 0.213 nan 8.380 nan 0.000 0.423 316 I N 1.250 121.968 120.570 0.247 0.000 2.741 316 I HA -0.045 4.127 4.170 0.002 0.000 0.288 316 I C 0.160 176.383 176.117 0.176 0.000 1.192 316 I CA -0.170 61.241 61.300 0.185 0.000 1.426 316 I CB -0.321 37.740 38.000 0.102 0.000 1.367 316 I HN 0.257 nan 8.210 nan 0.000 0.563 317 L N 7.932 129.182 121.223 0.045 0.000 2.326 317 L HA 0.269 4.610 4.340 0.002 0.000 0.278 317 L C 0.822 177.620 176.870 -0.120 0.000 1.092 317 L CA 0.496 55.208 54.840 -0.213 0.000 0.810 317 L CB 0.924 42.808 42.059 -0.292 0.000 1.153 317 L HN 0.603 nan 8.230 nan 0.000 0.439 318 Q N 4.177 123.884 119.800 -0.155 0.000 2.391 318 Q HA 0.540 4.882 4.340 0.002 0.000 0.243 318 Q C -0.205 175.755 176.000 -0.066 0.000 0.874 318 Q CA 0.692 56.454 55.803 -0.069 0.000 0.950 318 Q CB 0.932 29.645 28.738 -0.042 0.000 1.103 318 Q HN 0.746 nan 8.270 nan 0.000 0.544 319 A N -0.168 122.583 122.820 -0.115 0.000 2.522 319 A HA 0.744 5.065 4.320 0.002 0.000 0.294 319 A C -1.812 175.692 177.584 -0.133 0.000 1.001 319 A CA -0.024 51.963 52.037 -0.083 0.000 0.642 319 A CB 0.560 19.526 19.000 -0.056 0.000 1.326 319 A HN 0.111 nan 8.150 nan 0.000 0.435 320 A N -0.225 122.498 122.820 -0.161 0.000 2.594 320 A HA 0.840 5.162 4.320 0.002 0.000 0.295 320 A C -1.741 175.697 177.584 -0.242 0.000 1.071 320 A CA -0.358 51.563 52.037 -0.194 0.000 0.685 320 A CB 1.233 20.099 19.000 -0.224 0.000 1.285 320 A HN 2.203 nan 8.150 nan 0.000 0.405 321 Y N 0.390 120.554 120.300 -0.226 0.000 2.544 321 Y HA 0.602 5.153 4.550 0.002 0.000 0.342 321 Y C -1.546 174.321 175.900 -0.057 0.000 1.062 321 Y CA -0.871 57.131 58.100 -0.163 0.000 1.023 321 Y CB 2.165 40.592 38.460 -0.055 0.000 1.308 321 Y HN 0.631 nan 8.280 nan 0.000 0.457 322 V N 5.633 125.055 119.914 -0.819 0.000 2.407 322 V HA 0.678 4.799 4.120 0.002 0.000 0.291 322 V C -0.494 175.247 176.094 -0.587 0.000 1.018 322 V CA 0.041 61.968 62.300 -0.621 0.000 0.842 322 V CB 0.793 32.179 31.823 -0.729 0.000 0.996 322 V HN 0.867 nan 8.190 nan 0.000 0.426 323 S N 5.273 120.878 115.700 -0.158 0.000 2.903 323 S HA 0.741 5.212 4.470 0.002 0.000 0.314 323 S C -0.956 173.694 174.600 0.082 0.000 1.177 323 S CA -1.050 57.151 58.200 0.002 0.000 0.859 323 S CB 2.081 65.399 63.200 0.197 0.000 1.265 323 S HN 0.350 nan 8.310 nan 0.000 0.584 324 K N 0.892 121.359 120.400 0.111 0.000 2.106 324 K HA 0.647 4.968 4.320 0.002 0.000 0.246 324 K C -2.886 173.808 176.600 0.156 0.000 0.987 324 K CA -2.357 53.978 56.287 0.080 0.000 0.904 324 K CB 0.226 32.750 32.500 0.041 0.000 1.071 324 K HN 0.431 nan 8.250 nan 0.000 0.453 325 P HA 0.177 nan 4.420 nan 0.000 0.290 325 P C -0.161 177.185 177.300 0.077 0.000 1.276 325 P CA -0.484 62.687 63.100 0.119 0.000 0.808 325 P CB 0.803 32.529 31.700 0.044 0.000 0.966 326 G N 1.840 110.684 108.800 0.072 0.000 2.491 326 G HA2 0.240 4.201 3.960 0.002 0.000 0.238 326 G HA3 0.240 4.201 3.960 0.002 0.000 0.238 326 G C 1.261 176.182 174.900 0.035 0.000 1.277 326 G CA 0.090 45.218 45.100 0.048 0.000 0.851 326 G HN 0.514 nan 8.290 nan 0.000 0.573 327 A N 1.059 123.899 122.820 0.032 0.000 1.997 327 A HA -0.207 4.114 4.320 0.002 0.000 0.221 327 A C 2.185 179.777 177.584 0.014 0.000 1.172 327 A CA 2.203 54.253 52.037 0.022 0.000 0.645 327 A CB -0.431 18.583 19.000 0.024 0.000 0.813 327 A HN 0.752 nan 8.150 nan 0.000 0.454 328 Q N -1.267 118.544 119.800 0.018 0.000 2.049 328 Q HA -0.069 4.272 4.340 0.002 0.000 0.198 328 Q C 1.931 177.929 176.000 -0.004 0.000 0.971 328 Q CA 0.959 56.767 55.803 0.009 0.000 0.833 328 Q CB -0.155 28.592 28.738 0.015 0.000 0.896 328 Q HN 0.506 nan 8.270 nan 0.000 0.434 329 L N 0.529 121.754 121.223 0.002 0.000 2.275 329 L HA -0.043 4.298 4.340 0.002 0.000 0.215 329 L C 2.041 178.898 176.870 -0.022 0.000 1.119 329 L CA 1.648 56.483 54.840 -0.008 0.000 0.790 329 L CB -1.231 40.843 42.059 0.026 0.000 0.919 329 L HN 0.267 nan 8.230 nan 0.000 0.443 330 A N -0.609 122.203 122.820 -0.012 0.000 2.168 330 A HA -0.133 4.188 4.320 0.002 0.000 0.215 330 A C 2.229 179.793 177.584 -0.033 0.000 1.152 330 A CA 0.702 52.725 52.037 -0.023 0.000 0.716 330 A CB -0.300 18.694 19.000 -0.009 0.000 0.794 330 A HN 0.465 nan 8.150 nan 0.000 0.465 331 R N -0.716 119.765 120.500 -0.032 0.000 2.128 331 R HA 0.025 4.367 4.340 0.002 0.000 0.211 331 R C 1.994 178.263 176.300 -0.051 0.000 1.067 331 R CA 1.048 57.127 56.100 -0.035 0.000 1.010 331 R CB -0.218 30.067 30.300 -0.025 0.000 0.922 331 R HN 0.630 nan 8.270 nan 0.000 0.457 332 Q N 0.981 120.745 119.800 -0.059 0.000 2.245 332 Q HA 0.044 4.385 4.340 0.002 0.000 0.201 332 Q C 1.881 177.818 176.000 -0.105 0.000 0.955 332 Q CA 1.009 56.767 55.803 -0.076 0.000 0.870 332 Q CB 0.188 28.881 28.738 -0.075 0.000 0.945 332 Q HN 0.500 nan 8.270 nan 0.000 0.461 333 I N -5.095 115.406 120.570 -0.114 0.000 4.154 333 I HA 0.496 4.667 4.170 0.002 0.000 0.334 333 I C 0.967 176.987 176.117 -0.161 0.000 1.371 333 I CA 0.325 61.528 61.300 -0.162 0.000 1.110 333 I CB 0.617 38.511 38.000 -0.177 0.000 1.085 333 I HN 0.158 nan 8.210 nan 0.000 0.398 334 G N 1.939 110.672 108.800 -0.113 0.000 2.184 334 G HA2 -0.288 3.673 3.960 0.002 0.000 0.264 334 G HA3 -0.288 3.673 3.960 0.002 0.000 0.264 334 G C 0.488 175.344 174.900 -0.074 0.000 0.975 334 G CA 0.188 45.232 45.100 -0.092 0.000 0.642 334 G HN 0.939 nan 8.290 nan 0.000 0.536 335 A N -0.182 122.590 122.820 -0.080 0.000 2.332 335 A HA 0.794 5.115 4.320 0.002 0.000 0.258 335 A C 0.930 178.493 177.584 -0.035 0.000 1.087 335 A CA 1.098 53.099 52.037 -0.060 0.000 0.802 335 A CB 0.813 19.765 19.000 -0.080 0.000 1.042 335 A HN 1.346 nan 8.150 nan 0.000 0.489 336 S N -0.754 114.933 115.700 -0.021 0.000 2.661 336 S HA 0.377 4.849 4.470 0.002 0.000 0.265 336 S C 0.943 175.539 174.600 -0.007 0.000 1.225 336 S CA -0.444 57.750 58.200 -0.010 0.000 0.986 336 S CB 0.168 63.367 63.200 -0.001 0.000 1.008 336 S HN 0.495 nan 8.310 nan 0.000 0.565 337 L N 1.788 123.011 121.223 0.000 0.000 2.418 337 L HA 0.214 4.555 4.340 0.002 0.000 0.218 337 L C 1.618 178.491 176.870 0.005 0.000 1.125 337 L CA 0.896 55.740 54.840 0.006 0.000 0.835 337 L CB -0.565 41.499 42.059 0.009 0.000 0.953 337 L HN 0.786 nan 8.230 nan 0.000 0.454 338 N N -2.860 115.841 118.700 0.002 0.000 2.184 338 N HA 0.065 4.806 4.740 0.002 0.000 0.206 338 N C -0.498 175.009 175.510 -0.005 0.000 1.151 338 N CA -0.380 52.670 53.050 0.000 0.000 0.878 338 N CB 0.347 38.836 38.487 0.003 0.000 1.014 338 N HN 0.081 nan 8.380 nan 0.000 0.512 339 D N 1.637 122.030 120.400 -0.011 0.000 2.302 339 D HA 0.168 4.809 4.640 0.002 0.000 0.248 339 D C -0.237 176.032 176.300 -0.051 0.000 1.094 339 D CA 0.083 54.070 54.000 -0.021 0.000 0.897 339 D CB 1.097 41.885 40.800 -0.020 0.000 1.200 339 D HN 0.065 nan 8.370 nan 0.000 0.429 340 D N 0.809 121.168 120.400 -0.069 0.000 2.382 340 D HA 0.175 4.816 4.640 0.002 0.000 0.240 340 D C 0.092 176.269 176.300 -0.205 0.000 1.146 340 D CA 0.210 54.130 54.000 -0.133 0.000 0.897 340 D CB 0.896 41.609 40.800 -0.146 0.000 1.197 340 D HN 0.137 nan 8.370 nan 0.000 0.432 341 I N 2.170 122.549 120.570 -0.318 0.000 2.534 341 I HA 0.079 4.250 4.170 0.002 0.000 0.288 341 I C -0.433 175.271 176.117 -0.689 0.000 1.077 341 I CA -0.733 60.251 61.300 -0.527 0.000 1.051 341 I CB 1.745 39.290 38.000 -0.758 0.000 1.234 341 I HN 0.154 nan 8.210 nan 0.000 0.425 342 L N 7.835 128.749 121.223 -0.515 0.000 2.389 342 L HA 0.417 4.758 4.340 0.002 0.000 0.265 342 L C -0.708 176.043 176.870 -0.198 0.000 1.167 342 L CA -0.005 54.606 54.840 -0.381 0.000 1.045 342 L CB -0.832 41.090 42.059 -0.227 0.000 1.351 342 L HN 0.192 nan 8.230 nan 0.000 0.419 343 F N 3.461 123.396 119.950 -0.024 0.000 2.543 343 F HA 0.462 4.991 4.527 0.002 0.000 0.375 343 F C 0.961 176.791 175.800 0.049 0.000 1.075 343 F CA 0.285 58.315 58.000 0.051 0.000 1.225 343 F CB 0.491 39.512 39.000 0.036 0.000 1.099 343 F HN 0.558 nan 8.300 nan 0.000 0.561 344 A N 3.170 126.174 122.820 0.307 0.000 2.429 344 A HA 0.627 4.949 4.320 0.002 0.000 0.289 344 A C -1.240 176.428 177.584 0.139 0.000 1.043 344 A CA -0.693 51.408 52.037 0.107 0.000 0.722 344 A CB 0.945 19.935 19.000 -0.016 0.000 1.243 344 A HN 0.470 nan 8.150 nan 0.000 0.415 345 V N 3.955 123.858 119.914 -0.018 0.000 2.389 345 V HA 0.340 4.461 4.120 0.002 0.000 0.264 345 V C -0.143 175.911 176.094 -0.067 0.000 1.049 345 V CA 0.373 62.684 62.300 0.018 0.000 0.932 345 V CB -0.440 31.346 31.823 -0.062 0.000 1.011 345 V HN 0.722 nan 8.190 nan 0.000 0.475 346 F N 2.532 122.505 119.950 0.039 0.000 2.355 346 F HA 0.846 5.374 4.527 0.002 0.000 0.340 346 F C 0.600 176.473 175.800 0.121 0.000 1.067 346 F CA -0.453 57.601 58.000 0.090 0.000 1.116 346 F CB 0.918 40.000 39.000 0.136 0.000 1.582 346 F HN 0.494 nan 8.300 nan 0.000 0.512 347 A N 0.651 123.751 122.820 0.466 0.000 2.521 347 A HA 0.321 4.642 4.320 0.002 0.000 0.298 347 A C -1.138 176.669 177.584 0.371 0.000 1.044 347 A CA -0.713 51.570 52.037 0.410 0.000 0.911 347 A CB 0.561 19.686 19.000 0.209 0.000 1.376 347 A HN 0.663 nan 8.150 nan 0.000 0.392 348 Q N 2.031 122.041 119.800 0.351 0.000 2.247 348 Q HA 0.362 4.704 4.340 0.002 0.000 0.288 348 Q C 0.682 176.711 176.000 0.048 0.000 1.079 348 Q CA 0.652 56.457 55.803 0.003 0.000 0.932 348 Q CB 0.436 28.967 28.738 -0.345 0.000 1.133 348 Q HN 1.062 nan 8.270 nan 0.000 0.377 349 S N 3.448 119.178 115.700 0.050 0.000 2.645 349 S HA 0.369 4.840 4.470 0.002 0.000 0.266 349 S C -0.236 174.386 174.600 0.037 0.000 1.258 349 S CA -0.832 57.400 58.200 0.053 0.000 0.990 349 S CB 1.204 64.450 63.200 0.076 0.000 0.967 349 S HN 0.637 nan 8.310 nan 0.000 0.556 350 K N 0.667 121.090 120.400 0.038 0.000 2.187 350 K HA 0.258 4.579 4.320 0.002 0.000 0.247 350 K C -2.598 174.037 176.600 0.058 0.000 1.019 350 K CA -1.543 54.767 56.287 0.037 0.000 0.893 350 K CB -0.466 32.053 32.500 0.031 0.000 1.025 350 K HN 0.389 nan 8.250 nan 0.000 0.500 351 P HA -0.046 nan 4.420 nan 0.000 0.257 351 P C -1.094 176.263 177.300 0.095 0.000 1.189 351 P CA 0.800 63.936 63.100 0.060 0.000 0.780 351 P CB 0.120 31.846 31.700 0.044 0.000 0.772 352 D N -0.293 120.180 120.400 0.123 0.000 3.079 352 D HA -0.156 4.486 4.640 0.002 0.000 0.214 352 D C 0.224 176.696 176.300 0.287 0.000 1.145 352 D CA 1.529 55.631 54.000 0.170 0.000 0.958 352 D CB -1.453 39.422 40.800 0.125 0.000 1.117 352 D HN 0.375 nan 8.370 nan 0.000 0.416 353 S N -1.900 113.966 115.700 0.276 0.000 2.759 353 S HA 0.815 5.286 4.470 0.002 0.000 0.310 353 S C 0.622 175.300 174.600 0.130 0.000 1.123 353 S CA 0.099 58.461 58.200 0.270 0.000 0.959 353 S CB 1.831 65.093 63.200 0.102 0.000 1.172 353 S HN 0.151 nan 8.310 nan 0.000 0.539 354 A N 0.619 123.197 122.820 -0.403 0.000 2.390 354 A HA 0.382 4.704 4.320 0.002 0.000 0.232 354 A C -0.012 177.404 177.584 -0.280 0.000 1.233 354 A CA -0.193 51.433 52.037 -0.684 0.000 0.907 354 A CB -0.192 17.860 19.000 -1.579 0.000 0.967 354 A HN 0.773 nan 8.150 nan 0.000 0.512 355 E N 2.025 122.135 120.200 -0.150 0.000 2.217 355 E HA 0.244 4.595 4.350 0.002 0.000 0.279 355 E C -2.578 174.007 176.600 -0.025 0.000 1.068 355 E CA -1.914 54.443 56.400 -0.072 0.000 0.882 355 E CB 0.395 30.071 29.700 -0.040 0.000 1.039 355 E HN 0.251 nan 8.360 nan 0.000 0.418 356 P HA -0.004 nan 4.420 nan 0.000 0.271 356 P C -0.388 176.930 177.300 0.030 0.000 1.216 356 P CA 0.229 63.344 63.100 0.026 0.000 0.776 356 P CB 0.651 32.370 31.700 0.032 0.000 0.881 357 M N 1.502 121.130 119.600 0.047 0.000 2.245 357 M HA 0.156 4.637 4.480 0.002 0.000 0.292 357 M C 0.637 176.972 176.300 0.059 0.000 1.176 357 M CA -0.150 55.177 55.300 0.044 0.000 1.035 357 M CB 0.345 32.969 32.600 0.041 0.000 1.440 357 M HN 0.234 nan 8.290 nan 0.000 0.494 358 D N 1.898 122.329 120.400 0.052 0.000 2.856 358 D HA 0.113 4.754 4.640 0.002 0.000 0.242 358 D C -0.419 175.935 176.300 0.090 0.000 1.226 358 D CA 0.446 54.481 54.000 0.057 0.000 0.855 358 D CB -0.257 40.566 40.800 0.038 0.000 1.065 358 D HN 0.291 nan 8.370 nan 0.000 0.462 359 R N 0.304 120.883 120.500 0.132 0.000 2.407 359 R HA 0.323 4.665 4.340 0.002 0.000 0.298 359 R C -0.639 175.869 176.300 0.346 0.000 1.166 359 R CA -0.380 55.849 56.100 0.214 0.000 1.006 359 R CB 1.488 31.899 30.300 0.184 0.000 1.145 359 R HN -0.135 nan 8.270 nan 0.000 0.538 360 S N 1.214 117.073 115.700 0.264 0.000 2.509 360 S HA 0.751 5.222 4.470 0.002 0.000 0.297 360 S C -0.212 174.385 174.600 -0.005 0.000 1.118 360 S CA -0.595 57.713 58.200 0.179 0.000 1.074 360 S CB 1.952 65.186 63.200 0.058 0.000 1.038 360 S HN 0.678 nan 8.310 nan 0.000 0.498 361 A N 2.461 125.107 122.820 -0.290 0.000 2.858 361 A HA 0.997 5.318 4.320 0.002 0.000 0.232 361 A C -0.752 176.801 177.584 -0.052 0.000 1.258 361 A CA -0.671 51.056 52.037 -0.516 0.000 0.909 361 A CB 1.182 19.264 19.000 -1.529 0.000 1.491 361 A HN 0.705 nan 8.150 nan 0.000 0.472 362 M N -0.605 119.018 119.600 0.038 0.000 2.525 362 M HA 0.424 4.905 4.480 0.002 0.000 0.286 362 M C -2.212 174.168 176.300 0.133 0.000 1.019 362 M CA -0.388 55.060 55.300 0.246 0.000 0.865 362 M CB 0.701 33.517 32.600 0.361 0.000 1.851 362 M HN 1.460 nan 8.290 nan 0.000 0.544 363 c N 1.339 120.050 118.600 0.185 0.000 3.311 363 c HA 1.023 5.594 4.570 0.002 0.000 0.325 363 c C -0.243 173.826 174.090 -0.035 0.000 1.352 363 c CA -0.620 55.673 56.329 -0.060 0.000 1.308 363 c CB 1.130 43.452 42.510 -0.312 0.000 1.619 363 c HN 1.193 nan 8.230 nan 0.000 0.469 364 A N 0.329 122.977 122.820 -0.287 0.000 2.324 364 A HA 0.906 5.228 4.320 0.002 0.000 0.330 364 A C -1.359 175.900 177.584 -0.541 0.000 1.165 364 A CA -0.272 51.578 52.037 -0.313 0.000 0.813 364 A CB 0.381 19.157 19.000 -0.373 0.000 1.197 364 A HN 0.787 nan 8.150 nan 0.000 0.484 365 F N 2.097 121.889 119.950 -0.264 0.000 2.430 365 F HA 0.375 4.904 4.527 0.002 0.000 0.362 365 F C -2.406 173.262 175.800 -0.219 0.000 1.103 365 F CA -2.483 55.404 58.000 -0.188 0.000 1.045 365 F CB 1.715 40.639 39.000 -0.126 0.000 1.276 365 F HN 0.276 nan 8.300 nan 0.000 0.444 366 P HA -0.009 nan 4.420 nan 0.000 0.257 366 P C 1.037 178.340 177.300 0.005 0.000 1.189 366 P CA 0.270 63.331 63.100 -0.065 0.000 0.780 366 P CB 0.457 32.133 31.700 -0.041 0.000 0.772 367 I N 3.913 124.443 120.570 -0.067 0.000 2.315 367 I HA -0.260 3.912 4.170 0.002 0.000 0.251 367 I C 2.009 178.136 176.117 0.017 0.000 1.125 367 I CA 1.695 62.955 61.300 -0.068 0.000 1.392 367 I CB -0.557 37.365 38.000 -0.130 0.000 1.065 367 I HN 0.346 nan 8.210 nan 0.000 0.424 368 K N -1.272 119.156 120.400 0.047 0.000 2.097 368 K HA -0.207 4.114 4.320 0.002 0.000 0.205 368 K C 2.222 178.893 176.600 0.119 0.000 1.050 368 K CA 1.289 57.626 56.287 0.084 0.000 0.938 368 K CB -0.319 32.228 32.500 0.079 0.000 0.718 368 K HN 0.270 nan 8.250 nan 0.000 0.442 369 Y N 1.403 121.701 120.300 -0.004 0.000 2.242 369 Y HA -0.193 4.358 4.550 0.002 0.000 0.291 369 Y C 1.948 177.850 175.900 0.004 0.000 1.137 369 Y CA 0.806 58.911 58.100 0.008 0.000 1.181 369 Y CB -0.216 38.225 38.460 -0.032 0.000 0.989 369 Y HN -0.263 nan 8.280 nan 0.000 0.527 370 V N 0.885 120.775 119.914 -0.041 0.000 2.392 370 V HA -0.311 3.810 4.120 0.002 0.000 0.249 370 V C 1.513 177.547 176.094 -0.099 0.000 1.059 370 V CA 2.090 64.286 62.300 -0.173 0.000 1.051 370 V CB -0.664 31.121 31.823 -0.063 0.000 0.658 370 V HN 0.418 nan 8.190 nan 0.000 0.455 371 N N 0.127 118.851 118.700 0.040 0.000 2.485 371 N HA -0.039 4.703 4.740 0.002 0.000 0.199 371 N C 0.634 176.170 175.510 0.043 0.000 1.236 371 N CA 0.535 53.638 53.050 0.089 0.000 0.852 371 N CB 0.120 38.640 38.487 0.054 0.000 1.018 371 N HN 0.531 nan 8.380 nan 0.000 0.457 372 D N -1.476 118.907 120.400 -0.029 0.000 2.531 372 D HA 0.109 4.750 4.640 0.002 0.000 0.263 372 D C 1.342 177.599 176.300 -0.071 0.000 1.057 372 D CA -0.007 53.969 54.000 -0.040 0.000 0.909 372 D CB -0.143 40.617 40.800 -0.067 0.000 1.236 372 D HN 0.023 nan 8.370 nan 0.000 0.494 373 F N 0.561 120.260 119.950 -0.418 0.000 2.126 373 F HA -0.064 4.464 4.527 0.002 0.000 0.299 373 F C 1.969 177.523 175.800 -0.409 0.000 1.096 373 F CA 1.081 58.809 58.000 -0.453 0.000 1.255 373 F CB -0.616 38.003 39.000 -0.635 0.000 0.997 373 F HN -0.044 nan 8.300 nan 0.000 0.479 374 F N -0.041 119.813 119.950 -0.160 0.000 2.171 374 F HA -0.221 4.307 4.527 0.002 0.000 0.300 374 F C 1.612 177.419 175.800 0.013 0.000 1.090 374 F CA 0.915 58.784 58.000 -0.218 0.000 1.293 374 F CB -0.564 38.318 39.000 -0.198 0.000 1.013 374 F HN -0.100 nan 8.300 nan 0.000 0.486 375 N N 0.187 118.984 118.700 0.162 0.000 2.434 375 N HA 0.022 4.763 4.740 0.002 0.000 0.196 375 N C -0.616 174.944 175.510 0.085 0.000 1.183 375 N CA 0.417 53.540 53.050 0.122 0.000 0.849 375 N CB -0.039 38.494 38.487 0.077 0.000 0.992 375 N HN 0.159 nan 8.380 nan 0.000 0.460 376 K N 0.405 120.856 120.400 0.086 0.000 2.221 376 K HA 0.406 4.728 4.320 0.002 0.000 0.258 376 K C -0.437 176.263 176.600 0.166 0.000 0.944 376 K CA -0.867 55.446 56.287 0.042 0.000 0.823 376 K CB 1.739 34.162 32.500 -0.129 0.000 1.113 376 K HN -0.072 nan 8.250 nan 0.000 0.431 385 c N 3.155 121.715 118.600 -0.067 0.000 2.641 385 c HA 0.062 4.633 4.570 0.002 0.000 0.412 385 c C 0.726 174.854 174.090 0.064 0.000 1.312 385 c CA 0.001 56.330 56.329 -0.000 0.000 1.838 385 c CB -0.460 42.025 42.510 -0.042 0.000 2.682 385 c HN 0.557 nan 8.230 nan 0.000 0.627 386 L N 3.895 125.212 121.223 0.157 0.000 2.410 386 L HA 0.144 4.486 4.340 0.002 0.000 0.273 386 L C 1.039 177.916 176.870 0.012 0.000 1.144 386 L CA 0.707 55.590 54.840 0.072 0.000 0.863 386 L CB 0.911 43.018 42.059 0.079 0.000 1.140 386 L HN 0.731 nan 8.230 nan 0.000 0.463 387 Q N 1.707 121.461 119.800 -0.077 0.000 2.123 387 Q HA -0.148 4.193 4.340 0.002 0.000 0.199 387 Q C 1.410 177.329 176.000 -0.134 0.000 0.966 387 Q CA 2.107 57.852 55.803 -0.097 0.000 0.845 387 Q CB -0.064 28.578 28.738 -0.160 0.000 0.907 387 Q HN 0.940 nan 8.270 nan 0.000 0.439 388 H N -2.379 116.656 119.070 -0.058 0.000 2.497 388 H HA 0.067 4.624 4.556 0.002 0.000 0.282 388 H C 1.479 176.908 175.328 0.168 0.000 1.003 388 H CA 0.529 56.575 56.048 -0.003 0.000 1.307 388 H CB -0.423 29.338 29.762 -0.002 0.000 1.437 388 H HN 0.172 nan 8.280 nan 0.000 0.544 389 F N 1.571 121.326 119.950 -0.325 0.000 2.074 389 F HA 0.102 4.631 4.527 0.002 0.000 0.293 389 F C 0.272 175.848 175.800 -0.374 0.000 1.116 389 F CA -0.010 57.774 58.000 -0.359 0.000 1.212 389 F CB -0.609 38.012 39.000 -0.631 0.000 0.998 389 F HN 0.031 nan 8.300 nan 0.000 0.471 390 Y N -0.304 119.809 120.300 -0.312 0.000 2.453 390 Y HA 0.511 5.063 4.550 0.002 0.000 0.344 390 Y C 1.167 176.928 175.900 -0.231 0.000 1.323 390 Y CA -0.857 56.971 58.100 -0.454 0.000 1.526 390 Y CB -0.606 37.717 38.460 -0.229 0.000 1.603 390 Y HN 0.008 nan 8.280 nan 0.000 0.563 391 G N 0.461 109.111 108.800 -0.250 0.000 2.370 391 G HA2 0.302 4.263 3.960 0.002 0.000 0.272 391 G HA3 0.302 4.263 3.960 0.002 0.000 0.272 391 G C -2.158 172.835 174.900 0.155 0.000 1.208 391 G CA -1.123 43.929 45.100 -0.079 0.000 0.856 391 G HN 0.360 nan 8.290 nan 0.000 0.500 392 P HA -0.134 nan 4.420 nan 0.000 0.218 392 P C 1.100 178.465 177.300 0.108 0.000 1.146 392 P CA 1.431 64.601 63.100 0.116 0.000 0.813 392 P CB 0.131 31.904 31.700 0.123 0.000 0.778 393 N N -2.244 116.530 118.700 0.122 0.000 2.234 393 N HA 0.016 4.758 4.740 0.002 0.000 0.227 393 N C 0.173 175.753 175.510 0.117 0.000 1.151 393 N CA -0.659 52.445 53.050 0.089 0.000 0.865 393 N CB -0.449 38.077 38.487 0.065 0.000 1.066 393 N HN 0.285 nan 8.380 nan 0.000 0.515 394 H N -1.660 117.392 119.070 -0.030 0.000 2.621 394 H HA 0.573 5.131 4.556 0.002 0.000 0.360 394 H C -1.129 174.150 175.328 -0.080 0.000 1.163 394 H CA -1.069 54.944 56.048 -0.058 0.000 1.194 394 H CB 1.640 31.357 29.762 -0.074 0.000 1.649 394 H HN -0.126 nan 8.280 nan 0.000 0.532 395 E N 1.188 121.153 120.200 -0.391 0.000 2.202 395 E HA 0.377 4.728 4.350 0.002 0.000 0.272 395 E C -1.211 175.086 176.600 -0.506 0.000 0.951 395 E CA -0.422 55.730 56.400 -0.414 0.000 0.813 395 E CB 1.175 30.746 29.700 -0.215 0.000 1.151 395 E HN 0.818 nan 8.360 nan 0.000 0.398 396 H N 1.154 119.858 119.070 -0.610 0.000 2.838 396 H HA 0.371 4.928 4.556 0.002 0.000 0.269 396 H C -0.763 174.165 175.328 -0.666 0.000 1.463 396 H CA -0.122 55.512 56.048 -0.690 0.000 1.141 396 H CB -0.241 28.903 29.762 -1.029 0.000 1.821 396 H HN 0.979 nan 8.280 nan 0.000 0.544 408 G N 1.723 110.562 108.800 0.064 0.000 2.873 408 G HA2 0.510 4.471 3.960 0.002 0.000 0.340 408 G HA3 0.510 4.471 3.960 0.002 0.000 0.340 408 G C -0.528 174.422 174.900 0.084 0.000 1.171 408 G CA -0.075 45.073 45.100 0.079 0.000 1.113 408 G HN 0.652 nan 8.290 nan 0.000 0.471 409 c N 3.775 122.449 118.600 0.124 0.000 2.281 409 c HA 0.565 5.137 4.570 0.002 0.000 0.323 409 c C 0.751 174.930 174.090 0.148 0.000 1.270 409 c CA -0.843 55.556 56.329 0.116 0.000 1.559 409 c CB -0.409 42.180 42.510 0.132 0.000 2.239 409 c HN 0.806 nan 8.230 nan 0.000 0.488 415 E N 1.449 121.655 120.200 0.010 0.000 1.941 415 E HA 0.270 4.622 4.350 0.002 0.000 0.275 415 E C -0.398 176.230 176.600 0.047 0.000 1.113 415 E CA -0.549 55.804 56.400 -0.078 0.000 0.878 415 E CB 0.348 30.061 29.700 0.020 0.000 1.070 415 E HN 0.448 nan 8.360 nan 0.000 0.399 416 Y N 0.650 121.083 120.300 0.223 0.000 2.240 416 Y HA 0.547 5.098 4.550 0.002 0.000 0.341 416 Y C 0.281 176.381 175.900 0.334 0.000 1.326 416 Y CA -1.294 57.025 58.100 0.365 0.000 1.569 416 Y CB 0.526 39.315 38.460 0.548 0.000 1.426 416 Y HN 0.128 nan 8.280 nan 0.000 0.587 417 R N -0.195 120.752 120.500 0.745 0.000 2.711 417 R HA 0.635 4.977 4.340 0.002 0.000 0.284 417 R C -0.841 175.772 176.300 0.523 0.000 0.968 417 R CA -0.780 55.655 56.100 0.558 0.000 0.924 417 R CB 1.931 32.473 30.300 0.402 0.000 1.162 417 R HN 0.822 nan 8.270 nan 0.000 0.465 418 T N -0.412 114.382 114.554 0.402 0.000 2.883 418 T HA 0.417 4.769 4.350 0.002 0.000 0.296 418 T C -1.313 173.542 174.700 0.258 0.000 1.117 418 T CA -0.651 61.605 62.100 0.260 0.000 1.006 418 T CB 1.456 70.413 68.868 0.149 0.000 1.191 418 T HN 0.580 nan 8.240 nan 0.000 0.508 419 E N 0.793 121.088 120.200 0.158 0.000 2.281 419 E HA 0.655 5.007 4.350 0.002 0.000 0.257 419 E C -1.468 175.210 176.600 0.129 0.000 0.971 419 E CA -0.739 55.785 56.400 0.206 0.000 0.839 419 E CB 1.172 30.949 29.700 0.129 0.000 1.238 419 E HN 0.441 nan 8.360 nan 0.000 0.412 420 F N -0.108 119.913 119.950 0.118 0.000 2.540 420 F HA 0.190 4.718 4.527 0.002 0.000 0.317 420 F C 1.203 177.050 175.800 0.079 0.000 1.104 420 F CA -0.369 57.696 58.000 0.109 0.000 0.913 420 F CB 2.204 41.290 39.000 0.144 0.000 1.170 420 F HN 0.583 nan 8.300 nan 0.000 0.450 421 T N -3.128 111.533 114.554 0.178 0.000 3.009 421 T HA 0.021 4.372 4.350 0.002 0.000 0.258 421 T C 0.768 175.572 174.700 0.174 0.000 1.063 421 T CA 0.750 62.926 62.100 0.127 0.000 1.139 421 T CB -0.407 68.490 68.868 0.047 0.000 0.890 421 T HN 0.541 nan 8.240 nan 0.000 0.471 422 T N 1.297 115.990 114.554 0.231 0.000 2.738 422 T HA 0.751 5.102 4.350 0.002 0.000 0.298 422 T C 0.045 174.905 174.700 0.266 0.000 0.962 422 T CA -0.748 61.478 62.100 0.210 0.000 0.972 422 T CB 0.963 69.921 68.868 0.150 0.000 0.928 422 T HN 0.491 nan 8.240 nan 0.000 0.474 423 A N 4.746 127.703 122.820 0.227 0.000 2.401 423 A HA 0.543 4.864 4.320 0.002 0.000 0.259 423 A C 0.271 177.978 177.584 0.204 0.000 1.103 423 A CA -0.797 51.359 52.037 0.198 0.000 0.789 423 A CB 0.118 19.209 19.000 0.151 0.000 1.035 423 A HN 1.029 nan 8.150 nan 0.000 0.491 424 L N 2.629 123.865 121.223 0.021 0.000 2.349 424 L HA 0.484 4.825 4.340 0.002 0.000 0.275 424 L C 0.157 176.983 176.870 -0.074 0.000 1.115 424 L CA -0.130 54.506 54.840 -0.340 0.000 0.820 424 L CB 0.652 42.231 42.059 -0.800 0.000 1.135 424 L HN 0.924 nan 8.230 nan 0.000 0.445 425 Q N 4.670 124.443 119.800 -0.045 0.000 2.386 425 Q HA 0.577 4.919 4.340 0.002 0.000 0.274 425 Q C -1.710 174.230 176.000 -0.100 0.000 1.011 425 Q CA -1.179 54.636 55.803 0.020 0.000 0.867 425 Q CB 1.976 30.721 28.738 0.011 0.000 1.409 425 Q HN 0.483 nan 8.270 nan 0.000 0.395 426 R N 0.575 120.926 120.500 -0.249 0.000 3.084 426 R HA 0.764 5.106 4.340 0.002 0.000 0.234 426 R C 0.003 176.156 176.300 -0.245 0.000 1.433 426 R CA -0.655 55.236 56.100 -0.349 0.000 1.053 426 R CB 0.547 30.449 30.300 -0.662 0.000 1.449 426 R HN 0.660 nan 8.270 nan 0.000 0.505 427 V N -1.911 117.868 119.914 -0.226 0.000 2.850 427 V HA 0.371 4.492 4.120 0.002 0.000 0.315 427 V C 0.104 176.097 176.094 -0.169 0.000 1.064 427 V CA -1.081 61.128 62.300 -0.152 0.000 0.979 427 V CB 1.623 33.380 31.823 -0.109 0.000 1.039 427 V HN 0.563 nan 8.190 nan 0.000 0.452 428 D N 1.450 121.776 120.400 -0.124 0.000 2.434 428 D HA 0.099 4.741 4.640 0.002 0.000 0.252 428 D C 1.066 177.300 176.300 -0.110 0.000 1.185 428 D CA 0.372 54.306 54.000 -0.110 0.000 0.886 428 D CB 1.082 41.828 40.800 -0.090 0.000 1.148 428 D HN 0.634 nan 8.370 nan 0.000 0.483 429 L N 3.440 124.551 121.223 -0.188 0.000 2.217 429 L HA -0.101 4.240 4.340 0.002 0.000 0.211 429 L C 1.561 178.219 176.870 -0.354 0.000 1.107 429 L CA 0.635 55.276 54.840 -0.333 0.000 0.783 429 L CB -0.264 41.494 42.059 -0.501 0.000 0.919 429 L HN 0.415 nan 8.230 nan 0.000 0.442 430 F N -0.429 119.546 119.950 0.043 0.000 2.731 430 F HA 0.152 4.680 4.527 0.002 0.000 0.304 430 F C 1.222 177.018 175.800 -0.007 0.000 1.133 430 F CA -0.148 57.893 58.000 0.067 0.000 1.380 430 F CB -0.406 38.753 39.000 0.265 0.000 1.079 430 F HN -0.024 nan 8.300 nan 0.000 0.550 431 M N 0.062 119.713 119.600 0.086 0.000 2.703 431 M HA -0.268 4.213 4.480 0.002 0.000 0.186 431 M C 1.153 177.491 176.300 0.064 0.000 0.582 431 M CA 1.110 56.437 55.300 0.046 0.000 0.578 431 M CB -2.261 30.353 32.600 0.023 0.000 2.115 431 M HN 0.455 nan 8.290 nan 0.000 0.611 432 G N 0.717 109.581 108.800 0.108 0.000 2.225 432 G HA2 -0.310 3.651 3.960 0.002 0.000 0.264 432 G HA3 -0.310 3.651 3.960 0.002 0.000 0.264 432 G C 0.277 175.192 174.900 0.025 0.000 1.060 432 G CA 0.658 45.816 45.100 0.097 0.000 0.833 432 G HN 0.734 nan 8.290 nan 0.000 0.498 433 Q N -1.068 118.683 119.800 -0.081 0.000 2.234 433 Q HA -0.005 4.336 4.340 0.002 0.000 0.206 433 Q C 1.082 176.764 176.000 -0.530 0.000 0.980 433 Q CA 1.157 56.730 55.803 -0.384 0.000 0.869 433 Q CB -0.091 28.254 28.738 -0.654 0.000 0.912 433 Q HN 0.698 nan 8.270 nan 0.000 0.436 434 F N -0.025 119.891 119.950 -0.057 0.000 2.986 434 F HA 0.237 4.766 4.527 0.002 0.000 0.297 434 F C 1.601 177.399 175.800 -0.004 0.000 1.210 434 F CA -0.218 57.735 58.000 -0.078 0.000 1.346 434 F CB 0.235 39.134 39.000 -0.168 0.000 1.007 434 F HN -0.024 nan 8.300 nan 0.000 0.512 435 S N 0.318 116.089 115.700 0.118 0.000 2.402 435 S HA -0.095 4.376 4.470 0.002 0.000 0.229 435 S C 1.340 176.022 174.600 0.137 0.000 1.021 435 S CA 1.305 59.600 58.200 0.158 0.000 0.974 435 S CB -0.002 63.269 63.200 0.117 0.000 0.800 435 S HN 0.282 nan 8.310 nan 0.000 0.484 436 E N 1.018 121.271 120.200 0.089 0.000 3.269 436 E HA 0.404 4.755 4.350 0.002 0.000 0.221 436 E C -1.217 175.424 176.600 0.067 0.000 1.113 436 E CA -0.072 56.370 56.400 0.069 0.000 1.385 436 E CB 0.842 30.566 29.700 0.040 0.000 1.345 436 E HN 0.249 nan 8.360 nan 0.000 0.435 437 V N 0.613 120.584 119.914 0.095 0.000 3.048 437 V HA 0.359 4.480 4.120 0.002 0.000 0.303 437 V C -1.488 174.645 176.094 0.065 0.000 1.214 437 V CA -0.845 61.501 62.300 0.076 0.000 0.984 437 V CB 2.604 34.486 31.823 0.098 0.000 1.054 437 V HN 0.306 nan 8.190 nan 0.000 0.430 438 L N 6.355 127.594 121.223 0.027 0.000 2.259 438 L HA 0.563 4.904 4.340 0.002 0.000 0.288 438 L C -0.717 176.130 176.870 -0.039 0.000 1.051 438 L CA -0.460 54.386 54.840 0.011 0.000 0.824 438 L CB 0.776 42.841 42.059 0.011 0.000 1.206 438 L HN 0.614 nan 8.230 nan 0.000 0.429 439 L N 4.388 125.567 121.223 -0.074 0.000 2.331 439 L HA 0.306 4.647 4.340 0.002 0.000 0.278 439 L C 1.252 178.063 176.870 -0.098 0.000 1.106 439 L CA -0.120 54.629 54.840 -0.150 0.000 0.824 439 L CB 1.325 43.223 42.059 -0.268 0.000 1.142 439 L HN 0.659 nan 8.230 nan 0.000 0.443 440 T N -2.929 111.567 114.554 -0.096 0.000 2.987 440 T HA 0.082 4.433 4.350 0.002 0.000 0.248 440 T C 0.655 175.324 174.700 -0.052 0.000 0.997 440 T CA 0.054 62.121 62.100 -0.054 0.000 1.013 440 T CB 0.533 69.384 68.868 -0.029 0.000 1.077 440 T HN 0.449 nan 8.240 nan 0.000 0.483 441 S N 0.394 116.047 115.700 -0.077 0.000 2.566 441 S HA 0.757 5.228 4.470 0.002 0.000 0.298 441 S C -1.431 173.099 174.600 -0.116 0.000 1.083 441 S CA -0.801 57.360 58.200 -0.066 0.000 0.978 441 S CB 1.542 64.727 63.200 -0.025 0.000 1.073 441 S HN 0.369 nan 8.310 nan 0.000 0.491 442 I N 2.708 123.216 120.570 -0.104 0.000 2.610 442 I HA 0.508 4.680 4.170 0.002 0.000 0.289 442 I C -1.468 174.530 176.117 -0.199 0.000 1.163 442 I CA -0.077 61.144 61.300 -0.131 0.000 1.044 442 I CB 1.847 39.808 38.000 -0.066 0.000 1.251 442 I HN 0.801 nan 8.210 nan 0.000 0.424 443 S N 4.393 119.923 115.700 -0.284 0.000 2.541 443 S HA 0.701 5.172 4.470 0.002 0.000 0.280 443 S C -0.701 173.686 174.600 -0.355 0.000 1.112 443 S CA -0.588 57.281 58.200 -0.551 0.000 0.925 443 S CB 2.268 65.227 63.200 -0.403 0.000 1.067 443 S HN 0.596 nan 8.310 nan 0.000 0.479 444 T N 3.242 117.636 114.554 -0.266 0.000 2.879 444 T HA 0.698 5.049 4.350 0.002 0.000 0.290 444 T C -0.901 173.859 174.700 0.100 0.000 0.993 444 T CA -0.562 61.428 62.100 -0.184 0.000 0.975 444 T CB 0.284 68.877 68.868 -0.459 0.000 0.981 444 T HN 0.537 nan 8.240 nan 0.000 0.439 445 F N 1.006 120.962 119.950 0.010 0.000 2.640 445 F HA 0.885 5.413 4.527 0.002 0.000 0.324 445 F C -1.371 174.476 175.800 0.078 0.000 1.077 445 F CA -1.728 56.336 58.000 0.107 0.000 0.965 445 F CB 1.175 40.220 39.000 0.075 0.000 1.351 445 F HN 0.315 nan 8.300 nan 0.000 0.487 446 I N 1.800 122.586 120.570 0.361 0.000 2.418 446 I HA 0.366 4.537 4.170 0.002 0.000 0.287 446 I C -0.939 175.330 176.117 0.252 0.000 1.008 446 I CA -0.796 60.625 61.300 0.202 0.000 1.104 446 I CB 2.005 40.073 38.000 0.114 0.000 1.264 446 I HN 0.586 nan 8.210 nan 0.000 0.438 447 K N 5.470 125.992 120.400 0.203 0.000 2.423 447 K HA 0.536 4.857 4.320 0.002 0.000 0.234 447 K C 0.520 177.183 176.600 0.105 0.000 1.051 447 K CA -0.141 56.183 56.287 0.063 0.000 1.021 447 K CB 1.417 33.779 32.500 -0.231 0.000 1.474 447 K HN 0.959 nan 8.250 nan 0.000 0.474 448 G N 2.915 111.766 108.800 0.085 0.000 2.588 448 G HA2 -0.329 3.632 3.960 0.002 0.000 0.273 448 G HA3 -0.329 3.632 3.960 0.002 0.000 0.273 448 G C 0.352 175.302 174.900 0.083 0.000 1.211 448 G CA 0.299 45.455 45.100 0.093 0.000 0.958 448 G HN 0.543 nan 8.290 nan 0.000 0.543 449 D N 0.948 121.404 120.400 0.092 0.000 2.338 449 D HA 0.238 4.880 4.640 0.002 0.000 0.208 449 D C 1.483 177.826 176.300 0.070 0.000 0.997 449 D CA 0.225 54.266 54.000 0.068 0.000 0.880 449 D CB -0.027 40.807 40.800 0.057 0.000 0.980 449 D HN 0.490 nan 8.370 nan 0.000 0.509 450 L N 1.163 122.448 121.223 0.104 0.000 2.453 450 L HA 0.159 4.500 4.340 0.002 0.000 0.272 450 L C 0.190 177.091 176.870 0.051 0.000 1.182 450 L CA 0.383 55.282 54.840 0.099 0.000 0.858 450 L CB 0.356 42.524 42.059 0.182 0.000 1.120 450 L HN -0.170 nan 8.230 nan 0.000 0.474 451 T N 3.422 117.971 114.554 -0.008 0.000 3.375 451 T HA 0.443 4.795 4.350 0.002 0.000 0.363 451 T C 0.040 174.607 174.700 -0.221 0.000 1.837 451 T CA -0.474 61.566 62.100 -0.100 0.000 1.445 451 T CB -0.432 68.401 68.868 -0.059 0.000 1.089 451 T HN 0.169 nan 8.240 nan 0.000 0.722 452 I N 2.538 122.899 120.570 -0.349 0.000 2.556 452 I HA 0.455 4.626 4.170 0.002 0.000 0.284 452 I C 0.602 176.260 176.117 -0.765 0.000 1.114 452 I CA 0.004 61.039 61.300 -0.443 0.000 1.418 452 I CB 0.536 38.336 38.000 -0.335 0.000 1.394 452 I HN 0.519 nan 8.210 nan 0.000 0.552 453 A N 6.860 129.430 122.820 -0.416 0.000 2.357 453 A HA 0.504 4.825 4.320 0.002 0.000 0.295 453 A C -0.513 176.911 177.584 -0.267 0.000 1.121 453 A CA -0.914 50.894 52.037 -0.382 0.000 0.742 453 A CB 0.421 19.213 19.000 -0.347 0.000 1.181 453 A HN 0.778 nan 8.150 nan 0.000 0.454 454 N N 3.038 121.605 118.700 -0.222 0.000 2.529 454 N HA 0.550 5.292 4.740 0.002 0.000 0.278 454 N C -0.825 174.443 175.510 -0.403 0.000 1.146 454 N CA -0.215 52.622 53.050 -0.355 0.000 0.980 454 N CB 1.348 39.693 38.487 -0.236 0.000 1.124 454 N HN 0.501 nan 8.380 nan 0.000 0.458 455 L N 0.170 121.044 121.223 -0.581 0.000 2.323 455 L HA 0.688 5.029 4.340 0.002 0.000 0.265 455 L C 0.618 177.259 176.870 -0.382 0.000 1.012 455 L CA -1.132 53.444 54.840 -0.439 0.000 0.820 455 L CB 2.029 43.773 42.059 -0.525 0.000 1.334 455 L HN 0.628 nan 8.230 nan 0.000 0.427 456 G N -0.417 108.252 108.800 -0.219 0.000 2.511 456 G HA2 0.762 4.724 3.960 0.002 0.000 0.318 456 G HA3 0.762 4.724 3.960 0.002 0.000 0.318 456 G C -1.150 173.668 174.900 -0.135 0.000 1.210 456 G CA -0.305 44.724 45.100 -0.117 0.000 0.969 456 G HN 0.451 nan 8.290 nan 0.000 0.484 457 T N -0.698 113.802 114.554 -0.090 0.000 2.906 457 T HA 0.371 4.723 4.350 0.002 0.000 0.295 457 T C 1.307 175.980 174.700 -0.046 0.000 1.075 457 T CA 0.058 62.111 62.100 -0.078 0.000 1.005 457 T CB 1.640 70.463 68.868 -0.075 0.000 1.136 457 T HN 0.738 nan 8.240 nan 0.000 0.498 458 S N 0.006 115.682 115.700 -0.040 0.000 2.653 458 S HA 0.001 4.472 4.470 0.002 0.000 0.233 458 S C 0.578 175.154 174.600 -0.040 0.000 0.970 458 S CA 0.625 58.801 58.200 -0.040 0.000 0.947 458 S CB -0.426 62.755 63.200 -0.032 0.000 0.771 458 S HN 0.763 nan 8.310 nan 0.000 0.538 459 E N -0.289 119.893 120.200 -0.031 0.000 2.846 459 E HA 0.379 4.730 4.350 0.002 0.000 0.211 459 E C 0.877 177.470 176.600 -0.012 0.000 0.975 459 E CA 0.082 56.469 56.400 -0.021 0.000 1.211 459 E CB 0.764 30.455 29.700 -0.014 0.000 1.052 459 E HN 0.443 nan 8.360 nan 0.000 0.487 460 G N 2.076 110.869 108.800 -0.011 0.000 2.162 460 G HA2 -0.349 3.613 3.960 0.002 0.000 0.260 460 G HA3 -0.349 3.613 3.960 0.002 0.000 0.260 460 G C 0.193 175.062 174.900 -0.051 0.000 0.976 460 G CA -0.155 44.944 45.100 -0.001 0.000 0.655 460 G HN 0.160 nan 8.290 nan 0.000 0.533 461 R N -0.201 120.255 120.500 -0.073 0.000 2.351 461 R HA 0.412 4.753 4.340 0.002 0.000 0.318 461 R C -0.212 175.975 176.300 -0.187 0.000 1.055 461 R CA -0.135 55.883 56.100 -0.137 0.000 0.968 461 R CB 0.279 30.521 30.300 -0.096 0.000 0.974 461 R HN 0.268 nan 8.270 nan 0.000 0.439 462 F N 5.088 124.708 119.950 -0.550 0.000 2.425 462 F HA 0.530 5.059 4.527 0.002 0.000 0.331 462 F C -0.221 175.298 175.800 -0.468 0.000 1.085 462 F CA -0.809 56.865 58.000 -0.543 0.000 1.028 462 F CB 1.133 39.707 39.000 -0.709 0.000 1.177 462 F HN 0.408 nan 8.300 nan 0.000 0.487 463 M N 4.016 122.954 119.600 -1.103 0.000 2.389 463 M HA 0.344 4.825 4.480 0.002 0.000 0.291 463 M C -2.216 173.641 176.300 -0.738 0.000 1.128 463 M CA -0.813 54.099 55.300 -0.646 0.000 0.942 463 M CB 2.076 34.486 32.600 -0.317 0.000 1.783 463 M HN 0.571 nan 8.290 nan 0.000 0.501 464 Q N 2.326 121.850 119.800 -0.461 0.000 2.398 464 Q HA 0.632 4.973 4.340 0.002 0.000 0.251 464 Q C -1.107 174.655 176.000 -0.397 0.000 0.999 464 Q CA -0.640 54.952 55.803 -0.352 0.000 0.874 464 Q CB 2.449 31.135 28.738 -0.088 0.000 1.215 464 Q HN 0.582 nan 8.270 nan 0.000 0.470 465 V N 3.227 123.049 119.914 -0.153 0.000 2.435 465 V HA 0.236 4.357 4.120 0.002 0.000 0.290 465 V C 0.055 176.263 176.094 0.189 0.000 1.030 465 V CA -0.856 61.476 62.300 0.054 0.000 0.881 465 V CB 1.908 33.803 31.823 0.120 0.000 0.983 465 V HN 0.496 nan 8.190 nan 0.000 0.445 466 V N 5.819 125.904 119.914 0.285 0.000 2.403 466 V HA 0.094 4.215 4.120 0.002 0.000 0.265 466 V C 0.380 176.571 176.094 0.161 0.000 1.034 466 V CA -0.254 62.169 62.300 0.206 0.000 1.036 466 V CB 0.684 32.619 31.823 0.187 0.000 1.032 466 V HN 0.583 nan 8.190 nan 0.000 0.478 467 V N 5.109 125.065 119.914 0.070 0.000 2.521 467 V HA 0.446 4.568 4.120 0.002 0.000 0.286 467 V C 0.487 176.540 176.094 -0.069 0.000 1.034 467 V CA 0.721 62.997 62.300 -0.040 0.000 1.045 467 V CB 1.088 32.832 31.823 -0.131 0.000 0.974 467 V HN 1.010 nan 8.190 nan 0.000 0.480 468 S N 4.227 119.852 115.700 -0.125 0.000 2.578 468 S HA 0.359 4.830 4.470 0.002 0.000 0.285 468 S C 0.536 175.064 174.600 -0.121 0.000 1.126 468 S CA -0.792 57.354 58.200 -0.090 0.000 0.878 468 S CB 1.437 64.621 63.200 -0.027 0.000 1.091 468 S HN 0.661 nan 8.310 nan 0.000 0.450 469 R N 1.748 122.182 120.500 -0.110 0.000 2.092 469 R HA -0.021 4.320 4.340 0.002 0.000 0.231 469 R C 1.996 178.257 176.300 -0.065 0.000 1.119 469 R CA 1.763 57.800 56.100 -0.106 0.000 0.970 469 R CB -1.039 29.203 30.300 -0.098 0.000 0.864 469 R HN 0.653 nan 8.270 nan 0.000 0.440 470 S N -0.218 115.455 115.700 -0.045 0.000 2.462 470 S HA -0.099 4.372 4.470 0.002 0.000 0.219 470 S C 1.242 175.835 174.600 -0.012 0.000 1.048 470 S CA 1.455 59.640 58.200 -0.025 0.000 1.119 470 S CB -0.453 62.737 63.200 -0.015 0.000 1.100 470 S HN 0.514 nan 8.310 nan 0.000 0.411 471 G N 1.417 110.220 108.800 0.004 0.000 2.513 471 G HA2 0.552 4.514 3.960 0.002 0.000 0.317 471 G HA3 0.552 4.514 3.960 0.002 0.000 0.317 471 G C -3.258 171.670 174.900 0.046 0.000 1.277 471 G CA -1.541 43.572 45.100 0.021 0.000 0.955 471 G HN 0.069 nan 8.290 nan 0.000 0.484 472 P HA 0.185 nan 4.420 nan 0.000 0.256 472 P C 0.247 177.606 177.300 0.098 0.000 1.688 472 P CA -0.221 62.949 63.100 0.117 0.000 1.162 472 P CB 0.400 32.137 31.700 0.063 0.000 1.870 473 S N 1.477 117.256 115.700 0.132 0.000 2.552 473 S HA 0.044 4.515 4.470 0.002 0.000 0.289 473 S C 0.768 175.436 174.600 0.113 0.000 1.304 473 S CA 0.252 58.526 58.200 0.124 0.000 1.063 473 S CB -0.232 63.059 63.200 0.151 0.000 0.848 473 S HN 0.328 nan 8.310 nan 0.000 0.499 474 T N 5.879 120.483 114.554 0.083 0.000 2.940 474 T HA 0.127 4.478 4.350 0.002 0.000 0.309 474 T C -2.292 172.469 174.700 0.102 0.000 1.056 474 T CA -0.587 61.547 62.100 0.057 0.000 1.137 474 T CB 0.060 68.956 68.868 0.046 0.000 0.976 474 T HN 0.320 nan 8.240 nan 0.000 0.547 475 P HA 0.022 nan 4.420 nan 0.000 0.259 475 P C 0.965 178.285 177.300 0.033 0.000 1.211 475 P CA -0.040 63.047 63.100 -0.021 0.000 0.810 475 P CB -0.012 31.663 31.700 -0.043 0.000 0.815 476 H N 1.466 120.643 119.070 0.178 0.000 2.561 476 H HA 0.055 4.613 4.556 0.002 0.000 0.278 476 H C -0.055 175.453 175.328 0.299 0.000 1.014 476 H CA 0.273 56.484 56.048 0.271 0.000 1.211 476 H CB -0.056 29.882 29.762 0.292 0.000 1.365 476 H HN 0.088 nan 8.280 nan 0.000 0.594 477 V N 1.839 121.761 119.914 0.014 0.000 2.569 477 V HA 0.277 4.398 4.120 0.002 0.000 0.301 477 V C -0.721 175.480 176.094 0.178 0.000 1.044 477 V CA -0.904 61.521 62.300 0.208 0.000 0.874 477 V CB 1.822 33.798 31.823 0.255 0.000 1.002 477 V HN 0.302 nan 8.190 nan 0.000 0.424 478 N N 4.610 123.494 118.700 0.307 0.000 2.455 478 N HA 0.747 5.488 4.740 0.002 0.000 0.285 478 N C -1.097 174.630 175.510 0.361 0.000 1.080 478 N CA -0.407 52.766 53.050 0.205 0.000 0.932 478 N CB 2.094 40.634 38.487 0.087 0.000 1.610 478 N HN 0.590 nan 8.380 nan 0.000 0.493 479 F N 0.449 120.458 119.950 0.098 0.000 3.194 479 F HA 0.593 5.121 4.527 0.002 0.000 0.327 479 F C -2.085 173.765 175.800 0.083 0.000 1.141 479 F CA -1.161 56.887 58.000 0.081 0.000 0.862 479 F CB 1.078 40.121 39.000 0.073 0.000 1.447 479 F HN 0.119 nan 8.300 nan 0.000 0.479 480 L N 2.227 123.593 121.223 0.239 0.000 2.341 480 L HA 0.475 4.817 4.340 0.002 0.000 0.278 480 L C 0.194 177.198 176.870 0.224 0.000 1.005 480 L CA -0.709 54.192 54.840 0.101 0.000 0.818 480 L CB 1.894 44.010 42.059 0.095 0.000 1.259 480 L HN 0.778 nan 8.230 nan 0.000 0.418 481 L N 1.519 122.801 121.223 0.099 0.000 2.062 481 L HA 0.066 4.407 4.340 0.002 0.000 0.202 481 L C 0.090 177.014 176.870 0.090 0.000 1.079 481 L CA 1.092 56.013 54.840 0.136 0.000 0.755 481 L CB 0.078 42.180 42.059 0.071 0.000 0.913 481 L HN 0.784 nan 8.230 nan 0.000 0.445 482 D N -4.150 116.291 120.400 0.069 0.000 2.713 482 D HA 0.019 4.660 4.640 0.002 0.000 0.306 482 D C 0.283 176.624 176.300 0.069 0.000 1.299 482 D CA 0.113 54.152 54.000 0.065 0.000 0.823 482 D CB 0.561 41.395 40.800 0.057 0.000 1.353 482 D HN -0.074 nan 8.370 nan 0.000 0.447 483 S N -1.896 113.844 115.700 0.067 0.000 2.507 483 S HA -0.137 4.334 4.470 0.002 0.000 0.235 483 S C 0.746 175.381 174.600 0.058 0.000 0.988 483 S CA 0.419 58.649 58.200 0.051 0.000 0.944 483 S CB -0.759 62.466 63.200 0.041 0.000 0.762 483 S HN 0.606 nan 8.310 nan 0.000 0.526 484 H N 3.341 122.416 119.070 0.007 0.000 2.668 484 H HA 0.356 4.914 4.556 0.002 0.000 0.303 484 H C -2.827 172.505 175.328 0.007 0.000 1.074 484 H CA -2.081 53.972 56.048 0.009 0.000 1.406 484 H CB 0.786 30.554 29.762 0.010 0.000 1.442 484 H HN 0.110 nan 8.280 nan 0.000 0.482 485 P HA -0.130 nan 4.420 nan 0.000 0.264 485 P C -0.198 177.154 177.300 0.087 0.000 1.179 485 P CA 0.034 63.117 63.100 -0.027 0.000 0.763 485 P CB 0.609 32.248 31.700 -0.102 0.000 0.806 486 V N 2.591 122.539 119.914 0.056 0.000 2.872 486 V HA 0.069 4.191 4.120 0.002 0.000 0.307 486 V C 0.959 177.097 176.094 0.074 0.000 1.072 486 V CA 0.327 62.670 62.300 0.073 0.000 1.148 486 V CB 0.386 32.237 31.823 0.047 0.000 0.954 486 V HN 0.710 nan 8.190 nan 0.000 0.490 487 S N 4.394 120.147 115.700 0.089 0.000 2.554 487 S HA 0.414 4.885 4.470 0.002 0.000 0.278 487 S C -1.919 172.718 174.600 0.062 0.000 1.242 487 S CA -1.414 56.837 58.200 0.085 0.000 1.051 487 S CB 1.571 64.833 63.200 0.102 0.000 0.986 487 S HN 0.541 nan 8.310 nan 0.000 0.502 488 P HA 0.020 nan 4.420 nan 0.000 0.225 488 P C -0.085 177.253 177.300 0.064 0.000 1.148 488 P CA 0.778 63.903 63.100 0.043 0.000 0.779 488 P CB 0.034 31.765 31.700 0.051 0.000 0.780 489 E N 0.757 121.009 120.200 0.086 0.000 2.265 489 E HA 0.201 4.552 4.350 0.002 0.000 0.272 489 E C 0.001 176.648 176.600 0.079 0.000 1.067 489 E CA 0.133 56.594 56.400 0.102 0.000 0.900 489 E CB 0.654 30.422 29.700 0.114 0.000 1.017 489 E HN -0.002 nan 8.360 nan 0.000 0.431 490 V N 0.849 120.804 119.914 0.068 0.000 3.087 490 V HA 0.522 4.643 4.120 0.002 0.000 0.306 490 V C -0.448 175.662 176.094 0.027 0.000 1.187 490 V CA -1.099 61.218 62.300 0.029 0.000 0.999 490 V CB 2.514 34.318 31.823 -0.031 0.000 1.049 490 V HN 0.348 nan 8.190 nan 0.000 0.431 491 I N 2.239 122.814 120.570 0.009 0.000 2.474 491 I HA 0.586 4.757 4.170 0.002 0.000 0.294 491 I C -0.666 175.385 176.117 -0.111 0.000 1.005 491 I CA -0.695 60.604 61.300 -0.002 0.000 1.113 491 I CB 2.186 40.206 38.000 0.034 0.000 1.289 491 I HN 0.540 nan 8.210 nan 0.000 0.436 492 V N 6.118 125.969 119.914 -0.106 0.000 2.350 492 V HA 0.375 4.496 4.120 0.002 0.000 0.285 492 V C -0.008 175.930 176.094 -0.261 0.000 1.014 492 V CA -0.609 61.572 62.300 -0.198 0.000 0.831 492 V CB 1.749 33.537 31.823 -0.059 0.000 1.000 492 V HN 0.571 nan 8.190 nan 0.000 0.433 493 E N 3.488 123.341 120.200 -0.577 0.000 2.171 493 E HA 0.420 4.771 4.350 0.002 0.000 0.271 493 E C -1.182 175.112 176.600 -0.510 0.000 0.916 493 E CA -0.605 55.468 56.400 -0.546 0.000 0.774 493 E CB 1.321 30.477 29.700 -0.908 0.000 1.128 493 E HN 0.622 nan 8.360 nan 0.000 0.403 494 H N 2.063 121.040 119.070 -0.154 0.000 2.481 494 H HA 0.354 4.911 4.556 0.002 0.000 0.333 494 H C 0.003 175.308 175.328 -0.038 0.000 1.066 494 H CA -0.210 55.783 56.048 -0.091 0.000 1.209 494 H CB 1.497 31.230 29.762 -0.049 0.000 1.445 494 H HN 0.479 nan 8.280 nan 0.000 0.488 495 T N 0.089 114.696 114.554 0.088 0.000 2.927 495 T HA 0.315 4.667 4.350 0.002 0.000 0.286 495 T C 0.156 174.895 174.700 0.065 0.000 1.040 495 T CA -1.068 61.079 62.100 0.078 0.000 1.010 495 T CB 1.616 70.530 68.868 0.076 0.000 1.177 495 T HN 0.197 nan 8.240 nan 0.000 0.546 496 L N 2.192 123.443 121.223 0.047 0.000 2.485 496 L HA 0.234 4.575 4.340 0.002 0.000 0.275 496 L C 0.489 177.374 176.870 0.025 0.000 1.207 496 L CA 0.872 55.731 54.840 0.032 0.000 0.855 496 L CB -0.874 41.199 42.059 0.024 0.000 1.114 496 L HN 0.837 nan 8.230 nan 0.000 0.485 497 N N 2.739 121.452 118.700 0.021 0.000 2.753 497 N HA -0.250 4.491 4.740 0.002 0.000 0.251 497 N C -0.525 174.992 175.510 0.011 0.000 1.097 497 N CA 1.235 54.294 53.050 0.016 0.000 0.786 497 N CB -1.311 37.185 38.487 0.014 0.000 1.137 497 N HN 0.815 nan 8.380 nan 0.000 0.566 498 Q N -1.837 117.977 119.800 0.022 0.000 2.398 498 Q HA -0.224 4.118 4.340 0.002 0.000 0.355 498 Q C 0.242 176.221 176.000 -0.034 0.000 1.334 498 Q CA 0.626 56.437 55.803 0.013 0.000 0.993 498 Q CB -0.395 28.337 28.738 -0.009 0.000 1.112 498 Q HN 0.450 nan 8.270 nan 0.000 0.305 499 N N 0.528 119.213 118.700 -0.026 0.000 2.513 499 N HA 0.165 4.906 4.740 0.002 0.000 0.196 499 N C 0.941 176.398 175.510 -0.088 0.000 1.041 499 N CA 1.320 54.348 53.050 -0.037 0.000 0.916 499 N CB 0.025 38.514 38.487 0.004 0.000 1.172 499 N HN 0.709 nan 8.380 nan 0.000 0.444 500 G N 0.731 109.481 108.800 -0.083 0.000 2.916 500 G HA2 -0.129 3.832 3.960 0.002 0.000 0.533 500 G HA3 -0.129 3.832 3.960 0.002 0.000 0.533 500 G C -1.027 173.836 174.900 -0.062 0.000 1.516 500 G CA 0.166 45.123 45.100 -0.237 0.000 0.944 500 G HN 0.624 nan 8.290 nan 0.000 0.555 501 Y N -3.539 116.596 120.300 -0.275 0.000 2.527 501 Y HA 0.633 5.184 4.550 0.002 0.000 0.328 501 Y C -0.377 175.429 175.900 -0.158 0.000 1.216 501 Y CA -0.779 57.204 58.100 -0.194 0.000 1.152 501 Y CB 0.293 38.669 38.460 -0.140 0.000 1.342 501 Y HN 0.823 nan 8.280 nan 0.000 0.465 502 T N 4.762 119.306 114.554 -0.015 0.000 2.794 502 T HA 0.523 4.874 4.350 0.002 0.000 0.280 502 T C -0.401 174.343 174.700 0.073 0.000 0.987 502 T CA -0.661 61.424 62.100 -0.024 0.000 0.993 502 T CB 0.861 69.756 68.868 0.044 0.000 0.939 502 T HN 0.631 nan 8.240 nan 0.000 0.449 503 L N 3.987 125.257 121.223 0.079 0.000 2.295 503 L HA 0.412 4.753 4.340 0.002 0.000 0.288 503 L C -0.327 176.573 176.870 0.050 0.000 1.079 503 L CA -0.667 54.228 54.840 0.092 0.000 0.830 503 L CB 0.457 42.591 42.059 0.125 0.000 1.200 503 L HN 0.320 nan 8.230 nan 0.000 0.438 504 V N 5.138 125.063 119.914 0.018 0.000 2.472 504 V HA 0.444 4.565 4.120 0.002 0.000 0.290 504 V C 0.273 176.386 176.094 0.031 0.000 1.037 504 V CA -0.423 61.892 62.300 0.026 0.000 0.908 504 V CB 2.035 33.856 31.823 -0.004 0.000 0.985 504 V HN 0.473 nan 8.190 nan 0.000 0.454 505 I N 3.764 124.366 120.570 0.054 0.000 2.412 505 I HA 0.578 4.750 4.170 0.002 0.000 0.296 505 I C 0.052 176.203 176.117 0.057 0.000 0.987 505 I CA -0.337 60.995 61.300 0.052 0.000 1.180 505 I CB 2.060 40.102 38.000 0.069 0.000 1.340 505 I HN 0.688 nan 8.210 nan 0.000 0.455 506 T N 1.504 116.075 114.554 0.028 0.000 3.305 506 T HA 0.615 4.967 4.350 0.002 0.000 0.348 506 T C 0.435 175.049 174.700 -0.144 0.000 1.394 506 T CA -0.169 61.966 62.100 0.057 0.000 1.549 506 T CB 0.899 69.810 68.868 0.072 0.000 0.962 506 T HN 1.183 nan 8.240 nan 0.000 0.609 507 G N 3.707 112.298 108.800 -0.347 0.000 3.487 507 G HA2 -0.335 3.627 3.960 0.002 0.000 0.295 507 G HA3 -0.335 3.627 3.960 0.002 0.000 0.295 507 G C 0.769 175.487 174.900 -0.303 0.000 1.454 507 G CA 0.433 45.031 45.100 -0.837 0.000 1.039 507 G HN 0.642 nan 8.290 nan 0.000 0.624 508 K N 0.595 120.848 120.400 -0.245 0.000 2.365 508 K HA 0.220 4.541 4.320 0.002 0.000 0.195 508 K C 1.097 177.620 176.600 -0.128 0.000 1.079 508 K CA 0.114 56.313 56.287 -0.146 0.000 0.979 508 K CB 0.493 32.896 32.500 -0.161 0.000 0.929 508 K HN 0.272 nan 8.250 nan 0.000 0.523 509 K N 2.762 123.088 120.400 -0.124 0.000 2.310 509 K HA 0.164 4.485 4.320 0.002 0.000 0.290 509 K C -1.030 175.561 176.600 -0.017 0.000 1.077 509 K CA -0.071 56.164 56.287 -0.086 0.000 0.922 509 K CB 0.394 32.847 32.500 -0.078 0.000 1.057 509 K HN 0.092 nan 8.250 nan 0.000 0.479 510 I N 4.378 124.973 120.570 0.041 0.000 2.330 510 I HA 0.193 4.364 4.170 0.002 0.000 0.289 510 I C -0.753 175.394 176.117 0.049 0.000 1.001 510 I CA -0.221 61.116 61.300 0.062 0.000 1.193 510 I CB 1.310 39.372 38.000 0.103 0.000 1.345 510 I HN 0.502 nan 8.210 nan 0.000 0.461 511 T N 6.064 120.621 114.554 0.005 0.000 2.902 511 T HA 0.278 4.629 4.350 0.002 0.000 0.283 511 T C -0.335 174.338 174.700 -0.045 0.000 1.009 511 T CA -0.762 61.321 62.100 -0.028 0.000 1.051 511 T CB 1.457 70.293 68.868 -0.052 0.000 0.999 511 T HN 0.516 nan 8.240 nan 0.000 0.474 512 K N 3.099 123.458 120.400 -0.069 0.000 2.299 512 K HA 0.421 4.742 4.320 0.002 0.000 0.268 512 K C -0.956 175.585 176.600 -0.097 0.000 1.075 512 K CA -0.454 55.786 56.287 -0.078 0.000 0.936 512 K CB -0.023 32.367 32.500 -0.183 0.000 1.228 512 K HN 0.565 nan 8.250 nan 0.000 0.454 513 I N 6.414 126.942 120.570 -0.071 0.000 2.354 513 I HA 0.322 4.494 4.170 0.002 0.000 0.292 513 I C -2.186 173.929 176.117 -0.003 0.000 0.989 513 I CA -2.886 58.352 61.300 -0.104 0.000 1.188 513 I CB 1.656 39.492 38.000 -0.274 0.000 1.342 513 I HN 0.437 nan 8.210 nan 0.000 0.457 514 P HA 0.200 nan 4.420 nan 0.000 0.274 514 P C 0.483 177.775 177.300 -0.014 0.000 1.231 514 P CA -0.326 62.772 63.100 -0.003 0.000 0.790 514 P CB 0.826 32.513 31.700 -0.021 0.000 0.951 515 L N 0.769 121.905 121.223 -0.145 0.000 2.341 515 L HA 0.018 4.360 4.340 0.002 0.000 0.214 515 L C 1.178 178.027 176.870 -0.035 0.000 1.115 515 L CA 0.827 55.488 54.840 -0.298 0.000 0.820 515 L CB -0.738 40.740 42.059 -0.967 0.000 0.944 515 L HN 0.301 nan 8.230 nan 0.000 0.452 516 N N 1.037 119.740 118.700 0.005 0.000 2.571 516 N HA 0.070 4.811 4.740 0.002 0.000 0.189 516 N C 0.941 176.640 175.510 0.316 0.000 1.154 516 N CA 0.836 53.981 53.050 0.159 0.000 0.907 516 N CB -0.081 38.465 38.487 0.097 0.000 0.977 516 N HN 0.383 nan 8.380 nan 0.000 0.449 517 G N 0.127 109.092 108.800 0.275 0.000 2.814 517 G HA2 -0.215 3.746 3.960 0.002 0.000 0.677 517 G HA3 -0.215 3.746 3.960 0.002 0.000 0.677 517 G C -0.331 174.606 174.900 0.063 0.000 1.429 517 G CA -0.731 44.530 45.100 0.268 0.000 0.868 517 G HN 0.124 nan 8.290 nan 0.000 0.553 518 L N 2.312 123.420 121.223 -0.190 0.000 2.922 518 L HA 0.436 4.777 4.340 0.002 0.000 0.244 518 L C 1.944 178.692 176.870 -0.203 0.000 1.324 518 L CA 1.483 56.067 54.840 -0.427 0.000 1.172 518 L CB -1.782 39.685 42.059 -0.987 0.000 1.545 518 L HN 2.353 nan 8.230 nan 0.000 0.438 519 G N -0.126 108.703 108.800 0.050 0.000 2.598 519 G HA2 -0.295 3.666 3.960 0.002 0.000 0.244 519 G HA3 -0.295 3.666 3.960 0.002 0.000 0.244 519 G C 0.562 175.654 174.900 0.320 0.000 1.302 519 G CA -0.216 44.981 45.100 0.163 0.000 0.903 519 G HN 0.334 nan 8.290 nan 0.000 0.575 520 c N 0.414 119.199 118.600 0.308 0.000 3.070 520 c HA 0.326 4.898 4.570 0.002 0.000 0.280 520 c C 2.469 176.754 174.090 0.326 0.000 1.264 520 c CA 0.268 56.861 56.329 0.441 0.000 1.690 520 c CB -0.444 42.269 42.510 0.338 0.000 2.049 520 c HN 0.606 nan 8.230 nan 0.000 0.636 521 R N 1.759 122.383 120.500 0.205 0.000 2.189 521 R HA -0.047 4.295 4.340 0.002 0.000 0.223 521 R C 1.718 178.078 176.300 0.101 0.000 1.092 521 R CA 1.036 57.208 56.100 0.120 0.000 0.989 521 R CB -0.772 29.568 30.300 0.067 0.000 0.876 521 R HN 0.784 nan 8.270 nan 0.000 0.457 522 H N -1.705 117.302 119.070 -0.106 0.000 2.526 522 H HA 0.168 4.725 4.556 0.002 0.000 0.274 522 H C -0.270 174.950 175.328 -0.180 0.000 0.999 522 H CA -0.521 55.427 56.048 -0.167 0.000 1.157 522 H CB -0.653 28.964 29.762 -0.241 0.000 1.407 522 H HN -0.063 nan 8.280 nan 0.000 0.568 523 F N 2.080 121.874 119.950 -0.259 0.000 2.427 523 F HA 0.176 4.704 4.527 0.002 0.000 0.352 523 F C 1.572 177.370 175.800 -0.004 0.000 1.100 523 F CA -0.412 57.468 58.000 -0.198 0.000 1.191 523 F CB 1.656 40.581 39.000 -0.126 0.000 1.128 523 F HN 0.038 nan 8.300 nan 0.000 0.533 524 Q N 1.516 121.447 119.800 0.218 0.000 2.036 524 Q HA 0.003 4.344 4.340 0.002 0.000 0.195 524 Q C 0.792 176.955 176.000 0.272 0.000 0.971 524 Q CA 0.906 56.825 55.803 0.194 0.000 0.826 524 Q CB 0.088 28.907 28.738 0.136 0.000 0.896 524 Q HN 0.708 nan 8.270 nan 0.000 0.449 525 S N -1.647 114.145 115.700 0.154 0.000 2.739 525 S HA 0.200 4.671 4.470 0.002 0.000 0.306 525 S C 0.867 175.176 174.600 -0.486 0.000 1.115 525 S CA -0.775 57.369 58.200 -0.093 0.000 0.985 525 S CB 1.212 64.397 63.200 -0.026 0.000 1.133 525 S HN 0.382 nan 8.310 nan 0.000 0.541 526 c N 0.909 118.757 118.600 -1.254 0.000 2.453 526 c HA 0.010 4.581 4.570 0.002 0.000 0.277 526 c C 2.915 176.571 174.090 -0.723 0.000 1.262 526 c CA 1.641 57.100 56.329 -1.450 0.000 1.718 526 c CB -1.731 39.716 42.510 -1.772 0.000 2.031 526 c HN 0.931 nan 8.230 nan 0.000 0.480 527 S N 0.279 115.599 115.700 -0.633 0.000 2.370 527 S HA -0.217 4.254 4.470 0.002 0.000 0.226 527 S C 1.760 175.868 174.600 -0.819 0.000 1.033 527 S CA 1.757 59.519 58.200 -0.731 0.000 1.011 527 S CB -0.427 62.412 63.200 -0.601 0.000 0.852 527 S HN 0.774 nan 8.310 nan 0.000 0.457 528 Q N -0.546 118.943 119.800 -0.518 0.000 2.369 528 Q HA -0.009 4.333 4.340 0.002 0.000 0.206 528 Q C 2.263 177.907 176.000 -0.593 0.000 0.963 528 Q CA 0.812 56.378 55.803 -0.395 0.000 0.894 528 Q CB -0.362 28.313 28.738 -0.104 0.000 0.965 528 Q HN 0.591 nan 8.270 nan 0.000 0.475 529 c N 0.059 118.346 118.600 -0.522 0.000 2.468 529 c HA 0.084 4.655 4.570 0.002 0.000 0.277 529 c C 1.794 175.536 174.090 -0.581 0.000 1.400 529 c CA 0.355 56.341 56.329 -0.573 0.000 1.770 529 c CB -0.502 41.971 42.510 -0.062 0.000 1.905 529 c HN 0.478 nan 8.230 nan 0.000 0.519 530 L N -0.140 120.790 121.223 -0.489 0.000 2.693 530 L HA 0.172 4.514 4.340 0.002 0.000 0.235 530 L C 2.205 178.948 176.870 -0.211 0.000 1.127 530 L CA 0.280 54.943 54.840 -0.296 0.000 0.914 530 L CB -0.307 41.687 42.059 -0.109 0.000 1.193 530 L HN 0.074 nan 8.230 nan 0.000 0.502 531 S N 0.707 116.160 115.700 -0.412 0.000 2.522 531 S HA 0.160 4.631 4.470 0.002 0.000 0.227 531 S C 1.217 175.712 174.600 -0.174 0.000 0.986 531 S CA 0.192 58.257 58.200 -0.225 0.000 0.929 531 S CB -0.070 62.947 63.200 -0.304 0.000 0.769 531 S HN 0.394 nan 8.310 nan 0.000 0.529 532 A N 2.957 125.577 122.820 -0.333 0.000 2.445 532 A HA 0.428 4.749 4.320 0.002 0.000 0.242 532 A C -2.184 175.222 177.584 -0.296 0.000 1.075 532 A CA -1.161 50.726 52.037 -0.249 0.000 0.777 532 A CB -0.328 18.510 19.000 -0.270 0.000 1.013 532 A HN 0.122 nan 8.150 nan 0.000 0.493 533 P HA 0.059 nan 4.420 nan 0.000 0.271 533 P C -1.890 175.088 177.300 -0.537 0.000 1.233 533 P CA -0.804 61.943 63.100 -0.589 0.000 0.795 533 P CB -0.162 30.867 31.700 -1.117 0.000 0.936 534 P HA -0.146 nan 4.420 nan 0.000 0.219 534 P C 1.003 178.261 177.300 -0.070 0.000 1.146 534 P CA 1.373 64.398 63.100 -0.126 0.000 0.808 534 P CB -0.479 31.224 31.700 0.005 0.000 0.779 535 F N -2.377 117.608 119.950 0.058 0.000 2.512 535 F HA 0.039 4.568 4.527 0.002 0.000 0.296 535 F C 1.679 177.534 175.800 0.091 0.000 1.110 535 F CA 0.297 58.342 58.000 0.074 0.000 1.446 535 F CB -1.907 37.142 39.000 0.081 0.000 1.092 535 F HN -0.302 nan 8.300 nan 0.000 0.554 536 V N 0.088 119.943 119.914 -0.098 0.000 2.427 536 V HA -0.221 3.900 4.120 0.002 0.000 0.248 536 V C 1.222 177.399 176.094 0.139 0.000 1.051 536 V CA 1.546 63.908 62.300 0.103 0.000 1.048 536 V CB -1.210 30.630 31.823 0.028 0.000 0.666 536 V HN 0.583 nan 8.190 nan 0.000 0.456 537 Q N -1.212 118.642 119.800 0.089 0.000 2.459 537 Q HA -0.205 4.136 4.340 0.002 0.000 0.314 537 Q C 0.087 176.224 176.000 0.229 0.000 1.432 537 Q CA 0.204 56.104 55.803 0.161 0.000 0.823 537 Q CB -1.715 27.127 28.738 0.173 0.000 1.124 537 Q HN 0.730 nan 8.270 nan 0.000 0.392 538 c N -0.834 117.858 118.600 0.155 0.000 2.590 538 c HA 0.830 5.401 4.570 0.002 0.000 0.354 538 c C 1.290 175.475 174.090 0.157 0.000 1.622 538 c CA 0.434 56.868 56.329 0.176 0.000 2.050 538 c CB 1.233 43.770 42.510 0.045 0.000 1.960 538 c HN 0.789 nan 8.230 nan 0.000 0.550 539 G N 0.077 108.889 108.800 0.020 0.000 2.374 539 G HA2 0.234 4.196 3.960 0.002 0.000 0.298 539 G HA3 0.234 4.196 3.960 0.002 0.000 0.298 539 G C -0.864 173.844 174.900 -0.318 0.000 2.674 539 G CA -0.432 44.301 45.100 -0.613 0.000 0.775 539 G HN 0.817 nan 8.290 nan 0.000 0.437 540 W N 3.433 124.492 121.300 -0.401 0.000 2.443 540 W HA 0.267 4.928 4.660 0.002 0.000 0.335 540 W C -0.535 175.894 176.519 -0.149 0.000 1.382 540 W CA 0.107 57.317 57.345 -0.225 0.000 1.305 540 W CB 1.191 30.507 29.460 -0.240 0.000 1.283 540 W HN 0.447 nan 8.180 nan 0.000 0.567 541 c N 8.211 126.553 118.600 -0.430 0.000 2.566 541 c HA 0.195 4.766 4.570 0.002 0.000 0.300 541 c C 0.991 174.942 174.090 -0.232 0.000 1.147 541 c CA 0.141 56.367 56.329 -0.172 0.000 1.644 541 c CB -1.829 40.667 42.510 -0.022 0.000 1.691 541 c HN 0.988 nan 8.230 nan 0.000 0.440 542 H N 2.048 120.987 119.070 -0.218 0.000 4.905 542 H HA -0.227 4.331 4.556 0.002 0.000 0.065 542 H C 0.945 176.212 175.328 -0.102 0.000 0.584 542 H CA 3.070 59.076 56.048 -0.070 0.000 0.984 542 H CB -0.872 28.851 29.762 -0.065 0.000 0.446 542 H HN 0.593 nan 8.280 nan 0.000 0.786 543 D N -0.019 120.040 120.400 -0.568 0.000 2.331 543 D HA 0.197 4.839 4.640 0.002 0.000 0.300 543 D C 0.143 175.916 176.300 -0.878 0.000 1.090 543 D CA 0.336 54.000 54.000 -0.559 0.000 0.905 543 D CB 0.493 41.072 40.800 -0.368 0.000 1.600 543 D HN 0.523 nan 8.370 nan 0.000 0.511 544 K N -0.237 119.644 120.400 -0.864 0.000 2.238 544 K HA 0.577 4.898 4.320 0.002 0.000 0.239 544 K C -0.895 175.157 176.600 -0.914 0.000 0.987 544 K CA -0.825 55.006 56.287 -0.760 0.000 0.857 544 K CB 2.711 35.009 32.500 -0.338 0.000 1.154 544 K HN 0.062 nan 8.250 nan 0.000 0.439 545 c N 1.831 120.131 118.600 -0.500 0.000 2.319 545 c HA 0.718 5.290 4.570 0.002 0.000 0.335 545 c C -0.117 173.961 174.090 -0.020 0.000 1.274 545 c CA -0.160 56.065 56.329 -0.175 0.000 1.806 545 c CB 0.124 42.718 42.510 0.139 0.000 2.329 545 c HN 0.592 nan 8.230 nan 0.000 0.524 546 V N 5.660 125.607 119.914 0.055 0.000 3.181 546 V HA 0.609 4.730 4.120 0.002 0.000 0.307 546 V C -0.199 176.029 176.094 0.224 0.000 1.310 546 V CA -0.820 61.550 62.300 0.116 0.000 1.067 546 V CB 2.059 33.923 31.823 0.067 0.000 1.081 546 V HN 1.038 nan 8.190 nan 0.000 0.453 547 R N 0.363 120.975 120.500 0.187 0.000 2.840 547 R HA 0.225 4.566 4.340 0.002 0.000 0.282 547 R C 1.605 178.052 176.300 0.246 0.000 1.133 547 R CA 0.926 57.150 56.100 0.207 0.000 1.208 547 R CB 0.570 30.936 30.300 0.110 0.000 1.160 547 R HN 0.902 nan 8.270 nan 0.000 0.576 548 S N 0.143 115.923 115.700 0.134 0.000 2.426 548 S HA -0.186 4.286 4.470 0.002 0.000 0.220 548 S C 1.363 175.544 174.600 -0.698 0.000 1.040 548 S CA 1.741 59.748 58.200 -0.323 0.000 1.094 548 S CB -0.393 62.646 63.200 -0.269 0.000 1.072 548 S HN 0.769 nan 8.310 nan 0.000 0.415 549 E N 0.830 120.796 120.200 -0.390 0.000 2.485 549 E HA 0.000 4.351 4.350 0.002 0.000 0.194 549 E C 0.811 177.286 176.600 -0.208 0.000 1.098 549 E CA 0.458 56.663 56.400 -0.325 0.000 0.878 549 E CB -0.387 29.191 29.700 -0.204 0.000 0.939 549 E HN 0.748 nan 8.360 nan 0.000 0.503 550 E N 0.084 120.187 120.200 -0.161 0.000 2.437 550 E HA 0.098 4.450 4.350 0.002 0.000 0.195 550 E C -0.883 175.697 176.600 -0.034 0.000 1.029 550 E CA -0.300 56.060 56.400 -0.067 0.000 0.948 550 E CB 0.188 29.880 29.700 -0.014 0.000 1.082 550 E HN 0.178 nan 8.360 nan 0.000 0.456 551 c N 1.041 119.600 118.600 -0.069 0.000 2.303 551 c HA 0.274 4.846 4.570 0.002 0.000 0.341 551 c C 1.721 175.809 174.090 -0.004 0.000 1.244 551 c CA -0.548 55.798 56.329 0.027 0.000 1.765 551 c CB -0.828 41.754 42.510 0.121 0.000 2.379 551 c HN 0.572 nan 8.230 nan 0.000 0.530 552 L N 4.575 125.798 121.223 0.001 0.000 2.093 552 L HA 0.014 4.355 4.340 0.002 0.000 0.208 552 L C 1.550 178.410 176.870 -0.016 0.000 1.085 552 L CA 0.991 55.821 54.840 -0.016 0.000 0.755 552 L CB -0.654 41.392 42.059 -0.022 0.000 0.904 552 L HN 0.809 nan 8.230 nan 0.000 0.435 553 S N -1.182 114.517 115.700 -0.002 0.000 2.726 553 S HA 0.563 5.034 4.470 0.002 0.000 0.308 553 S C 0.422 175.042 174.600 0.033 0.000 1.115 553 S CA -0.308 57.886 58.200 -0.009 0.000 0.965 553 S CB 1.526 64.692 63.200 -0.056 0.000 1.145 553 S HN 0.065 nan 8.310 nan 0.000 0.532 554 G N -0.168 108.647 108.800 0.025 0.000 3.455 554 G HA2 0.382 4.343 3.960 0.002 0.000 0.250 554 G HA3 0.382 4.343 3.960 0.002 0.000 0.250 554 G C 0.249 175.199 174.900 0.083 0.000 1.071 554 G CA -0.007 45.126 45.100 0.056 0.000 1.812 554 G HN 0.768 nan 8.290 nan 0.000 0.643 555 T N -0.498 114.130 114.554 0.122 0.000 3.275 555 T HA 0.131 4.482 4.350 0.002 0.000 0.298 555 T C -0.322 174.483 174.700 0.174 0.000 0.988 555 T CA -0.808 61.371 62.100 0.131 0.000 0.936 555 T CB -0.303 68.641 68.868 0.127 0.000 1.159 555 T HN 0.397 nan 8.240 nan 0.000 0.519 556 W N 2.362 123.678 121.300 0.026 0.000 2.311 556 W HA 0.566 5.227 4.660 0.002 0.000 0.310 556 W C -0.015 176.520 176.519 0.026 0.000 1.274 556 W CA 0.268 57.629 57.345 0.027 0.000 1.215 556 W CB 0.767 30.231 29.460 0.007 0.000 1.227 556 W HN 0.116 nan 8.180 nan 0.000 0.523 557 T N 4.082 118.303 114.554 -0.555 0.000 2.802 557 T HA 0.202 4.554 4.350 0.002 0.000 0.311 557 T C -0.346 173.901 174.700 -0.756 0.000 1.405 557 T CA -0.522 61.280 62.100 -0.496 0.000 1.016 557 T CB 1.790 70.544 68.868 -0.189 0.000 1.352 557 T HN 0.522 nan 8.240 nan 0.000 0.498 558 Q N 0.645 120.144 119.800 -0.503 0.000 2.135 558 Q HA 0.328 4.669 4.340 0.002 0.000 0.222 558 Q C 0.873 176.718 176.000 -0.257 0.000 0.808 558 Q CA -0.120 55.449 55.803 -0.391 0.000 1.049 558 Q CB 0.927 29.492 28.738 -0.289 0.000 1.168 558 Q HN 0.576 nan 8.270 nan 0.000 0.483 559 Q N -0.505 119.132 119.800 -0.272 0.000 2.536 559 Q HA 0.181 4.522 4.340 0.002 0.000 0.212 559 Q C 0.109 175.825 176.000 -0.474 0.000 0.743 559 Q CA -0.153 55.460 55.803 -0.316 0.000 0.929 559 Q CB 1.219 29.812 28.738 -0.241 0.000 1.313 559 Q HN 0.172 nan 8.270 nan 0.000 0.524 560 I N 2.192 122.524 120.570 -0.396 0.000 2.389 560 I HA 0.058 4.229 4.170 0.002 0.000 0.295 560 I C -0.383 175.526 176.117 -0.346 0.000 1.117 560 I CA 0.058 61.098 61.300 -0.434 0.000 1.317 560 I CB -0.557 37.313 38.000 -0.216 0.000 1.431 560 I HN 0.244 nan 8.210 nan 0.000 0.521 561 c N 7.704 126.068 118.600 -0.393 0.000 2.322 561 c HA 0.517 5.088 4.570 0.002 0.000 0.324 561 c C 0.506 174.498 174.090 -0.164 0.000 1.249 561 c CA -0.713 55.444 56.329 -0.287 0.000 1.453 561 c CB 0.828 43.164 42.510 -0.290 0.000 2.145 561 c HN 0.575 nan 8.230 nan 0.000 0.466 562 L N 5.521 126.661 121.223 -0.138 0.000 2.375 562 L HA 0.415 4.756 4.340 0.002 0.000 0.271 562 L C -1.947 174.887 176.870 -0.060 0.000 1.107 562 L CA -1.444 53.370 54.840 -0.044 0.000 0.806 562 L CB 0.773 42.822 42.059 -0.017 0.000 1.146 562 L HN 0.322 nan 8.230 nan 0.000 0.447 563 P HA 0.291 nan 4.420 nan 0.000 0.274 563 P C -1.343 175.992 177.300 0.059 0.000 1.260 563 P CA -0.358 62.761 63.100 0.033 0.000 0.793 563 P CB 0.712 32.530 31.700 0.197 0.000 1.048 564 A N 0.768 123.667 122.820 0.132 0.000 2.518 564 A HA 0.508 4.829 4.320 0.002 0.000 0.295 564 A C -1.183 176.641 177.584 0.400 0.000 1.052 564 A CA -0.401 51.783 52.037 0.245 0.000 0.824 564 A CB 0.278 19.410 19.000 0.219 0.000 1.325 564 A HN 0.347 nan 8.150 nan 0.000 0.394 565 I N 3.191 123.966 120.570 0.341 0.000 2.321 565 I HA 0.253 4.424 4.170 0.002 0.000 0.291 565 I C 0.768 177.067 176.117 0.303 0.000 0.998 565 I CA -0.350 61.109 61.300 0.267 0.000 1.227 565 I CB 1.295 39.355 38.000 0.100 0.000 1.368 565 I HN 0.908 nan 8.210 nan 0.000 0.466 566 Y N 6.706 127.090 120.300 0.139 0.000 2.205 566 Y HA 0.178 4.730 4.550 0.002 0.000 0.292 566 Y C 0.759 176.681 175.900 0.036 0.000 1.119 566 Y CA 1.078 59.286 58.100 0.179 0.000 1.117 566 Y CB 0.450 38.961 38.460 0.085 0.000 1.037 566 Y HN 0.490 nan 8.280 nan 0.000 0.510 567 K N -0.576 119.747 120.400 -0.128 0.000 2.568 567 K HA 0.573 4.894 4.320 0.002 0.000 0.273 567 K C -2.160 173.938 176.600 -0.837 0.000 0.951 567 K CA -0.577 55.450 56.287 -0.433 0.000 0.854 567 K CB 2.047 34.391 32.500 -0.259 0.000 1.424 567 K HN -0.146 nan 8.250 nan 0.000 0.427 568 V N 3.010 122.305 119.914 -1.033 0.000 2.735 568 V HA 0.656 4.778 4.120 0.002 0.000 0.310 568 V C -1.313 174.271 176.094 -0.849 0.000 1.061 568 V CA -0.749 61.000 62.300 -0.919 0.000 0.913 568 V CB 1.505 32.916 31.823 -0.687 0.000 1.005 568 V HN 0.602 nan 8.190 nan 0.000 0.428 569 F N 3.885 123.831 119.950 -0.006 0.000 2.518 569 F HA 0.705 5.233 4.527 0.002 0.000 0.323 569 F C -2.451 173.382 175.800 0.055 0.000 1.129 569 F CA -2.587 55.434 58.000 0.035 0.000 0.920 569 F CB 1.658 40.665 39.000 0.012 0.000 1.160 569 F HN 0.288 nan 8.300 nan 0.000 0.440 570 P HA 0.272 nan 4.420 nan 0.000 0.293 570 P C 0.071 177.478 177.300 0.178 0.000 1.304 570 P CA -0.474 62.751 63.100 0.209 0.000 0.767 570 P CB 1.029 32.787 31.700 0.097 0.000 1.247 571 N N -1.530 117.222 118.700 0.086 0.000 2.422 571 N HA 0.025 4.767 4.740 0.002 0.000 0.181 571 N C 0.446 175.795 175.510 -0.267 0.000 1.080 571 N CA 0.419 53.495 53.050 0.043 0.000 0.893 571 N CB 0.218 38.739 38.487 0.056 0.000 0.973 571 N HN 0.438 nan 8.380 nan 0.000 0.456 572 S N -0.464 114.981 115.700 -0.425 0.000 2.851 572 S HA 0.877 5.348 4.470 0.002 0.000 0.313 572 S C -1.102 173.033 174.600 -0.776 0.000 1.163 572 S CA -0.753 57.008 58.200 -0.731 0.000 0.850 572 S CB 2.650 65.637 63.200 -0.354 0.000 1.245 572 S HN 0.056 nan 8.310 nan 0.000 0.558 573 A N 0.053 122.481 122.820 -0.653 0.000 2.610 573 A HA 0.879 5.200 4.320 0.002 0.000 0.291 573 A C -3.411 174.048 177.584 -0.209 0.000 1.086 573 A CA -1.498 50.282 52.037 -0.427 0.000 0.677 573 A CB 0.763 19.412 19.000 -0.585 0.000 1.278 573 A HN 0.589 nan 8.150 nan 0.000 0.414 574 P HA 0.429 nan 4.420 nan 0.000 0.276 574 P C 1.050 178.486 177.300 0.228 0.000 1.244 574 P CA -0.584 62.558 63.100 0.071 0.000 0.801 574 P CB 0.504 32.243 31.700 0.066 0.000 1.006 575 L N 0.349 121.694 121.223 0.203 0.000 1.991 575 L HA -0.261 4.081 4.340 0.002 0.000 0.221 575 L C 1.898 178.909 176.870 0.235 0.000 1.079 575 L CA 2.082 57.057 54.840 0.225 0.000 0.778 575 L CB -0.634 41.492 42.059 0.112 0.000 0.893 575 L HN 0.480 nan 8.230 nan 0.000 0.437 576 E N -0.870 119.435 120.200 0.175 0.000 2.485 576 E HA 0.155 4.506 4.350 0.002 0.000 0.213 576 E C 0.852 177.549 176.600 0.162 0.000 0.923 576 E CA 0.135 56.622 56.400 0.144 0.000 1.054 576 E CB 0.508 30.258 29.700 0.084 0.000 1.077 576 E HN 0.311 nan 8.360 nan 0.000 0.509 577 G N -0.061 108.833 108.800 0.158 0.000 2.568 577 G HA2 0.222 4.183 3.960 0.002 0.000 0.231 577 G HA3 0.222 4.183 3.960 0.002 0.000 0.231 577 G C 0.519 175.501 174.900 0.136 0.000 1.261 577 G CA 0.088 45.260 45.100 0.119 0.000 0.855 577 G HN 0.239 nan 8.290 nan 0.000 0.576 578 G N 0.801 109.655 108.800 0.090 0.000 4.637 578 G HA2 0.438 4.399 3.960 0.002 0.000 0.308 578 G HA3 0.438 4.399 3.960 0.002 0.000 0.308 578 G C 0.730 175.664 174.900 0.057 0.000 1.377 578 G CA 0.248 45.396 45.100 0.080 0.000 1.176 578 G HN 0.994 nan 8.290 nan 0.000 0.601 579 T N -1.300 113.293 114.554 0.066 0.000 2.906 579 T HA 0.159 4.510 4.350 0.002 0.000 0.329 579 T C 0.578 175.304 174.700 0.044 0.000 1.091 579 T CA -0.144 61.988 62.100 0.053 0.000 1.127 579 T CB 1.371 70.280 68.868 0.067 0.000 1.035 579 T HN 0.296 nan 8.240 nan 0.000 0.547 580 R N 0.900 121.418 120.500 0.031 0.000 2.441 580 R HA 0.537 4.878 4.340 0.002 0.000 0.284 580 R C -0.267 176.050 176.300 0.028 0.000 1.070 580 R CA -0.330 55.779 56.100 0.015 0.000 1.047 580 R CB 0.437 30.741 30.300 0.007 0.000 1.016 580 R HN 0.589 nan 8.270 nan 0.000 0.477 581 L N 1.885 123.102 121.223 -0.010 0.000 2.341 581 L HA 0.428 4.769 4.340 0.002 0.000 0.278 581 L C -0.515 176.332 176.870 -0.037 0.000 1.005 581 L CA -0.525 54.299 54.840 -0.027 0.000 0.818 581 L CB 2.332 44.316 42.059 -0.126 0.000 1.259 581 L HN 0.622 nan 8.230 nan 0.000 0.418 582 T N 4.722 119.285 114.554 0.014 0.000 2.809 582 T HA 0.527 4.878 4.350 0.002 0.000 0.296 582 T C -0.090 174.560 174.700 -0.083 0.000 1.015 582 T CA -0.188 61.925 62.100 0.022 0.000 0.954 582 T CB 0.560 69.528 68.868 0.166 0.000 0.950 582 T HN 0.275 nan 8.240 nan 0.000 0.450 583 I N 3.033 123.490 120.570 -0.188 0.000 2.371 583 I HA 0.311 4.482 4.170 0.002 0.000 0.282 583 I C -0.007 175.979 176.117 -0.218 0.000 1.031 583 I CA -0.620 60.503 61.300 -0.295 0.000 1.180 583 I CB 0.734 38.515 38.000 -0.365 0.000 1.336 583 I HN 0.516 nan 8.210 nan 0.000 0.467 584 C N 5.136 124.347 119.300 -0.148 0.000 2.369 584 C HA 0.870 5.332 4.460 0.002 0.000 0.358 584 C C 1.023 175.962 174.990 -0.084 0.000 1.274 584 C CA 0.098 59.070 59.018 -0.077 0.000 1.935 584 C CB 0.073 27.794 27.740 -0.032 0.000 2.431 584 C HN 1.034 nan 8.230 nan 0.000 0.545 585 G N 2.244 110.974 108.800 -0.117 0.000 2.510 585 G HA2 0.514 4.475 3.960 0.002 0.000 0.277 585 G HA3 0.514 4.475 3.960 0.002 0.000 0.277 585 G C -1.893 172.505 174.900 -0.837 0.000 1.223 585 G CA -0.394 44.474 45.100 -0.388 0.000 0.887 585 G HN 0.649 nan 8.290 nan 0.000 0.485 586 W N 0.575 121.568 121.300 -0.512 0.000 2.844 586 W HA 0.468 5.129 4.660 0.002 0.000 0.340 586 W C -0.798 175.109 176.519 -1.020 0.000 1.093 586 W CA -0.173 56.788 57.345 -0.641 0.000 1.212 586 W CB 1.671 30.893 29.460 -0.396 0.000 1.422 586 W HN 0.574 nan 8.180 nan 0.000 0.515 587 D N 1.955 122.001 120.400 -0.590 0.000 3.729 587 D HA -0.203 4.438 4.640 0.002 0.000 0.242 587 D C -0.357 175.648 176.300 -0.492 0.000 1.091 587 D CA 0.918 54.646 54.000 -0.454 0.000 1.096 587 D CB -1.782 38.812 40.800 -0.343 0.000 0.901 587 D HN 0.214 nan 8.370 nan 0.000 0.416 588 F N -0.162 119.813 119.950 0.040 0.000 2.746 588 F HA 0.325 4.853 4.527 0.002 0.000 0.320 588 F C 1.825 177.691 175.800 0.111 0.000 1.097 588 F CA -0.044 57.990 58.000 0.057 0.000 1.195 588 F CB 0.763 39.771 39.000 0.013 0.000 1.056 588 F HN 0.267 nan 8.300 nan 0.000 0.562 589 G N -0.469 108.510 108.800 0.297 0.000 2.434 589 G HA2 0.427 4.388 3.960 0.002 0.000 0.330 589 G HA3 0.427 4.388 3.960 0.002 0.000 0.330 589 G C -1.470 173.679 174.900 0.415 0.000 1.155 589 G CA -0.386 44.928 45.100 0.356 0.000 0.917 589 G HN -0.035 nan 8.290 nan 0.000 0.493 590 F N 0.767 120.758 119.950 0.069 0.000 2.377 590 F HA 0.604 5.133 4.527 0.002 0.000 0.328 590 F C 0.640 176.023 175.800 -0.695 0.000 1.094 590 F CA -1.199 56.731 58.000 -0.118 0.000 1.093 590 F CB 1.441 40.355 39.000 -0.142 0.000 1.214 590 F HN 0.293 nan 8.300 nan 0.000 0.518 591 R N 4.813 124.437 120.500 -1.459 0.000 2.229 591 R HA 0.572 4.913 4.340 0.002 0.000 0.328 591 R C -1.296 174.525 176.300 -0.799 0.000 1.009 591 R CA -0.342 54.862 56.100 -1.494 0.000 0.864 591 R CB 0.882 30.634 30.300 -0.914 0.000 1.085 591 R HN 0.881 nan 8.270 nan 0.000 0.453 592 R N 2.294 122.476 120.500 -0.530 0.000 3.429 592 R HA 0.048 4.389 4.340 0.002 0.000 0.277 592 R C -0.541 175.688 176.300 -0.119 0.000 0.978 592 R CA -0.023 55.953 56.100 -0.207 0.000 0.891 592 R CB -0.160 30.113 30.300 -0.047 0.000 1.299 592 R HN 0.766 nan 8.270 nan 0.000 0.541 593 N N 1.437 120.101 118.700 -0.059 0.000 2.713 593 N HA -0.267 4.474 4.740 0.002 0.000 0.251 593 N C -0.234 175.266 175.510 -0.016 0.000 1.117 593 N CA 1.989 55.024 53.050 -0.026 0.000 0.770 593 N CB -0.624 37.855 38.487 -0.012 0.000 1.137 593 N HN 0.719 nan 8.380 nan 0.000 0.566 594 N N -2.634 116.050 118.700 -0.028 0.000 2.366 594 N HA -0.211 4.530 4.740 0.002 0.000 0.211 594 N C -0.485 175.096 175.510 0.118 0.000 1.174 594 N CA 2.067 55.130 53.050 0.021 0.000 2.731 594 N CB -1.021 37.470 38.487 0.006 0.000 0.831 594 N HN 0.627 nan 8.380 nan 0.000 0.452 595 K N 0.016 120.465 120.400 0.082 0.000 2.168 595 K HA 0.438 4.759 4.320 0.002 0.000 0.258 595 K C -0.439 176.260 176.600 0.165 0.000 1.010 595 K CA 0.083 56.469 56.287 0.165 0.000 0.929 595 K CB 0.400 32.956 32.500 0.092 0.000 0.998 595 K HN -0.013 nan 8.250 nan 0.000 0.479 596 F N 1.436 121.387 119.950 0.001 0.000 2.529 596 F HA 0.232 4.760 4.527 0.002 0.000 0.320 596 F C -0.056 175.768 175.800 0.040 0.000 1.118 596 F CA -1.016 56.996 58.000 0.019 0.000 0.915 596 F CB 1.576 40.566 39.000 -0.016 0.000 1.161 596 F HN 0.586 nan 8.300 nan 0.000 0.445 597 D N 1.777 122.285 120.400 0.180 0.000 2.566 597 D HA 0.333 4.974 4.640 0.002 0.000 0.254 597 D C -0.586 175.791 176.300 0.129 0.000 1.090 597 D CA -0.585 53.491 54.000 0.126 0.000 1.034 597 D CB 1.391 42.231 40.800 0.067 0.000 1.434 597 D HN 0.470 nan 8.370 nan 0.000 0.509 598 L N 0.728 122.001 121.223 0.084 0.000 2.928 598 L HA 0.213 4.555 4.340 0.002 0.000 0.236 598 L C 1.923 178.805 176.870 0.020 0.000 1.290 598 L CA -0.335 54.545 54.840 0.068 0.000 1.099 598 L CB -0.140 41.946 42.059 0.044 0.000 1.437 598 L HN 0.392 nan 8.230 nan 0.000 0.493 599 K N 1.352 121.756 120.400 0.006 0.000 1.967 599 K HA -0.094 4.228 4.320 0.002 0.000 0.212 599 K C 0.933 177.486 176.600 -0.079 0.000 1.044 599 K CA 1.222 57.481 56.287 -0.047 0.000 0.942 599 K CB 0.188 32.642 32.500 -0.077 0.000 0.726 599 K HN 0.191 nan 8.250 nan 0.000 0.440 600 K N 1.652 121.983 120.400 -0.116 0.000 3.165 600 K HA 0.051 4.372 4.320 0.002 0.000 0.270 600 K C -0.811 175.762 176.600 -0.045 0.000 1.111 600 K CA 0.095 56.293 56.287 -0.148 0.000 1.216 600 K CB 0.390 32.692 32.500 -0.330 0.000 1.229 600 K HN 0.090 nan 8.250 nan 0.000 0.435 601 T N 1.115 115.658 114.554 -0.019 0.000 2.756 601 T HA 0.318 4.669 4.350 0.002 0.000 0.290 601 T C -0.552 174.127 174.700 -0.035 0.000 0.985 601 T CA -0.692 61.412 62.100 0.006 0.000 0.955 601 T CB 1.017 69.899 68.868 0.024 0.000 0.930 601 T HN 0.145 nan 8.240 nan 0.000 0.451 602 R N 2.669 123.148 120.500 -0.035 0.000 2.561 602 R HA 0.665 5.007 4.340 0.002 0.000 0.297 602 R C -1.570 174.693 176.300 -0.062 0.000 0.969 602 R CA -0.569 55.499 56.100 -0.052 0.000 0.879 602 R CB 1.104 31.375 30.300 -0.047 0.000 1.178 602 R HN 0.440 nan 8.270 nan 0.000 0.445 603 V N 5.180 125.044 119.914 -0.085 0.000 2.483 603 V HA 0.519 4.640 4.120 0.002 0.000 0.295 603 V C -0.744 175.299 176.094 -0.085 0.000 1.035 603 V CA -0.876 61.363 62.300 -0.102 0.000 0.896 603 V CB 1.703 33.439 31.823 -0.146 0.000 0.986 603 V HN 0.539 nan 8.190 nan 0.000 0.447 604 L N 5.660 126.836 121.223 -0.078 0.000 2.415 604 L HA 0.499 4.840 4.340 0.002 0.000 0.268 604 L C -0.944 175.881 176.870 -0.075 0.000 0.984 604 L CA -0.496 54.305 54.840 -0.066 0.000 0.853 604 L CB 1.527 43.559 42.059 -0.045 0.000 1.215 604 L HN 0.615 nan 8.230 nan 0.000 0.419 605 L N 5.999 127.172 121.223 -0.085 0.000 2.282 605 L HA 0.615 4.957 4.340 0.002 0.000 0.287 605 L C 0.983 177.825 176.870 -0.046 0.000 1.075 605 L CA 1.241 56.029 54.840 -0.086 0.000 0.839 605 L CB 0.394 42.383 42.059 -0.116 0.000 1.219 605 L HN 0.906 nan 8.230 nan 0.000 0.434 606 G N 4.787 113.563 108.800 -0.040 0.000 3.181 606 G HA2 -0.463 3.498 3.960 0.002 0.000 0.322 606 G HA3 -0.463 3.498 3.960 0.002 0.000 0.322 606 G C 0.913 175.763 174.900 -0.083 0.000 1.246 606 G CA 0.665 45.723 45.100 -0.070 0.000 0.989 606 G HN 0.690 nan 8.290 nan 0.000 0.607 607 N N 0.701 119.336 118.700 -0.109 0.000 2.297 607 N HA 0.122 4.863 4.740 0.002 0.000 0.208 607 N C -0.001 175.464 175.510 -0.074 0.000 1.176 607 N CA 0.567 53.564 53.050 -0.089 0.000 0.882 607 N CB 0.388 38.812 38.487 -0.104 0.000 1.134 607 N HN 0.449 nan 8.380 nan 0.000 0.489 608 E N 1.682 121.835 120.200 -0.079 0.000 2.220 608 E HA 0.053 4.404 4.350 0.002 0.000 0.272 608 E C -0.180 176.392 176.600 -0.046 0.000 1.099 608 E CA -0.020 56.347 56.400 -0.056 0.000 0.907 608 E CB 0.628 30.299 29.700 -0.047 0.000 1.022 608 E HN 0.309 nan 8.360 nan 0.000 0.428 609 S N 1.892 117.566 115.700 -0.043 0.000 2.558 609 S HA 0.035 4.506 4.470 0.002 0.000 0.288 609 S C 0.472 175.045 174.600 -0.046 0.000 1.318 609 S CA -0.784 57.388 58.200 -0.046 0.000 1.056 609 S CB 0.685 63.861 63.200 -0.041 0.000 0.853 609 S HN 0.527 nan 8.310 nan 0.000 0.505 610 c N 3.323 121.887 118.600 -0.060 0.000 2.365 610 c HA 0.785 5.356 4.570 0.002 0.000 0.349 610 c C 0.715 174.768 174.090 -0.063 0.000 1.191 610 c CA -0.250 56.039 56.329 -0.067 0.000 2.114 610 c CB 0.900 43.350 42.510 -0.101 0.000 2.367 610 c HN 1.032 nan 8.230 nan 0.000 0.530 611 T N 3.441 117.961 114.554 -0.057 0.000 2.770 611 T HA 0.509 4.861 4.350 0.002 0.000 0.297 611 T C -0.694 173.970 174.700 -0.060 0.000 0.997 611 T CA -0.430 61.640 62.100 -0.051 0.000 0.949 611 T CB 0.336 69.183 68.868 -0.036 0.000 0.941 611 T HN 0.547 nan 8.240 nan 0.000 0.457 612 L N 4.259 125.444 121.223 -0.065 0.000 2.276 612 L HA 0.406 4.747 4.340 0.002 0.000 0.286 612 L C 0.823 177.659 176.870 -0.056 0.000 1.061 612 L CA -0.810 53.987 54.840 -0.072 0.000 0.807 612 L CB 1.460 43.469 42.059 -0.083 0.000 1.177 612 L HN 0.872 nan 8.230 nan 0.000 0.429 613 T N 1.421 115.943 114.554 -0.054 0.000 2.992 613 T HA 0.252 4.603 4.350 0.002 0.000 0.299 613 T C 1.472 176.146 174.700 -0.043 0.000 1.027 613 T CA -0.627 61.448 62.100 -0.042 0.000 1.001 613 T CB 0.112 68.958 68.868 -0.037 0.000 1.005 613 T HN 0.444 nan 8.240 nan 0.000 0.599 614 L N 2.143 123.343 121.223 -0.039 0.000 2.127 614 L HA -0.171 4.171 4.340 0.002 0.000 0.211 614 L C 3.056 179.911 176.870 -0.026 0.000 1.089 614 L CA 1.648 56.468 54.840 -0.033 0.000 0.757 614 L CB -0.906 41.137 42.059 -0.027 0.000 0.899 614 L HN 0.794 nan 8.230 nan 0.000 0.434 615 S N -0.216 115.470 115.700 -0.024 0.000 2.370 615 S HA -0.223 4.248 4.470 0.002 0.000 0.226 615 S C 1.609 176.196 174.600 -0.022 0.000 1.033 615 S CA 1.263 59.451 58.200 -0.020 0.000 1.011 615 S CB -0.370 62.819 63.200 -0.018 0.000 0.852 615 S HN 0.526 nan 8.310 nan 0.000 0.457 616 E N 1.219 121.403 120.200 -0.027 0.000 2.502 616 E HA 0.185 4.536 4.350 0.002 0.000 0.194 616 E C -0.104 176.475 176.600 -0.034 0.000 1.062 616 E CA -0.020 56.363 56.400 -0.028 0.000 0.867 616 E CB 0.207 29.890 29.700 -0.029 0.000 0.888 616 E HN 0.432 nan 8.360 nan 0.000 0.510 617 S N 0.823 116.502 115.700 -0.036 0.000 2.578 617 S HA 0.311 4.783 4.470 0.002 0.000 0.283 617 S C 0.279 174.869 174.600 -0.017 0.000 1.195 617 S CA -0.666 57.508 58.200 -0.044 0.000 1.050 617 S CB 1.711 64.871 63.200 -0.067 0.000 1.012 617 S HN 0.239 nan 8.310 nan 0.000 0.511 618 T N -0.657 113.895 114.554 -0.004 0.000 2.807 618 T HA 0.426 4.778 4.350 0.002 0.000 0.277 618 T C 0.987 175.741 174.700 0.090 0.000 1.006 618 T CA -0.893 61.223 62.100 0.026 0.000 1.006 618 T CB 0.493 69.366 68.868 0.007 0.000 1.274 618 T HN 0.274 nan 8.240 nan 0.000 0.569 619 M N 1.138 120.790 119.600 0.086 0.000 2.632 619 M HA 0.088 4.569 4.480 0.002 0.000 0.256 619 M C 0.746 177.141 176.300 0.157 0.000 1.080 619 M CA 0.945 56.316 55.300 0.119 0.000 1.084 619 M CB -1.295 31.312 32.600 0.012 0.000 1.439 619 M HN 0.601 nan 8.290 nan 0.000 0.509 620 N N -1.026 117.757 118.700 0.138 0.000 2.218 620 N HA 0.072 4.813 4.740 0.002 0.000 0.224 620 N C -0.308 175.296 175.510 0.157 0.000 1.248 620 N CA 0.320 53.426 53.050 0.094 0.000 0.875 620 N CB 1.095 39.500 38.487 -0.137 0.000 1.165 620 N HN 0.117 nan 8.380 nan 0.000 0.485 621 T N 2.136 116.725 114.554 0.059 0.000 2.788 621 T HA 0.416 4.767 4.350 0.002 0.000 0.296 621 T C -0.660 173.973 174.700 -0.111 0.000 1.009 621 T CA -0.362 61.719 62.100 -0.031 0.000 0.949 621 T CB 1.587 70.438 68.868 -0.029 0.000 0.946 621 T HN -0.159 nan 8.240 nan 0.000 0.453 622 L N 4.036 125.114 121.223 -0.243 0.000 2.280 622 L HA 0.447 4.788 4.340 0.002 0.000 0.287 622 L C 0.228 176.978 176.870 -0.201 0.000 1.023 622 L CA -0.313 54.345 54.840 -0.303 0.000 0.819 622 L CB 0.991 42.712 42.059 -0.564 0.000 1.212 622 L HN 0.471 nan 8.230 nan 0.000 0.420 623 K N 3.167 123.482 120.400 -0.141 0.000 2.389 623 K HA 0.449 4.771 4.320 0.002 0.000 0.261 623 K C -0.850 175.689 176.600 -0.101 0.000 1.014 623 K CA -0.338 55.889 56.287 -0.100 0.000 0.920 623 K CB 1.527 33.989 32.500 -0.062 0.000 1.149 623 K HN 0.588 nan 8.250 nan 0.000 0.444 624 c N 2.211 120.745 118.600 -0.111 0.000 2.595 624 c HA 0.633 5.204 4.570 0.002 0.000 0.338 624 c C -0.241 173.804 174.090 -0.075 0.000 1.219 624 c CA -0.252 56.015 56.329 -0.104 0.000 1.811 624 c CB 1.170 43.595 42.510 -0.142 0.000 2.313 624 c HN 0.898 nan 8.230 nan 0.000 0.499 625 T N 2.500 117.019 114.554 -0.058 0.000 2.833 625 T HA 0.546 4.897 4.350 0.002 0.000 0.297 625 T C 0.041 174.730 174.700 -0.018 0.000 1.015 625 T CA -0.435 61.648 62.100 -0.030 0.000 0.963 625 T CB 0.580 69.437 68.868 -0.018 0.000 0.955 625 T HN 1.081 nan 8.240 nan 0.000 0.449 626 V N 1.240 121.154 119.914 0.001 0.000 4.129 626 V HA 1.016 5.138 4.120 0.002 0.000 0.269 626 V C 1.004 177.159 176.094 0.101 0.000 1.086 626 V CA 0.167 62.489 62.300 0.038 0.000 0.790 626 V CB -0.327 31.520 31.823 0.041 0.000 1.195 626 V HN 1.747 nan 8.190 nan 0.000 0.397 635 N N 1.401 120.327 118.700 0.376 0.000 2.628 635 N HA 0.312 5.054 4.740 0.002 0.000 0.299 635 N C -1.063 174.565 175.510 0.195 0.000 1.834 635 N CA -0.011 53.166 53.050 0.211 0.000 0.871 635 N CB 0.241 38.803 38.487 0.126 0.000 1.377 635 N HN 0.534 nan 8.380 nan 0.000 0.493 636 M N -0.415 119.335 119.600 0.250 0.000 2.036 636 M HA 0.192 4.673 4.480 0.002 0.000 0.276 636 M C 0.759 177.151 176.300 0.153 0.000 1.262 636 M CA 0.112 55.509 55.300 0.162 0.000 1.097 636 M CB 0.356 33.031 32.600 0.126 0.000 1.386 636 M HN 0.122 nan 8.290 nan 0.000 0.482 637 S N -0.310 115.446 115.700 0.093 0.000 2.648 637 S HA 0.769 5.240 4.470 0.002 0.000 0.305 637 S C -0.948 173.694 174.600 0.070 0.000 1.094 637 S CA -0.891 57.360 58.200 0.084 0.000 0.983 637 S CB 0.846 64.074 63.200 0.046 0.000 1.101 637 S HN 0.493 nan 8.310 nan 0.000 0.514 638 I N 2.761 123.387 120.570 0.093 0.000 2.474 638 I HA 0.507 4.679 4.170 0.002 0.000 0.294 638 I C -1.179 174.957 176.117 0.032 0.000 1.005 638 I CA -0.828 60.485 61.300 0.022 0.000 1.113 638 I CB 1.740 39.730 38.000 -0.016 0.000 1.289 638 I HN 0.439 nan 8.210 nan 0.000 0.436 639 I N 6.282 126.847 120.570 -0.009 0.000 2.569 639 I HA 0.505 4.676 4.170 0.002 0.000 0.296 639 I C -0.481 175.630 176.117 -0.009 0.000 1.028 639 I CA -0.291 61.013 61.300 0.008 0.000 1.082 639 I CB 2.013 40.015 38.000 0.003 0.000 1.264 639 I HN 0.349 nan 8.210 nan 0.000 0.429 640 I N 3.536 124.122 120.570 0.026 0.000 2.500 640 I HA 0.331 4.502 4.170 0.002 0.000 0.286 640 I C -0.642 175.521 176.117 0.076 0.000 1.063 640 I CA -0.408 60.910 61.300 0.030 0.000 1.062 640 I CB 2.026 40.055 38.000 0.048 0.000 1.223 640 I HN 0.501 nan 8.210 nan 0.000 0.435 641 S N 4.365 120.097 115.700 0.053 0.000 2.451 641 S HA 0.374 4.846 4.470 0.002 0.000 0.301 641 S C 0.203 174.857 174.600 0.091 0.000 1.116 641 S CA -0.654 57.585 58.200 0.066 0.000 1.093 641 S CB 0.679 63.893 63.200 0.024 0.000 1.017 641 S HN 0.711 nan 8.310 nan 0.000 0.482 642 N N 3.255 122.037 118.700 0.138 0.000 2.328 642 N HA 0.270 5.011 4.740 0.002 0.000 0.247 642 N C 1.050 176.648 175.510 0.147 0.000 1.165 642 N CA 0.217 53.376 53.050 0.181 0.000 0.873 642 N CB 0.186 38.829 38.487 0.260 0.000 1.125 642 N HN 0.972 nan 8.380 nan 0.000 0.513 643 G N -0.079 108.732 108.800 0.019 0.000 2.268 643 G HA2 -0.364 3.597 3.960 0.002 0.000 0.240 643 G HA3 -0.364 3.597 3.960 0.002 0.000 0.240 643 G C 0.684 175.473 174.900 -0.185 0.000 1.010 643 G CA 0.632 45.653 45.100 -0.132 0.000 0.618 643 G HN 0.582 nan 8.290 nan 0.000 0.516 644 H N -0.262 118.904 119.070 0.160 0.000 2.393 644 H HA 0.508 5.065 4.556 0.002 0.000 0.301 644 H C 1.661 177.028 175.328 0.064 0.000 1.019 644 H CA 0.997 57.108 56.048 0.106 0.000 1.311 644 H CB 0.495 30.297 29.762 0.066 0.000 1.475 644 H HN 0.710 nan 8.280 nan 0.000 0.572 645 G N -0.592 108.322 108.800 0.190 0.000 2.921 645 G HA2 0.513 4.474 3.960 0.002 0.000 0.291 645 G HA3 0.513 4.474 3.960 0.002 0.000 0.291 645 G C -0.935 174.025 174.900 0.100 0.000 1.370 645 G CA -0.180 44.990 45.100 0.116 0.000 0.847 645 G HN 0.331 nan 8.290 nan 0.000 0.532 646 T N -3.323 111.280 114.554 0.082 0.000 2.841 646 T HA 0.814 5.165 4.350 0.002 0.000 0.296 646 T C -0.567 174.183 174.700 0.084 0.000 1.166 646 T CA -0.465 61.684 62.100 0.081 0.000 1.007 646 T CB 1.870 70.773 68.868 0.058 0.000 1.253 646 T HN 0.738 nan 8.240 nan 0.000 0.511 647 T N 1.498 116.109 114.554 0.095 0.000 2.838 647 T HA 0.746 5.097 4.350 0.002 0.000 0.292 647 T C -1.212 173.547 174.700 0.098 0.000 1.113 647 T CA -0.957 61.205 62.100 0.103 0.000 1.008 647 T CB 1.891 70.842 68.868 0.138 0.000 1.259 647 T HN 0.978 nan 8.240 nan 0.000 0.520 648 Q N 0.301 120.167 119.800 0.110 0.000 2.587 648 Q HA 0.589 4.930 4.340 0.002 0.000 0.293 648 Q C -1.939 174.177 176.000 0.194 0.000 1.083 648 Q CA -1.113 54.759 55.803 0.115 0.000 0.792 648 Q CB 2.267 31.049 28.738 0.074 0.000 1.484 648 Q HN 0.818 nan 8.270 nan 0.000 0.446 649 Y N -0.186 120.125 120.300 0.017 0.000 2.264 649 Y HA 0.341 4.892 4.550 0.002 0.000 0.321 649 Y C -1.458 174.460 175.900 0.030 0.000 1.199 649 Y CA -0.138 57.972 58.100 0.016 0.000 1.175 649 Y CB 1.554 40.013 38.460 -0.002 0.000 1.213 649 Y HN 0.636 nan 8.280 nan 0.000 0.414 650 S N 3.715 119.232 115.700 -0.306 0.000 2.560 650 S HA 0.151 4.623 4.470 0.002 0.000 0.227 650 S C 0.689 175.131 174.600 -0.263 0.000 1.280 650 S CA 0.090 58.182 58.200 -0.179 0.000 1.260 650 S CB 0.451 63.599 63.200 -0.086 0.000 1.002 650 S HN 0.811 nan 8.310 nan 0.000 0.509 651 T N 0.349 114.645 114.554 -0.429 0.000 3.018 651 T HA 0.241 4.592 4.350 0.002 0.000 0.246 651 T C 0.321 175.030 174.700 0.015 0.000 1.026 651 T CA -0.282 61.669 62.100 -0.249 0.000 1.081 651 T CB -0.073 68.571 68.868 -0.374 0.000 0.970 651 T HN 0.482 nan 8.240 nan 0.000 0.475 652 F N 3.842 123.804 119.950 0.020 0.000 2.590 652 F HA 0.213 4.741 4.527 0.002 0.000 0.389 652 F C 0.208 176.033 175.800 0.043 0.000 1.049 652 F CA 0.093 58.130 58.000 0.061 0.000 1.199 652 F CB 0.165 39.222 39.000 0.094 0.000 1.058 652 F HN -0.065 nan 8.300 nan 0.000 0.556 653 S N 5.212 120.690 115.700 -0.369 0.000 2.600 653 S HA 0.349 4.820 4.470 0.002 0.000 0.300 653 S C -0.903 173.516 174.600 -0.301 0.000 1.087 653 S CA -0.489 57.620 58.200 -0.153 0.000 0.965 653 S CB 1.290 64.435 63.200 -0.091 0.000 1.089 653 S HN 0.537 nan 8.310 nan 0.000 0.496 654 Y N 1.849 122.132 120.300 -0.028 0.000 2.833 654 Y HA 0.260 4.811 4.550 0.002 0.000 0.339 654 Y C 0.616 176.512 175.900 -0.007 0.000 1.032 654 Y CA -0.619 57.488 58.100 0.012 0.000 1.450 654 Y CB -0.337 38.231 38.460 0.180 0.000 1.296 654 Y HN 0.521 nan 8.280 nan 0.000 0.535 655 V N -1.477 118.451 119.914 0.023 0.000 3.083 655 V HA -0.108 4.013 4.120 0.002 0.000 0.303 655 V C 0.292 176.407 176.094 0.036 0.000 1.151 655 V CA -0.408 61.900 62.300 0.014 0.000 1.275 655 V CB 0.697 32.500 31.823 -0.033 0.000 0.950 655 V HN 0.306 nan 8.190 nan 0.000 0.506 656 D N 3.967 124.382 120.400 0.024 0.000 2.396 656 D HA 0.437 5.078 4.640 0.002 0.000 0.225 656 D C -2.542 173.766 176.300 0.013 0.000 1.121 656 D CA -2.155 51.860 54.000 0.026 0.000 0.853 656 D CB 1.042 41.851 40.800 0.015 0.000 1.043 656 D HN 0.537 nan 8.370 nan 0.000 0.500 657 P HA 0.126 nan 4.420 nan 0.000 0.267 657 P C -0.957 176.349 177.300 0.010 0.000 1.209 657 P CA -0.274 62.831 63.100 0.009 0.000 0.763 657 P CB 0.890 32.598 31.700 0.015 0.000 0.816 658 V N 4.788 124.705 119.914 0.005 0.000 2.888 658 V HA 0.377 4.498 4.120 0.002 0.000 0.309 658 V C -0.058 176.037 176.094 0.002 0.000 1.114 658 V CA -0.594 61.709 62.300 0.005 0.000 0.940 658 V CB 2.316 34.141 31.823 0.003 0.000 1.021 658 V HN 0.316 nan 8.190 nan 0.000 0.426 659 I N 2.831 123.404 120.570 0.005 0.000 2.306 659 I HA 0.261 4.432 4.170 0.002 0.000 0.288 659 I C 1.522 177.642 176.117 0.004 0.000 1.036 659 I CA -0.043 61.258 61.300 0.003 0.000 1.221 659 I CB 1.420 39.423 38.000 0.006 0.000 1.385 659 I HN 0.838 nan 8.210 nan 0.000 0.472 660 T N 3.098 117.652 114.554 0.001 0.000 2.564 660 T HA -0.096 4.255 4.350 0.002 0.000 0.259 660 T C 0.888 175.591 174.700 0.004 0.000 1.087 660 T CA 1.438 63.538 62.100 0.002 0.000 1.184 660 T CB 0.239 69.106 68.868 -0.001 0.000 0.864 660 T HN 0.521 nan 8.240 nan 0.000 0.403 661 S N -0.969 114.733 115.700 0.002 0.000 2.661 661 S HA 0.729 5.201 4.470 0.002 0.000 0.285 661 S C -1.633 172.970 174.600 0.005 0.000 1.138 661 S CA -0.919 57.285 58.200 0.006 0.000 0.855 661 S CB 1.466 64.668 63.200 0.004 0.000 1.136 661 S HN 0.523 nan 8.310 nan 0.000 0.484 662 I N 1.748 122.326 120.570 0.013 0.000 2.569 662 I HA 0.690 4.861 4.170 0.002 0.000 0.290 662 I C -1.179 174.951 176.117 0.021 0.000 1.088 662 I CA 0.008 61.319 61.300 0.017 0.000 1.047 662 I CB 1.897 39.920 38.000 0.039 0.000 1.237 662 I HN 0.594 nan 8.210 nan 0.000 0.421 663 S N 7.244 122.948 115.700 0.007 0.000 2.533 663 S HA 0.666 5.138 4.470 0.002 0.000 0.271 663 S C -2.862 171.726 174.600 -0.020 0.000 1.143 663 S CA -1.016 57.179 58.200 -0.008 0.000 0.891 663 S CB 2.206 65.393 63.200 -0.022 0.000 1.105 663 S HN 0.381 nan 8.310 nan 0.000 0.468 664 P HA 0.386 nan 4.420 nan 0.000 0.274 664 P C -0.068 177.220 177.300 -0.021 0.000 1.237 664 P CA -0.364 62.673 63.100 -0.105 0.000 0.793 664 P CB 0.486 32.045 31.700 -0.236 0.000 0.977 665 K N 0.605 120.918 120.400 -0.145 0.000 2.211 665 K HA 0.015 4.337 4.320 0.002 0.000 0.201 665 K C 0.666 177.001 176.600 -0.441 0.000 1.052 665 K CA 1.068 57.288 56.287 -0.111 0.000 0.973 665 K CB -0.151 32.337 32.500 -0.021 0.000 0.766 665 K HN 0.566 nan 8.250 nan 0.000 0.466 666 Y N -0.844 119.191 120.300 -0.442 0.000 2.654 666 Y HA 0.749 5.301 4.550 0.002 0.000 0.327 666 Y C 0.173 175.792 175.900 -0.469 0.000 1.122 666 Y CA -1.242 56.445 58.100 -0.688 0.000 1.227 666 Y CB 1.154 39.419 38.460 -0.325 0.000 1.370 666 Y HN -0.065 nan 8.280 nan 0.000 0.528 667 G N -0.719 108.017 108.800 -0.107 0.000 2.441 667 G HA2 0.457 4.418 3.960 0.002 0.000 0.294 667 G HA3 0.457 4.418 3.960 0.002 0.000 0.294 667 G C -3.450 171.584 174.900 0.223 0.000 1.393 667 G CA -1.648 43.593 45.100 0.234 0.000 0.796 667 G HN 0.447 nan 8.290 nan 0.000 0.494 668 P HA 0.056 nan 4.420 nan 0.000 0.262 668 P C 1.276 178.725 177.300 0.249 0.000 1.182 668 P CA -0.041 63.170 63.100 0.185 0.000 0.761 668 P CB 0.654 32.442 31.700 0.147 0.000 0.795 669 M N 4.074 123.808 119.600 0.224 0.000 2.082 669 M HA -0.268 4.213 4.480 0.002 0.000 0.258 669 M C 1.627 178.104 176.300 0.296 0.000 1.069 669 M CA 2.593 58.058 55.300 0.275 0.000 1.102 669 M CB -0.466 32.237 32.600 0.173 0.000 1.336 669 M HN 0.421 nan 8.290 nan 0.000 0.404 670 A N 0.032 122.970 122.820 0.197 0.000 1.835 670 A HA 0.241 4.563 4.320 0.002 0.000 0.215 670 A C 1.239 178.950 177.584 0.211 0.000 1.199 670 A CA 1.564 53.693 52.037 0.153 0.000 0.615 670 A CB -1.187 17.872 19.000 0.097 0.000 0.838 670 A HN 0.873 nan 8.150 nan 0.000 0.444 671 G N -4.006 104.917 108.800 0.206 0.000 3.326 671 G HA2 0.518 4.479 3.960 0.002 0.000 0.681 671 G HA3 0.518 4.479 3.960 0.002 0.000 0.681 671 G C 0.242 175.203 174.900 0.102 0.000 1.255 671 G CA 0.053 45.278 45.100 0.208 0.000 0.976 671 G HN 1.793 nan 8.290 nan 0.000 0.563 672 G N -0.077 108.765 108.800 0.071 0.000 4.731 672 G HA2 0.511 4.473 3.960 0.002 0.000 0.219 672 G HA3 0.511 4.473 3.960 0.002 0.000 0.219 672 G C 0.268 175.210 174.900 0.069 0.000 0.668 672 G CA 1.069 46.194 45.100 0.042 0.000 0.964 672 G HN 1.500 nan 8.290 nan 0.000 0.679 673 T N 0.929 115.521 114.554 0.064 0.000 2.913 673 T HA 0.543 4.894 4.350 0.002 0.000 0.287 673 T C 0.143 174.892 174.700 0.082 0.000 1.008 673 T CA -0.388 61.755 62.100 0.072 0.000 1.067 673 T CB 0.947 69.845 68.868 0.051 0.000 0.996 673 T HN 0.473 nan 8.240 nan 0.000 0.513 674 L N 5.715 126.993 121.223 0.092 0.000 2.369 674 L HA 0.488 4.829 4.340 0.002 0.000 0.279 674 L C -0.886 175.920 176.870 -0.106 0.000 1.108 674 L CA -0.307 54.515 54.840 -0.030 0.000 0.852 674 L CB 0.150 42.195 42.059 -0.022 0.000 1.169 674 L HN 0.507 nan 8.230 nan 0.000 0.452 675 L N 5.420 126.538 121.223 -0.176 0.000 2.282 675 L HA 0.567 4.909 4.340 0.002 0.000 0.288 675 L C -0.252 176.533 176.870 -0.142 0.000 1.033 675 L CA 0.199 54.942 54.840 -0.161 0.000 0.807 675 L CB 1.349 43.265 42.059 -0.239 0.000 1.209 675 L HN 0.745 nan 8.230 nan 0.000 0.423 676 T N 6.113 120.612 114.554 -0.093 0.000 2.770 676 T HA 0.605 4.956 4.350 0.002 0.000 0.283 676 T C -0.101 174.566 174.700 -0.055 0.000 0.988 676 T CA -0.436 61.616 62.100 -0.080 0.000 0.957 676 T CB 0.831 69.660 68.868 -0.065 0.000 0.930 676 T HN 0.370 nan 8.240 nan 0.000 0.443 677 L N 2.792 123.982 121.223 -0.056 0.000 2.331 677 L HA 0.698 5.039 4.340 0.002 0.000 0.275 677 L C 0.263 177.115 176.870 -0.030 0.000 1.022 677 L CA -0.801 54.017 54.840 -0.037 0.000 0.812 677 L CB 1.871 43.906 42.059 -0.039 0.000 1.257 677 L HN 0.633 nan 8.230 nan 0.000 0.435 678 T N 0.241 114.783 114.554 -0.019 0.000 2.907 678 T HA 0.856 5.207 4.350 0.002 0.000 0.292 678 T C 0.134 174.827 174.700 -0.011 0.000 1.043 678 T CA -0.113 61.978 62.100 -0.016 0.000 1.003 678 T CB 2.248 71.108 68.868 -0.013 0.000 1.084 678 T HN 0.983 nan 8.240 nan 0.000 0.483 679 G N 2.057 110.851 108.800 -0.011 0.000 2.451 679 G HA2 0.185 4.146 3.960 0.002 0.000 0.083 679 G HA3 0.185 4.146 3.960 0.002 0.000 0.083 679 G C -1.780 173.114 174.900 -0.010 0.000 1.107 679 G CA -0.558 44.537 45.100 -0.009 0.000 1.117 679 G HN 0.706 nan 8.290 nan 0.000 0.454 690 I N 2.836 123.265 120.570 -0.235 0.000 3.153 690 I HA -0.137 4.034 4.170 0.002 0.000 0.330 690 I C 0.261 176.175 176.117 -0.338 0.000 1.198 690 I CA 1.650 62.806 61.300 -0.239 0.000 1.475 690 I CB 0.177 38.089 38.000 -0.147 0.000 1.295 690 I HN 0.663 nan 8.210 nan 0.000 0.540 691 S N 7.251 122.806 115.700 -0.242 0.000 2.599 691 S HA 0.512 4.984 4.470 0.002 0.000 0.269 691 S C -0.689 173.850 174.600 -0.102 0.000 1.135 691 S CA -1.072 57.014 58.200 -0.191 0.000 1.027 691 S CB 1.365 64.428 63.200 -0.228 0.000 1.129 691 S HN 0.622 nan 8.310 nan 0.000 0.458 692 I N 0.737 121.255 120.570 -0.086 0.000 2.676 692 I HA 0.836 5.007 4.170 0.002 0.000 0.309 692 I C 1.052 177.090 176.117 -0.131 0.000 0.990 692 I CA 0.992 62.267 61.300 -0.043 0.000 1.168 692 I CB 0.450 38.457 38.000 0.013 0.000 1.343 692 I HN 1.372 nan 8.210 nan 0.000 0.482 693 G N 3.464 112.168 108.800 -0.160 0.000 2.200 693 G HA2 -0.138 3.823 3.960 0.002 0.000 0.267 693 G HA3 -0.138 3.823 3.960 0.002 0.000 0.267 693 G C 1.159 175.908 174.900 -0.252 0.000 0.993 693 G CA 1.200 46.017 45.100 -0.471 0.000 0.701 693 G HN 2.225 nan 8.290 nan 0.000 0.524 694 G N -0.665 108.065 108.800 -0.116 0.000 3.400 694 G HA2 -0.218 3.743 3.960 0.002 0.000 0.209 694 G HA3 -0.218 3.743 3.960 0.002 0.000 0.209 694 G C 0.446 175.302 174.900 -0.073 0.000 1.411 694 G CA 0.559 45.618 45.100 -0.067 0.000 0.917 694 G HN 1.226 nan 8.290 nan 0.000 0.570 695 K N 3.694 124.030 120.400 -0.107 0.000 2.382 695 K HA 0.388 4.710 4.320 0.002 0.000 0.286 695 K C 0.907 177.458 176.600 -0.083 0.000 1.062 695 K CA 0.627 56.864 56.287 -0.083 0.000 1.000 695 K CB 0.027 32.469 32.500 -0.097 0.000 0.954 695 K HN 0.941 nan 8.250 nan 0.000 0.470 696 T N 0.070 114.588 114.554 -0.061 0.000 2.933 696 T HA 0.018 4.369 4.350 0.002 0.000 0.306 696 T C 1.182 175.836 174.700 -0.077 0.000 1.045 696 T CA -0.686 61.361 62.100 -0.088 0.000 1.143 696 T CB -0.111 68.721 68.868 -0.060 0.000 1.003 696 T HN 0.713 nan 8.240 nan 0.000 0.540 697 c N 2.757 121.298 118.600 -0.100 0.000 2.590 697 c HA 0.903 5.474 4.570 0.002 0.000 0.354 697 c C 0.816 174.876 174.090 -0.050 0.000 1.622 697 c CA -0.238 56.052 56.329 -0.065 0.000 2.050 697 c CB 0.450 42.908 42.510 -0.087 0.000 1.960 697 c HN 1.212 nan 8.230 nan 0.000 0.550 698 T N -0.020 114.528 114.554 -0.009 0.000 2.863 698 T HA 0.544 4.896 4.350 0.002 0.000 0.285 698 T C -0.781 173.901 174.700 -0.030 0.000 1.009 698 T CA -0.665 61.445 62.100 0.017 0.000 0.989 698 T CB 1.251 70.181 68.868 0.104 0.000 1.004 698 T HN 0.883 nan 8.240 nan 0.000 0.455 699 L N 3.178 124.381 121.223 -0.032 0.000 2.276 699 L HA 0.454 4.795 4.340 0.002 0.000 0.286 699 L C 0.895 177.725 176.870 -0.067 0.000 1.061 699 L CA -0.264 54.533 54.840 -0.072 0.000 0.807 699 L CB 1.476 43.509 42.059 -0.044 0.000 1.177 699 L HN 1.050 nan 8.230 nan 0.000 0.429 700 K N 2.839 123.147 120.400 -0.154 0.000 2.172 700 K HA 0.078 4.399 4.320 0.002 0.000 0.203 700 K C 0.203 176.757 176.600 -0.076 0.000 1.040 700 K CA 0.492 56.703 56.287 -0.126 0.000 0.974 700 K CB 0.397 32.707 32.500 -0.317 0.000 0.857 700 K HN 0.662 nan 8.250 nan 0.000 0.464 701 S N 1.064 116.706 115.700 -0.097 0.000 2.707 701 S HA 0.386 4.857 4.470 0.002 0.000 0.303 701 S C -0.744 173.822 174.600 -0.056 0.000 1.132 701 S CA -1.016 57.148 58.200 -0.061 0.000 1.046 701 S CB 1.718 64.885 63.200 -0.056 0.000 1.004 701 S HN 0.045 nan 8.310 nan 0.000 0.483 702 V N 2.512 122.404 119.914 -0.037 0.000 2.997 702 V HA 0.914 5.035 4.120 0.002 0.000 0.311 702 V C 0.131 176.211 176.094 -0.024 0.000 1.066 702 V CA 0.368 62.650 62.300 -0.030 0.000 1.039 702 V CB 1.739 33.551 31.823 -0.019 0.000 1.081 702 V HN 1.247 nan 8.190 nan 0.000 0.467 703 S N 1.963 117.651 115.700 -0.021 0.000 2.694 703 S HA 0.309 4.781 4.470 0.002 0.000 0.273 703 S C 0.023 174.614 174.600 -0.015 0.000 1.180 703 S CA 0.039 58.229 58.200 -0.017 0.000 0.864 703 S CB 1.026 64.214 63.200 -0.020 0.000 1.198 703 S HN 1.047 nan 8.310 nan 0.000 0.499 704 N N -0.279 118.413 118.700 -0.014 0.000 2.197 704 N HA 0.259 5.000 4.740 0.002 0.000 0.201 704 N C 0.873 176.374 175.510 -0.015 0.000 1.148 704 N CA 0.554 53.595 53.050 -0.014 0.000 0.883 704 N CB 0.772 39.251 38.487 -0.014 0.000 1.012 704 N HN 0.221 nan 8.380 nan 0.000 0.507 705 S N -0.619 115.072 115.700 -0.015 0.000 2.593 705 S HA 0.428 4.899 4.470 0.002 0.000 0.235 705 S C -0.070 174.518 174.600 -0.019 0.000 1.059 705 S CA -0.460 57.731 58.200 -0.015 0.000 0.953 705 S CB 0.340 63.533 63.200 -0.013 0.000 0.897 705 S HN 0.301 nan 8.310 nan 0.000 0.507 706 I N 1.578 122.134 120.570 -0.023 0.000 2.722 706 I HA 0.425 4.597 4.170 0.002 0.000 0.292 706 I C -2.063 174.030 176.117 -0.041 0.000 1.267 706 I CA -0.813 60.469 61.300 -0.031 0.000 1.036 706 I CB 1.957 39.939 38.000 -0.030 0.000 1.281 706 I HN 0.085 nan 8.210 nan 0.000 0.423 707 L N 6.603 127.795 121.223 -0.052 0.000 2.362 707 L HA 0.553 4.895 4.340 0.002 0.000 0.275 707 L C -0.770 176.040 176.870 -0.100 0.000 0.998 707 L CA -0.623 54.176 54.840 -0.069 0.000 0.820 707 L CB 2.035 44.056 42.059 -0.062 0.000 1.270 707 L HN 0.516 nan 8.230 nan 0.000 0.415 708 E N 2.019 122.139 120.200 -0.133 0.000 2.171 708 E HA 0.468 4.819 4.350 0.002 0.000 0.271 708 E C -1.400 175.028 176.600 -0.286 0.000 0.916 708 E CA -0.446 55.831 56.400 -0.205 0.000 0.774 708 E CB 2.622 32.193 29.700 -0.215 0.000 1.128 708 E HN 0.508 nan 8.360 nan 0.000 0.403 709 c N 3.868 122.260 118.600 -0.346 0.000 2.888 709 c HA 0.521 5.093 4.570 0.002 0.000 0.308 709 c C -1.671 172.177 174.090 -0.404 0.000 1.213 709 c CA -0.632 55.490 56.329 -0.344 0.000 1.461 709 c CB 0.339 42.727 42.510 -0.203 0.000 1.934 709 c HN 0.717 nan 8.230 nan 0.000 0.474 710 Y N 2.610 122.857 120.300 -0.088 0.000 2.328 710 Y HA 0.438 4.989 4.550 0.002 0.000 0.337 710 Y C 1.180 177.014 175.900 -0.110 0.000 1.008 710 Y CA -0.083 57.963 58.100 -0.090 0.000 1.129 710 Y CB 1.391 39.816 38.460 -0.058 0.000 1.185 710 Y HN 0.758 nan 8.280 nan 0.000 0.476 711 T N 5.529 120.089 114.554 0.011 0.000 2.888 711 T HA 0.244 4.595 4.350 0.002 0.000 0.301 711 T C -2.565 172.147 174.700 0.019 0.000 1.001 711 T CA -1.543 60.513 62.100 -0.073 0.000 1.147 711 T CB 0.258 68.992 68.868 -0.224 0.000 0.931 711 T HN 0.286 nan 8.240 nan 0.000 0.541 712 P HA 0.240 nan 4.420 nan 0.000 0.267 712 P C -0.812 176.519 177.300 0.051 0.000 1.205 712 P CA -0.274 62.833 63.100 0.012 0.000 0.765 712 P CB 0.347 32.024 31.700 -0.038 0.000 0.828 713 A N 4.295 127.135 122.820 0.033 0.000 2.899 713 A HA 0.029 4.350 4.320 0.002 0.000 0.287 713 A C 0.473 178.048 177.584 -0.015 0.000 1.715 713 A CA 0.061 52.127 52.037 0.047 0.000 1.393 713 A CB -0.965 18.054 19.000 0.031 0.000 1.070 713 A HN 0.503 nan 8.150 nan 0.000 0.587 714 Q N 0.160 119.912 119.800 -0.080 0.000 2.306 714 Q HA 0.218 4.559 4.340 0.002 0.000 0.241 714 Q C 0.574 176.490 176.000 -0.140 0.000 0.948 714 Q CA -0.087 55.596 55.803 -0.200 0.000 0.886 714 Q CB 1.086 29.547 28.738 -0.462 0.000 1.227 714 Q HN 0.548 nan 8.270 nan 0.000 0.457 715 T N 3.010 117.502 114.554 -0.103 0.000 3.607 715 T HA 0.280 4.631 4.350 0.002 0.000 0.225 715 T C -0.218 174.466 174.700 -0.027 0.000 0.904 715 T CA -0.184 61.889 62.100 -0.044 0.000 0.962 715 T CB -0.572 68.280 68.868 -0.026 0.000 1.221 715 T HN 0.294 nan 8.240 nan 0.000 0.641 716 I N 0.540 121.084 120.570 -0.043 0.000 3.322 716 I HA 0.470 4.641 4.170 0.002 0.000 0.313 716 I C 0.783 176.943 176.117 0.072 0.000 1.129 716 I CA -1.107 60.214 61.300 0.036 0.000 0.963 716 I CB 1.516 39.608 38.000 0.153 0.000 1.273 716 I HN 0.290 nan 8.210 nan 0.000 0.473 717 S N -1.376 114.388 115.700 0.106 0.000 2.960 717 S HA 0.178 4.649 4.470 0.002 0.000 0.256 717 S C 0.238 174.908 174.600 0.117 0.000 1.017 717 S CA -0.329 57.949 58.200 0.129 0.000 1.144 717 S CB 0.317 63.565 63.200 0.080 0.000 1.109 717 S HN 0.727 nan 8.310 nan 0.000 0.638 718 T N 1.767 116.371 114.554 0.084 0.000 2.889 718 T HA 0.530 4.881 4.350 0.002 0.000 0.278 718 T C -0.998 173.674 174.700 -0.047 0.000 0.995 718 T CA -0.463 61.607 62.100 -0.051 0.000 0.966 718 T CB 1.437 70.179 68.868 -0.210 0.000 1.237 718 T HN 0.407 nan 8.240 nan 0.000 0.591 719 E N -0.039 120.039 120.200 -0.202 0.000 2.250 719 E HA 0.584 4.936 4.350 0.002 0.000 0.269 719 E C -1.319 175.062 176.600 -0.366 0.000 1.018 719 E CA -0.433 55.936 56.400 -0.053 0.000 0.873 719 E CB 1.186 30.874 29.700 -0.019 0.000 1.134 719 E HN 0.370 nan 8.360 nan 0.000 0.403 720 F N 0.052 120.159 119.950 0.261 0.000 2.613 720 F HA 0.515 5.043 4.527 0.002 0.000 0.310 720 F C -0.268 175.633 175.800 0.170 0.000 1.085 720 F CA -1.099 57.021 58.000 0.200 0.000 0.945 720 F CB 1.590 40.727 39.000 0.229 0.000 1.298 720 F HN 0.461 nan 8.300 nan 0.000 0.455 721 A N 1.266 124.273 122.820 0.311 0.000 2.331 721 A HA 0.657 4.978 4.320 0.002 0.000 0.283 721 A C -0.874 176.813 177.584 0.172 0.000 1.142 721 A CA -0.539 51.614 52.037 0.194 0.000 0.812 721 A CB 0.351 19.431 19.000 0.133 0.000 1.074 721 A HN 0.533 nan 8.150 nan 0.000 0.497 722 V N 2.773 122.761 119.914 0.123 0.000 2.385 722 V HA 0.305 4.426 4.120 0.002 0.000 0.269 722 V C 0.308 176.425 176.094 0.039 0.000 1.043 722 V CA -0.308 62.034 62.300 0.069 0.000 0.906 722 V CB 0.593 32.444 31.823 0.046 0.000 0.995 722 V HN 0.869 nan 8.190 nan 0.000 0.467 723 K N 5.414 125.826 120.400 0.019 0.000 2.339 723 K HA 0.462 4.784 4.320 0.002 0.000 0.264 723 K C -0.865 175.731 176.600 -0.007 0.000 0.986 723 K CA -0.616 55.681 56.287 0.017 0.000 0.866 723 K CB 0.869 33.387 32.500 0.030 0.000 1.103 723 K HN 0.471 nan 8.250 nan 0.000 0.441 724 L N 3.801 125.029 121.223 0.008 0.000 2.380 724 L HA 0.235 4.577 4.340 0.002 0.000 0.273 724 L C 0.166 177.069 176.870 0.056 0.000 1.138 724 L CA 0.021 54.869 54.840 0.014 0.000 0.832 724 L CB 1.084 43.153 42.059 0.016 0.000 1.124 724 L HN 0.636 nan 8.230 nan 0.000 0.454 725 K N 3.761 124.227 120.400 0.111 0.000 3.163 725 K HA 0.320 4.641 4.320 0.002 0.000 0.186 725 K C -0.445 176.237 176.600 0.137 0.000 1.111 725 K CA -0.234 56.155 56.287 0.170 0.000 0.918 725 K CB -0.423 32.285 32.500 0.347 0.000 1.059 725 K HN 0.337 nan 8.250 nan 0.000 0.558 726 I N 2.518 123.138 120.570 0.084 0.000 2.280 726 I HA 0.079 4.250 4.170 0.002 0.000 0.287 726 I C 0.096 176.239 176.117 0.044 0.000 1.121 726 I CA 0.303 61.637 61.300 0.057 0.000 1.798 726 I CB -0.311 37.713 38.000 0.040 0.000 1.489 726 I HN 0.485 nan 8.210 nan 0.000 0.805 727 D N 0.616 121.037 120.400 0.035 0.000 2.382 727 D HA -0.253 4.388 4.640 0.002 0.000 0.163 727 D C 0.395 176.720 176.300 0.043 0.000 1.469 727 D CA 1.170 55.188 54.000 0.030 0.000 1.338 727 D CB -0.515 40.305 40.800 0.034 0.000 1.241 727 D HN 0.360 nan 8.370 nan 0.000 0.441 728 L N 0.755 122.008 121.223 0.050 0.000 2.377 728 L HA 0.617 4.958 4.340 0.002 0.000 0.270 728 L C -0.254 176.647 176.870 0.052 0.000 0.991 728 L CA -0.444 54.427 54.840 0.053 0.000 0.851 728 L CB 1.415 43.511 42.059 0.061 0.000 1.218 728 L HN 0.100 nan 8.230 nan 0.000 0.420 729 A N 4.055 126.906 122.820 0.052 0.000 2.512 729 A HA 0.122 4.444 4.320 0.002 0.000 0.278 729 A C 0.254 177.866 177.584 0.046 0.000 1.128 729 A CA 0.465 52.535 52.037 0.055 0.000 0.818 729 A CB -0.809 18.223 19.000 0.053 0.000 1.044 729 A HN 0.897 nan 8.150 nan 0.000 0.526 730 N N 0.777 119.503 118.700 0.044 0.000 2.752 730 N HA 0.394 5.135 4.740 0.002 0.000 0.316 730 N C 0.414 175.943 175.510 0.033 0.000 1.343 730 N CA -0.808 52.264 53.050 0.036 0.000 0.875 730 N CB 0.390 38.897 38.487 0.033 0.000 1.120 730 N HN 0.673 nan 8.380 nan 0.000 0.562 731 R N 0.619 121.136 120.500 0.027 0.000 2.538 731 R HA -0.089 4.252 4.340 0.002 0.000 0.273 731 R C -0.367 175.952 176.300 0.031 0.000 0.967 731 R CA 0.432 56.548 56.100 0.027 0.000 1.101 731 R CB 0.217 30.530 30.300 0.021 0.000 0.908 731 R HN 0.497 nan 8.270 nan 0.000 0.411 732 E N 4.013 124.235 120.200 0.036 0.000 2.464 732 E HA 0.036 4.387 4.350 0.002 0.000 0.260 732 E C -0.360 176.269 176.600 0.048 0.000 1.318 732 E CA -0.368 56.060 56.400 0.047 0.000 1.571 732 E CB 0.464 30.197 29.700 0.056 0.000 1.525 732 E HN 0.518 nan 8.360 nan 0.000 0.449 733 T N 0.878 115.456 114.554 0.040 0.000 2.663 733 T HA -0.017 4.334 4.350 0.002 0.000 0.325 733 T C 0.142 174.873 174.700 0.051 0.000 1.059 733 T CA 0.084 62.206 62.100 0.037 0.000 1.039 733 T CB 0.230 69.115 68.868 0.028 0.000 0.996 733 T HN 0.456 nan 8.240 nan 0.000 0.539 734 S N 1.427 117.154 115.700 0.045 0.000 4.273 734 S HA -0.124 4.347 4.470 0.002 0.000 0.512 734 S C 0.104 174.754 174.600 0.083 0.000 1.063 734 S CA -0.141 58.090 58.200 0.052 0.000 0.904 734 S CB -0.622 62.604 63.200 0.043 0.000 0.778 734 S HN 0.471 nan 8.310 nan 0.000 0.467 735 I N 4.126 124.746 120.570 0.083 0.000 2.529 735 I HA 0.256 4.427 4.170 0.002 0.000 0.284 735 I C 0.270 176.478 176.117 0.151 0.000 1.082 735 I CA -0.091 61.285 61.300 0.127 0.000 1.406 735 I CB 0.080 38.136 38.000 0.093 0.000 1.405 735 I HN 0.557 nan 8.210 nan 0.000 0.548 736 F N 5.898 125.887 119.950 0.065 0.000 2.375 736 F HA 0.472 5.000 4.527 0.002 0.000 0.333 736 F C 0.370 176.204 175.800 0.057 0.000 1.104 736 F CA -0.243 57.769 58.000 0.020 0.000 1.149 736 F CB 0.885 39.861 39.000 -0.040 0.000 1.190 736 F HN 0.519 nan 8.300 nan 0.000 0.533 737 S N 4.560 119.867 115.700 -0.655 0.000 2.640 737 S HA 0.436 4.907 4.470 0.002 0.000 0.320 737 S C -1.359 173.059 174.600 -0.302 0.000 1.097 737 S CA -0.651 57.385 58.200 -0.274 0.000 1.092 737 S CB 0.073 63.158 63.200 -0.191 0.000 0.988 737 S HN 0.555 nan 8.310 nan 0.000 0.470 738 Y N 2.452 122.828 120.300 0.127 0.000 2.436 738 Y HA 0.501 5.053 4.550 0.002 0.000 0.336 738 Y C 0.949 176.905 175.900 0.093 0.000 1.049 738 Y CA -0.213 58.009 58.100 0.203 0.000 1.294 738 Y CB 0.698 39.341 38.460 0.304 0.000 1.179 738 Y HN 0.661 nan 8.280 nan 0.000 0.520 739 R N 2.675 123.287 120.500 0.188 0.000 2.584 739 R HA 0.189 4.531 4.340 0.002 0.000 0.276 739 R C -1.286 175.073 176.300 0.098 0.000 1.046 739 R CA -0.784 55.380 56.100 0.106 0.000 0.906 739 R CB 1.511 31.825 30.300 0.023 0.000 1.215 739 R HN 0.794 nan 8.270 nan 0.000 0.449 740 E N 2.770 123.017 120.200 0.079 0.000 2.344 740 E HA 0.041 4.392 4.350 0.002 0.000 0.270 740 E C -0.792 175.829 176.600 0.034 0.000 1.021 740 E CA -0.258 56.180 56.400 0.064 0.000 0.887 740 E CB 0.752 30.484 29.700 0.053 0.000 0.997 740 E HN 0.393 nan 8.360 nan 0.000 0.429 741 D N 0.000 120.421 120.400 0.036 0.000 6.856 741 D HA 0.000 4.641 4.640 0.002 0.000 0.175 741 D CA 0.000 54.008 54.000 0.014 0.000 0.868 741 D CB 0.000 40.816 40.800 0.026 0.000 0.688 741 D HN 0.000 nan 8.370 nan 0.000 0.683