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 1zy9_1_A DATA FIRST_RESID 0 DATA SEQUENCE HXEIFGKTFR EGRFVLKEKN FTVEFAVEKI HLGWKISGRV KGSPGRLEVL DATA SEQUENCE RTKAPEKVLV NNWQSWGPCR VVDAFSFKPP EIDPNWRYTA SVVPDVLERN DATA SEQUENCE LQSDYFVAEE GKVYGFLSSK IAHPFFAVED GELVAYLEYF DVEFDDFVPL DATA SEQUENCE EPLVVLEDPN TPLLLEKYAE LVGXENNARV PKHTPTGWCS WYHYFLDLTW DATA SEQUENCE EETLKNLKLA KNFPFEVFQI DDAYEKDIGD WLVTRGDFPS VEEXAKVIAE DATA SEQUENCE NGFIPGIWTA PFSVSETSDV FNEHPDWVVK ENGEPKXAYR NWNKKIYALD DATA SEQUENCE LSKDEVLNWL FDLFSSLRKX GYRYFKIDFL FAGAVPGERK KNITPIQAFR DATA SEQUENCE KGIETIRKAV GEDSFILGCG SPLLPAVGCV DGXRIGPDTA PFWGEHIEDN DATA SEQUENCE GAPAARWALR NAITRYFXHD RFWLNDPDCL ILREEKTDLT QKEKELYSYT DATA SEQUENCE CGVLDNXIIE SDDLSLVRDH GKKVLKETLE LLGGRPRVQN IXSEDLRYEI DATA SEQUENCE VSSGTLSGNV KIVVDLNSRE YHLEKE 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.311 175.328 -0.028 0.000 0.993 0 H CA 0.000 56.028 56.048 -0.033 0.000 1.023 0 H CB 0.000 29.724 29.762 -0.064 0.000 1.292 3 I N 2.564 123.051 120.570 -0.138 0.000 2.354 3 I HA 0.299 4.470 4.170 0.000 0.000 0.292 3 I C 0.236 176.224 176.117 -0.215 0.000 0.989 3 I CA -0.792 60.352 61.300 -0.262 0.000 1.188 3 I CB -0.162 37.696 38.000 -0.237 0.000 1.342 3 I HN 0.686 nan 8.210 nan 0.000 0.457 4 F N 5.664 125.433 119.950 -0.302 0.000 2.907 4 F HA -0.203 4.324 4.527 0.000 0.000 0.244 4 F C 1.555 177.290 175.800 -0.109 0.000 1.007 4 F CA 1.252 59.105 58.000 -0.244 0.000 0.872 4 F CB -1.726 37.020 39.000 -0.425 0.000 0.767 4 F HN 0.886 nan 8.300 nan 0.000 0.837 5 G N -1.028 107.774 108.800 0.004 0.000 2.284 5 G HA2 -0.336 3.624 3.960 0.000 0.000 0.247 5 G HA3 -0.336 3.624 3.960 0.000 0.000 0.247 5 G C 0.485 175.385 174.900 0.000 0.000 1.012 5 G CA 0.385 45.496 45.100 0.018 0.000 0.618 5 G HN 0.536 nan 8.290 nan 0.000 0.521 6 K N 0.569 120.962 120.400 -0.011 0.000 2.281 6 K HA 0.603 4.923 4.320 0.000 0.000 0.242 6 K C 0.054 176.617 176.600 -0.062 0.000 0.971 6 K CA -0.479 55.787 56.287 -0.035 0.000 0.834 6 K CB 1.345 33.817 32.500 -0.045 0.000 1.181 6 K HN 0.042 nan 8.250 nan 0.000 0.435 7 T N 1.836 116.363 114.554 -0.045 0.000 2.933 7 T HA -0.074 4.276 4.350 0.000 0.000 0.306 7 T C -0.093 174.582 174.700 -0.042 0.000 1.045 7 T CA 0.201 62.289 62.100 -0.019 0.000 1.143 7 T CB -0.125 68.745 68.868 0.003 0.000 1.003 7 T HN 0.285 nan 8.240 nan 0.000 0.540 8 F N 4.104 123.972 119.950 -0.137 0.000 2.612 8 F HA 0.171 4.698 4.527 0.000 0.000 0.389 8 F C 0.858 176.557 175.800 -0.169 0.000 1.055 8 F CA 0.481 58.370 58.000 -0.186 0.000 1.232 8 F CB 0.195 39.056 39.000 -0.231 0.000 1.044 8 F HN 0.431 nan 8.300 nan 0.000 0.560 9 R N 5.253 125.421 120.500 -0.554 0.000 2.536 9 R HA 0.139 4.479 4.340 0.000 0.000 0.269 9 R C -1.091 175.053 176.300 -0.261 0.000 1.113 9 R CA -0.824 55.153 56.100 -0.205 0.000 0.948 9 R CB 1.371 31.665 30.300 -0.010 0.000 1.237 9 R HN 0.816 nan 8.270 nan 0.000 0.441 10 E N 1.859 122.004 120.200 -0.092 0.000 2.398 10 E HA 0.403 4.753 4.350 0.000 0.000 0.263 10 E C 0.003 176.688 176.600 0.142 0.000 1.046 10 E CA 1.064 57.501 56.400 0.061 0.000 0.908 10 E CB 0.766 30.611 29.700 0.241 0.000 0.963 10 E HN 0.807 nan 8.360 nan 0.000 0.431 11 G N 2.532 111.376 108.800 0.074 0.000 2.316 11 G HA2 -0.075 3.885 3.960 0.000 0.000 0.349 11 G HA3 -0.075 3.885 3.960 0.000 0.000 0.349 11 G C -1.232 173.380 174.900 -0.481 0.000 1.274 11 G CA -0.851 44.105 45.100 -0.239 0.000 1.018 11 G HN 0.562 nan 8.290 nan 0.000 0.486 12 R N -0.881 119.099 120.500 -0.867 0.000 2.664 12 R HA 0.803 5.143 4.340 0.000 0.000 0.286 12 R C -1.170 174.361 176.300 -1.283 0.000 0.967 12 R CA -0.448 55.185 56.100 -0.778 0.000 0.933 12 R CB 1.330 31.372 30.300 -0.431 0.000 1.146 12 R HN 0.377 nan 8.270 nan 0.000 0.468 13 F N -0.329 119.254 119.950 -0.612 0.000 2.686 13 F HA 0.466 4.993 4.527 0.000 0.000 0.311 13 F C -0.754 174.668 175.800 -0.630 0.000 1.128 13 F CA -0.945 56.633 58.000 -0.703 0.000 0.946 13 F CB 1.697 40.016 39.000 -1.136 0.000 1.336 13 F HN 0.040 nan 8.300 nan 0.000 0.457 14 V N 2.245 122.096 119.914 -0.106 0.000 2.789 14 V HA 0.599 4.719 4.120 0.000 0.000 0.311 14 V C -1.537 174.626 176.094 0.116 0.000 1.073 14 V CA -0.702 61.598 62.300 0.001 0.000 0.921 14 V CB 2.340 34.163 31.823 -0.000 0.000 1.009 14 V HN 0.578 nan 8.190 nan 0.000 0.426 15 L N 4.682 126.004 121.223 0.164 0.000 2.342 15 L HA 0.612 4.952 4.340 0.000 0.000 0.276 15 L C -0.430 176.449 176.870 0.015 0.000 0.997 15 L CA -0.185 54.722 54.840 0.111 0.000 0.838 15 L CB 1.199 43.342 42.059 0.141 0.000 1.224 15 L HN 0.566 nan 8.230 nan 0.000 0.416 16 K N 4.282 124.663 120.400 -0.032 0.000 2.234 16 K HA 0.484 4.804 4.320 0.000 0.000 0.277 16 K C -0.439 176.036 176.600 -0.208 0.000 1.038 16 K CA -0.499 55.727 56.287 -0.102 0.000 0.888 16 K CB 1.217 33.686 32.500 -0.052 0.000 1.091 16 K HN 0.513 nan 8.250 nan 0.000 0.467 17 E N 1.703 121.654 120.200 -0.415 0.000 2.334 17 E HA 0.181 4.531 4.350 0.000 0.000 0.256 17 E C 0.506 176.905 176.600 -0.335 0.000 0.958 17 E CA -0.594 55.516 56.400 -0.483 0.000 0.821 17 E CB 1.401 30.481 29.700 -1.034 0.000 1.269 17 E HN 0.345 nan 8.360 nan 0.000 0.413 18 K N 0.454 120.715 120.400 -0.232 0.000 2.001 18 K HA -0.152 4.168 4.320 0.000 0.000 0.214 18 K C 1.351 177.887 176.600 -0.107 0.000 1.050 18 K CA 1.686 57.900 56.287 -0.122 0.000 0.934 18 K CB 0.059 32.521 32.500 -0.063 0.000 0.718 18 K HN 0.255 nan 8.250 nan 0.000 0.443 19 N N -0.506 118.137 118.700 -0.095 0.000 2.395 19 N HA 0.021 4.761 4.740 0.000 0.000 0.175 19 N C 0.254 175.836 175.510 0.121 0.000 1.029 19 N CA 0.653 53.732 53.050 0.049 0.000 0.897 19 N CB 0.251 38.860 38.487 0.203 0.000 0.991 19 N HN 0.138 nan 8.380 nan 0.000 0.441 20 F N -2.027 117.916 119.950 -0.011 0.000 2.715 20 F HA 0.683 5.210 4.527 0.000 0.000 0.318 20 F C -0.966 174.822 175.800 -0.019 0.000 1.141 20 F CA -1.048 56.935 58.000 -0.028 0.000 0.950 20 F CB 1.160 40.141 39.000 -0.031 0.000 1.374 20 F HN -0.420 nan 8.300 nan 0.000 0.477 21 T N 1.641 116.311 114.554 0.194 0.000 2.921 21 T HA 0.601 4.951 4.350 0.000 0.000 0.297 21 T C -1.747 173.155 174.700 0.337 0.000 1.013 21 T CA -0.696 61.502 62.100 0.163 0.000 0.990 21 T CB 1.732 70.660 68.868 0.100 0.000 1.023 21 T HN 0.863 nan 8.240 nan 0.000 0.447 22 V N 3.302 123.374 119.914 0.263 0.000 2.588 22 V HA 0.584 4.704 4.120 0.000 0.000 0.304 22 V C -1.148 175.050 176.094 0.174 0.000 1.042 22 V CA -0.650 61.758 62.300 0.179 0.000 0.877 22 V CB 1.730 33.467 31.823 -0.143 0.000 0.996 22 V HN 0.917 nan 8.190 nan 0.000 0.425 23 E N 7.020 127.275 120.200 0.091 0.000 2.151 23 E HA 0.617 4.967 4.350 0.000 0.000 0.275 23 E C -1.332 175.328 176.600 0.099 0.000 0.936 23 E CA -0.328 56.065 56.400 -0.011 0.000 0.777 23 E CB 2.005 31.564 29.700 -0.235 0.000 1.108 23 E HN 0.643 nan 8.360 nan 0.000 0.401 24 F N -0.089 119.836 119.950 -0.041 0.000 2.662 24 F HA 0.830 5.357 4.527 0.000 0.000 0.312 24 F C -1.572 174.297 175.800 0.115 0.000 1.113 24 F CA -1.342 56.682 58.000 0.041 0.000 0.951 24 F CB 1.151 40.203 39.000 0.087 0.000 1.344 24 F HN 0.381 nan 8.300 nan 0.000 0.462 25 A N 1.229 124.213 122.820 0.272 0.000 2.393 25 A HA 0.741 5.061 4.320 0.000 0.000 0.306 25 A C -1.755 176.020 177.584 0.318 0.000 1.050 25 A CA -0.884 51.252 52.037 0.164 0.000 0.724 25 A CB 1.603 20.643 19.000 0.067 0.000 1.248 25 A HN 0.859 nan 8.150 nan 0.000 0.424 26 V N 2.586 122.679 119.914 0.298 0.000 2.304 26 V HA 0.473 4.593 4.120 0.000 0.000 0.269 26 V C 0.168 176.432 176.094 0.283 0.000 1.036 26 V CA -0.053 62.390 62.300 0.239 0.000 0.840 26 V CB 0.517 32.353 31.823 0.022 0.000 1.036 26 V HN 0.967 nan 8.190 nan 0.000 0.466 27 E N 4.192 124.595 120.200 0.338 0.000 2.212 27 E HA 0.486 4.836 4.350 0.000 0.000 0.268 27 E C -0.570 176.248 176.600 0.363 0.000 0.902 27 E CA -1.174 55.411 56.400 0.308 0.000 0.779 27 E CB 2.171 31.972 29.700 0.169 0.000 1.172 27 E HN 0.607 nan 8.360 nan 0.000 0.409 28 K N 2.053 122.574 120.400 0.201 0.000 2.368 28 K HA 0.337 4.658 4.320 0.000 0.000 0.282 28 K C 0.263 176.806 176.600 -0.096 0.000 1.035 28 K CA -0.139 56.049 56.287 -0.164 0.000 0.973 28 K CB 0.019 32.364 32.500 -0.258 0.000 0.957 28 K HN 0.691 nan 8.250 nan 0.000 0.474 29 I N -0.632 119.843 120.570 -0.159 0.000 3.294 29 I HA 0.299 4.469 4.170 0.000 0.000 0.311 29 I C 0.075 176.134 176.117 -0.096 0.000 1.111 29 I CA -1.198 60.059 61.300 -0.070 0.000 0.976 29 I CB 1.404 39.397 38.000 -0.010 0.000 1.260 29 I HN 0.572 nan 8.210 nan 0.000 0.474 30 H N 3.319 122.320 119.070 -0.115 0.000 3.046 30 H HA 0.171 4.727 4.556 0.000 0.000 0.303 30 H C 0.394 175.648 175.328 -0.123 0.000 1.002 30 H CA 0.652 56.633 56.048 -0.111 0.000 1.460 30 H CB 0.457 30.176 29.762 -0.072 0.000 1.493 30 H HN 0.775 nan 8.280 nan 0.000 0.559 31 L N 3.233 124.201 121.223 -0.425 0.000 4.937 31 L HA -0.335 4.005 4.340 0.000 0.000 0.422 31 L C 0.847 177.531 176.870 -0.310 0.000 1.059 31 L CA 0.800 55.388 54.840 -0.421 0.000 1.111 31 L CB -1.905 39.832 42.059 -0.536 0.000 2.033 31 L HN 0.939 nan 8.230 nan 0.000 0.708 32 G N -1.971 106.616 108.800 -0.355 0.000 2.552 32 G HA2 0.358 4.318 3.960 0.000 0.000 0.137 32 G HA3 0.358 4.318 3.960 0.000 0.000 0.137 32 G C -2.155 172.376 174.900 -0.615 0.000 1.135 32 G CA -0.146 44.699 45.100 -0.426 0.000 1.047 32 G HN 0.039 nan 8.290 nan 0.000 0.501 33 W N 0.295 121.613 121.300 0.030 0.000 3.033 33 W HA 0.785 5.445 4.660 0.000 0.000 0.336 33 W C -0.149 176.420 176.519 0.084 0.000 1.173 33 W CA -0.748 56.662 57.345 0.108 0.000 1.185 33 W CB 2.281 31.889 29.460 0.246 0.000 1.425 33 W HN 0.491 nan 8.180 nan 0.000 0.536 34 K N 2.125 122.738 120.400 0.355 0.000 2.507 34 K HA 0.613 4.933 4.320 0.000 0.000 0.252 34 K C -1.534 175.213 176.600 0.244 0.000 0.943 34 K CA -0.658 55.767 56.287 0.231 0.000 0.808 34 K CB 1.054 33.651 32.500 0.162 0.000 1.142 34 K HN 0.502 nan 8.250 nan 0.000 0.426 35 I N 3.520 124.209 120.570 0.198 0.000 2.321 35 I HA 0.254 4.424 4.170 0.000 0.000 0.291 35 I C -0.285 175.964 176.117 0.221 0.000 0.998 35 I CA 0.082 61.513 61.300 0.217 0.000 1.227 35 I CB 1.578 39.658 38.000 0.133 0.000 1.368 35 I HN 0.647 nan 8.210 nan 0.000 0.466 36 S N 3.458 119.313 115.700 0.260 0.000 2.607 36 S HA 1.019 5.489 4.470 0.000 0.000 0.273 36 S C -0.402 174.335 174.600 0.229 0.000 1.148 36 S CA -0.188 58.142 58.200 0.216 0.000 0.833 36 S CB 2.225 65.518 63.200 0.154 0.000 1.130 36 S HN 1.081 nan 8.310 nan 0.000 0.470 37 G N 0.697 109.597 108.800 0.166 0.000 2.455 37 G HA2 0.538 4.498 3.960 0.000 0.000 0.223 37 G HA3 0.538 4.498 3.960 0.000 0.000 0.223 37 G C -1.852 173.085 174.900 0.062 0.000 1.226 37 G CA -0.286 44.884 45.100 0.117 0.000 0.948 37 G HN 1.306 nan 8.290 nan 0.000 0.478 38 R N -1.821 118.687 120.500 0.013 0.000 2.710 38 R HA 0.828 5.168 4.340 0.000 0.000 0.270 38 R C -2.117 174.274 176.300 0.151 0.000 1.021 38 R CA -0.872 55.241 56.100 0.022 0.000 0.889 38 R CB 1.923 32.154 30.300 -0.115 0.000 1.243 38 R HN 1.447 nan 8.270 nan 0.000 0.464 39 V N 1.101 121.195 119.914 0.301 0.000 3.012 39 V HA 0.672 4.792 4.120 0.000 0.000 0.307 39 V C -1.634 174.528 176.094 0.113 0.000 1.166 39 V CA -0.573 61.871 62.300 0.240 0.000 0.974 39 V CB 2.331 34.119 31.823 -0.059 0.000 1.040 39 V HN 0.966 nan 8.190 nan 0.000 0.428 40 K N 4.420 124.793 120.400 -0.044 0.000 2.509 40 K HA 0.986 5.306 4.320 0.000 0.000 0.266 40 K C 0.031 176.606 176.600 -0.042 0.000 0.987 40 K CA 0.012 56.174 56.287 -0.208 0.000 0.868 40 K CB 2.158 34.249 32.500 -0.682 0.000 1.421 40 K HN 1.915 nan 8.250 nan 0.000 0.444 41 G N 0.622 109.441 108.800 0.032 0.000 2.501 41 G HA2 -0.109 3.851 3.960 0.000 0.000 0.213 41 G HA3 -0.109 3.851 3.960 0.000 0.000 0.213 41 G C -0.955 174.023 174.900 0.130 0.000 1.158 41 G CA -0.178 44.967 45.100 0.075 0.000 1.079 41 G HN 1.472 nan 8.290 nan 0.000 0.586 42 S N 0.955 116.745 115.700 0.150 0.000 2.259 42 S HA 0.669 5.139 4.470 0.000 0.000 0.181 42 S C -1.348 173.303 174.600 0.085 0.000 1.589 42 S CA -0.058 58.209 58.200 0.113 0.000 1.234 42 S CB 2.394 65.644 63.200 0.083 0.000 1.119 42 S HN 0.617 nan 8.310 nan 0.000 0.458 43 P HA 0.148 nan 4.420 nan 0.000 0.229 43 P C 1.467 178.620 177.300 -0.244 0.000 1.160 43 P CA 1.350 64.134 63.100 -0.527 0.000 0.777 43 P CB -0.442 30.815 31.700 -0.739 0.000 0.814 44 G N 1.249 110.050 108.800 0.002 0.000 2.660 44 G HA2 -0.352 3.608 3.960 0.000 0.000 0.321 44 G HA3 -0.352 3.608 3.960 0.000 0.000 0.321 44 G C 0.084 175.039 174.900 0.092 0.000 1.246 44 G CA 0.413 45.557 45.100 0.073 0.000 1.000 44 G HN 0.603 nan 8.290 nan 0.000 0.550 45 R N 0.214 120.722 120.500 0.014 0.000 2.235 45 R HA 0.538 4.878 4.340 0.000 0.000 0.338 45 R C -0.684 175.659 176.300 0.071 0.000 1.087 45 R CA -0.711 55.385 56.100 -0.006 0.000 0.948 45 R CB 0.162 30.384 30.300 -0.129 0.000 1.099 45 R HN 0.483 nan 8.270 nan 0.000 0.483 46 L N 3.968 125.255 121.223 0.107 0.000 2.257 46 L HA 0.265 4.605 4.340 0.000 0.000 0.290 46 L C -0.197 176.729 176.870 0.093 0.000 1.044 46 L CA 0.020 54.898 54.840 0.064 0.000 0.810 46 L CB 1.379 43.474 42.059 0.060 0.000 1.193 46 L HN 0.602 nan 8.230 nan 0.000 0.425 47 E N 3.362 123.585 120.200 0.038 0.000 2.290 47 E HA 0.152 4.502 4.350 0.000 0.000 0.277 47 E C -0.090 176.260 176.600 -0.417 0.000 1.035 47 E CA -0.198 56.028 56.400 -0.290 0.000 0.873 47 E CB 1.117 30.668 29.700 -0.248 0.000 1.029 47 E HN 0.652 nan 8.360 nan 0.000 0.419 48 V N 5.251 124.777 119.914 -0.647 0.000 2.908 48 V HA 0.179 4.299 4.120 0.000 0.000 0.240 48 V C 0.526 176.104 176.094 -0.860 0.000 1.117 48 V CA 0.190 61.835 62.300 -1.092 0.000 1.133 48 V CB 0.266 31.694 31.823 -0.659 0.000 0.857 48 V HN 0.585 nan 8.190 nan 0.000 0.478 49 L N 0.193 121.080 121.223 -0.560 0.000 2.434 49 L HA 0.684 5.024 4.340 0.000 0.000 0.260 49 L C -0.878 175.793 176.870 -0.332 0.000 0.983 49 L CA -0.560 54.057 54.840 -0.373 0.000 0.820 49 L CB 2.463 44.375 42.059 -0.244 0.000 1.361 49 L HN 0.090 nan 8.230 nan 0.000 0.410 50 R N 2.043 122.407 120.500 -0.227 0.000 2.604 50 R HA 0.746 5.086 4.340 0.000 0.000 0.281 50 R C -1.544 174.684 176.300 -0.120 0.000 1.020 50 R CA -0.188 55.800 56.100 -0.185 0.000 0.899 50 R CB 2.269 32.475 30.300 -0.157 0.000 1.205 50 R HN 0.779 nan 8.270 nan 0.000 0.450 51 T N 1.416 115.902 114.554 -0.113 0.000 2.700 51 T HA 0.192 4.543 4.350 0.000 0.000 0.307 51 T C -1.735 172.934 174.700 -0.052 0.000 1.580 51 T CA -0.793 61.266 62.100 -0.069 0.000 0.992 51 T CB 1.165 70.002 68.868 -0.050 0.000 1.577 51 T HN 0.566 nan 8.240 nan 0.000 0.496 52 K N 1.789 122.182 120.400 -0.011 0.000 2.383 52 K HA 0.617 4.937 4.320 0.000 0.000 0.286 52 K C 0.369 176.988 176.600 0.032 0.000 1.051 52 K CA -0.126 56.178 56.287 0.028 0.000 0.974 52 K CB 0.220 32.748 32.500 0.047 0.000 0.968 52 K HN 0.738 nan 8.250 nan 0.000 0.475 53 A N 6.573 129.426 122.820 0.055 0.000 2.584 53 A HA 0.098 4.418 4.320 0.000 0.000 0.239 53 A C -2.030 175.596 177.584 0.070 0.000 1.043 53 A CA -0.816 51.226 52.037 0.009 0.000 0.756 53 A CB -0.510 18.499 19.000 0.015 0.000 0.963 53 A HN 0.655 nan 8.150 nan 0.000 0.511 54 P HA 0.210 nan 4.420 nan 0.000 0.276 54 P C 0.300 177.492 177.300 -0.181 0.000 1.261 54 P CA -0.265 62.828 63.100 -0.011 0.000 0.800 54 P CB 0.725 32.414 31.700 -0.018 0.000 1.066 55 E N -0.435 119.741 120.200 -0.040 0.000 2.072 55 E HA -0.048 4.302 4.350 0.000 0.000 0.190 55 E C 0.154 176.643 176.600 -0.186 0.000 0.982 55 E CA 1.094 57.433 56.400 -0.102 0.000 0.803 55 E CB 0.084 29.875 29.700 0.152 0.000 0.755 55 E HN 0.274 nan 8.360 nan 0.000 0.453 56 K N 0.967 121.314 120.400 -0.089 0.000 2.323 56 K HA 0.344 4.664 4.320 0.000 0.000 0.259 56 K C -0.811 175.750 176.600 -0.065 0.000 0.947 56 K CA -0.607 55.643 56.287 -0.063 0.000 0.819 56 K CB 2.042 34.537 32.500 -0.007 0.000 1.109 56 K HN -0.070 nan 8.250 nan 0.000 0.429 57 V N 0.372 120.242 119.914 -0.073 0.000 2.760 57 V HA 0.462 4.583 4.120 0.000 0.000 0.309 57 V C -0.507 175.569 176.094 -0.031 0.000 1.077 57 V CA -1.325 60.933 62.300 -0.069 0.000 0.910 57 V CB 1.887 33.631 31.823 -0.133 0.000 1.008 57 V HN 0.585 nan 8.190 nan 0.000 0.424 58 L N 5.878 127.106 121.223 0.008 0.000 2.369 58 L HA 0.646 4.986 4.340 0.000 0.000 0.279 58 L C 0.154 177.014 176.870 -0.015 0.000 1.108 58 L CA 0.448 55.322 54.840 0.057 0.000 0.852 58 L CB 0.949 43.099 42.059 0.150 0.000 1.169 58 L HN 0.902 nan 8.230 nan 0.000 0.452 59 V N 2.588 122.471 119.914 -0.052 0.000 3.019 59 V HA 0.737 4.857 4.120 0.000 0.000 0.317 59 V C -0.723 175.281 176.094 -0.152 0.000 1.094 59 V CA -0.808 61.399 62.300 -0.155 0.000 1.000 59 V CB 2.040 33.790 31.823 -0.123 0.000 1.060 59 V HN 0.895 nan 8.190 nan 0.000 0.443 60 N N 2.015 120.569 118.700 -0.244 0.000 2.454 60 N HA 0.301 5.041 4.740 0.000 0.000 0.291 60 N C -1.025 174.449 175.510 -0.060 0.000 1.079 60 N CA -0.460 52.474 53.050 -0.192 0.000 0.893 60 N CB 1.658 39.792 38.487 -0.589 0.000 1.512 60 N HN 1.011 nan 8.380 nan 0.000 0.497 61 N N 2.513 121.238 118.700 0.043 0.000 2.453 61 N HA -0.015 4.725 4.740 0.000 0.000 0.253 61 N C 1.059 176.706 175.510 0.228 0.000 1.252 61 N CA -0.122 53.005 53.050 0.128 0.000 0.917 61 N CB 0.474 39.035 38.487 0.123 0.000 1.117 61 N HN 0.754 nan 8.380 nan 0.000 0.442 62 W N 3.158 124.428 121.300 -0.050 0.000 2.465 62 W HA -0.021 4.639 4.660 0.000 0.000 0.268 62 W C -0.073 176.567 176.519 0.203 0.000 1.242 62 W CA 0.139 57.485 57.345 0.002 0.000 1.248 62 W CB -0.800 28.629 29.460 -0.051 0.000 1.118 62 W HN 0.502 nan 8.180 nan 0.000 0.587 63 Q N -0.515 119.159 119.800 -0.209 0.000 2.496 63 Q HA 0.492 4.832 4.340 0.000 0.000 0.286 63 Q C 0.913 176.756 176.000 -0.262 0.000 1.103 63 Q CA -0.439 55.095 55.803 -0.448 0.000 0.813 63 Q CB 1.277 29.443 28.738 -0.954 0.000 1.444 63 Q HN -0.183 nan 8.270 nan 0.000 0.443 64 S N -0.152 115.314 115.700 -0.389 0.000 2.390 64 S HA -0.173 4.297 4.470 0.000 0.000 0.234 64 S C 0.840 175.361 174.600 -0.132 0.000 1.063 64 S CA 2.088 60.087 58.200 -0.335 0.000 1.108 64 S CB -0.419 62.414 63.200 -0.613 0.000 0.975 64 S HN 0.689 nan 8.310 nan 0.000 0.442 65 W N 1.671 122.886 121.300 -0.141 0.000 3.003 65 W HA 0.404 5.064 4.660 0.000 0.000 0.257 65 W C 1.300 177.748 176.519 -0.118 0.000 1.308 65 W CA -0.472 56.787 57.345 -0.144 0.000 1.529 65 W CB -1.363 27.966 29.460 -0.219 0.000 1.115 65 W HN 0.225 nan 8.180 nan 0.000 0.659 66 G N 2.173 111.028 108.800 0.093 0.000 2.476 66 G HA2 0.363 4.323 3.960 0.000 0.000 0.269 66 G HA3 0.363 4.323 3.960 0.000 0.000 0.269 66 G C -2.447 172.479 174.900 0.044 0.000 1.195 66 G CA -0.919 44.215 45.100 0.056 0.000 0.843 66 G HN -0.305 nan 8.290 nan 0.000 0.545 67 P HA 0.197 nan 4.420 nan 0.000 0.271 67 P C -0.628 176.696 177.300 0.040 0.000 1.218 67 P CA -0.306 62.791 63.100 -0.005 0.000 0.780 67 P CB 1.339 32.988 31.700 -0.085 0.000 0.901 68 C N 5.449 124.794 119.300 0.075 0.000 2.344 68 C HA 0.703 5.163 4.460 0.000 0.000 0.326 68 C C -0.238 174.829 174.990 0.129 0.000 1.201 68 C CA -0.261 58.828 59.018 0.118 0.000 1.410 68 C CB -0.656 27.204 27.740 0.198 0.000 2.070 68 C HN 0.816 nan 8.230 nan 0.000 0.445 69 R N 3.885 124.446 120.500 0.102 0.000 2.692 69 R HA 0.727 5.067 4.340 0.000 0.000 0.269 69 R C -1.930 174.426 176.300 0.093 0.000 1.030 69 R CA -0.824 55.345 56.100 0.115 0.000 0.882 69 R CB 0.831 31.174 30.300 0.071 0.000 1.250 69 R HN 0.288 nan 8.270 nan 0.000 0.465 70 V N 1.570 121.551 119.914 0.112 0.000 2.583 70 V HA 0.427 4.548 4.120 0.000 0.000 0.287 70 V C -0.257 175.868 176.094 0.051 0.000 1.051 70 V CA -0.363 61.984 62.300 0.078 0.000 1.010 70 V CB 1.367 33.246 31.823 0.094 0.000 0.988 70 V HN 0.505 nan 8.190 nan 0.000 0.478 71 V N 2.966 122.891 119.914 0.019 0.000 2.808 71 V HA 0.316 4.436 4.120 0.000 0.000 0.308 71 V C -0.785 175.299 176.094 -0.017 0.000 1.099 71 V CA -0.811 61.496 62.300 0.012 0.000 0.920 71 V CB 2.389 34.218 31.823 0.009 0.000 1.014 71 V HN 0.973 nan 8.190 nan 0.000 0.425 72 D N 3.429 123.831 120.400 0.002 0.000 2.346 72 D HA 0.365 5.005 4.640 0.000 0.000 0.260 72 D C 1.028 177.287 176.300 -0.069 0.000 1.252 72 D CA 0.563 54.549 54.000 -0.024 0.000 0.895 72 D CB 1.802 42.623 40.800 0.034 0.000 1.097 72 D HN 0.655 nan 8.370 nan 0.000 0.489 73 A N 3.699 126.364 122.820 -0.259 0.000 1.972 73 A HA -0.151 4.169 4.320 0.000 0.000 0.219 73 A C 1.495 178.896 177.584 -0.304 0.000 1.169 73 A CA 1.009 52.803 52.037 -0.405 0.000 0.635 73 A CB -0.506 18.041 19.000 -0.754 0.000 0.810 73 A HN 0.613 nan 8.150 nan 0.000 0.446 74 F N 0.105 120.090 119.950 0.059 0.000 2.698 74 F HA 0.102 4.629 4.527 0.000 0.000 0.295 74 F C 1.769 177.617 175.800 0.080 0.000 1.124 74 F CA 0.589 58.626 58.000 0.061 0.000 1.426 74 F CB -0.009 39.014 39.000 0.037 0.000 1.120 74 F HN 0.202 nan 8.300 nan 0.000 0.583 75 S N -0.474 115.352 115.700 0.209 0.000 2.484 75 S HA 0.223 4.693 4.470 0.000 0.000 0.242 75 S C -0.231 174.453 174.600 0.140 0.000 1.158 75 S CA -0.550 57.740 58.200 0.150 0.000 1.162 75 S CB -1.237 62.025 63.200 0.104 0.000 0.850 75 S HN 0.135 nan 8.310 nan 0.000 0.477 76 F N 3.699 123.666 119.950 0.028 0.000 2.456 76 F HA 0.465 4.993 4.527 0.000 0.000 0.358 76 F C 0.069 175.877 175.800 0.014 0.000 1.095 76 F CA -0.337 57.668 58.000 0.008 0.000 1.216 76 F CB 0.784 39.780 39.000 -0.006 0.000 1.125 76 F HN 0.153 nan 8.300 nan 0.000 0.549 77 K N 4.745 124.648 120.400 -0.829 0.000 2.270 77 K HA 0.619 4.939 4.320 0.000 0.000 0.255 77 K C -3.098 172.733 176.600 -1.282 0.000 0.936 77 K CA -2.217 53.597 56.287 -0.788 0.000 0.809 77 K CB 0.827 33.116 32.500 -0.351 0.000 1.131 77 K HN 0.530 nan 8.250 nan 0.000 0.427 78 P HA 0.153 nan 4.420 nan 0.000 0.264 78 P C -2.088 175.053 177.300 -0.264 0.000 1.193 78 P CA -0.613 62.243 63.100 -0.408 0.000 0.763 78 P CB -0.298 31.353 31.700 -0.082 0.000 0.810 79 P HA 0.078 nan 4.420 nan 0.000 0.276 79 P C -0.461 176.808 177.300 -0.051 0.000 1.244 79 P CA -0.103 62.946 63.100 -0.086 0.000 0.801 79 P CB 0.747 32.429 31.700 -0.030 0.000 1.006 80 E N 1.228 121.401 120.200 -0.045 0.000 2.259 80 E HA 0.247 4.598 4.350 0.000 0.000 0.281 80 E C -0.224 176.366 176.600 -0.017 0.000 1.037 80 E CA -0.478 55.905 56.400 -0.028 0.000 0.854 80 E CB -0.201 29.485 29.700 -0.024 0.000 1.051 80 E HN 0.326 nan 8.360 nan 0.000 0.409 81 I N 3.922 124.483 120.570 -0.016 0.000 2.325 81 I HA 0.167 4.337 4.170 0.000 0.000 0.291 81 I C 0.645 176.766 176.117 0.006 0.000 1.019 81 I CA -0.495 60.798 61.300 -0.012 0.000 1.302 81 I CB 1.209 39.184 38.000 -0.041 0.000 1.401 81 I HN 0.519 nan 8.210 nan 0.000 0.485 82 D N 10.009 130.437 120.400 0.047 0.000 2.451 82 D HA -0.000 4.640 4.640 0.000 0.000 0.254 82 D C -1.404 174.939 176.300 0.071 0.000 1.204 82 D CA -1.546 52.510 54.000 0.093 0.000 0.896 82 D CB 1.229 42.148 40.800 0.198 0.000 1.136 82 D HN 0.279 nan 8.370 nan 0.000 0.499 83 P HA -0.065 nan 4.420 nan 0.000 0.229 83 P C 0.582 177.852 177.300 -0.051 0.000 1.160 83 P CA 0.398 63.484 63.100 -0.024 0.000 0.777 83 P CB 0.411 32.098 31.700 -0.023 0.000 0.814 84 N N -1.248 117.413 118.700 -0.064 0.000 2.459 84 N HA -0.101 4.639 4.740 0.000 0.000 0.181 84 N C 0.309 175.500 175.510 -0.532 0.000 1.046 84 N CA 0.853 53.733 53.050 -0.283 0.000 0.904 84 N CB -0.370 37.935 38.487 -0.304 0.000 0.964 84 N HN 0.389 nan 8.380 nan 0.000 0.444 85 W N -0.116 121.235 121.300 0.085 0.000 1.190 85 W HA 0.386 5.046 4.660 0.000 0.000 0.276 85 W C 1.479 177.978 176.519 -0.034 0.000 0.867 85 W CA -0.863 56.527 57.345 0.075 0.000 2.129 85 W CB 0.163 29.646 29.460 0.039 0.000 1.207 85 W HN -0.134 nan 8.180 nan 0.000 0.477 86 R N 0.048 120.561 120.500 0.021 0.000 2.094 86 R HA -0.226 4.115 4.340 0.000 0.000 0.239 86 R C 1.098 177.239 176.300 -0.265 0.000 1.137 86 R CA 2.091 58.047 56.100 -0.240 0.000 0.943 86 R CB -0.278 29.685 30.300 -0.561 0.000 0.850 86 R HN 0.266 nan 8.270 nan 0.000 0.433 87 Y N 0.028 120.415 120.300 0.144 0.000 2.490 87 Y HA 0.016 4.566 4.550 0.000 0.000 0.281 87 Y C 2.314 178.293 175.900 0.132 0.000 1.174 87 Y CA 1.043 59.237 58.100 0.156 0.000 1.295 87 Y CB -0.088 38.560 38.460 0.312 0.000 1.062 87 Y HN 0.284 nan 8.280 nan 0.000 0.522 88 T N -3.347 111.200 114.554 -0.013 0.000 2.904 88 T HA -0.048 4.302 4.350 0.000 0.000 0.267 88 T C 2.162 176.969 174.700 0.178 0.000 1.059 88 T CA 0.901 62.949 62.100 -0.086 0.000 1.137 88 T CB -0.343 68.430 68.868 -0.158 0.000 0.879 88 T HN 0.249 nan 8.240 nan 0.000 0.467 89 A N 0.669 123.557 122.820 0.114 0.000 1.897 89 A HA 0.440 4.760 4.320 0.000 0.000 0.215 89 A C 1.434 179.034 177.584 0.026 0.000 1.181 89 A CA 0.817 52.893 52.037 0.064 0.000 0.620 89 A CB -0.281 18.724 19.000 0.009 0.000 0.821 89 A HN 0.558 nan 8.150 nan 0.000 0.443 90 S N -2.930 112.736 115.700 -0.056 0.000 2.542 90 S HA 0.319 4.789 4.470 0.000 0.000 0.276 90 S C -0.005 174.338 174.600 -0.427 0.000 1.148 90 S CA 0.064 58.059 58.200 -0.341 0.000 0.886 90 S CB 1.576 64.606 63.200 -0.283 0.000 1.109 90 S HN 0.565 nan 8.310 nan 0.000 0.458 91 V N 4.123 123.409 119.914 -1.045 0.000 3.306 91 V HA 0.190 4.310 4.120 0.000 0.000 0.264 91 V C 0.491 176.341 176.094 -0.407 0.000 1.149 91 V CA 1.679 63.483 62.300 -0.826 0.000 1.143 91 V CB 0.432 31.294 31.823 -1.602 0.000 0.767 91 V HN 0.890 nan 8.190 nan 0.000 0.476 92 V N -1.656 117.946 119.914 -0.520 0.000 2.320 92 V HA 0.521 4.641 4.120 0.000 0.000 0.257 92 V C -1.439 174.459 176.094 -0.326 0.000 0.996 92 V CA -1.219 60.824 62.300 -0.428 0.000 0.928 92 V CB 0.493 31.878 31.823 -0.730 0.000 1.169 92 V HN 0.225 nan 8.190 nan 0.000 0.475 93 P HA -0.107 nan 4.420 nan 0.000 0.226 93 P C 1.208 178.439 177.300 -0.115 0.000 1.153 93 P CA 1.416 64.425 63.100 -0.151 0.000 0.777 93 P CB 0.254 31.867 31.700 -0.144 0.000 0.794 94 D N 0.166 120.499 120.400 -0.111 0.000 2.182 94 D HA -0.111 4.529 4.640 0.000 0.000 0.201 94 D C 1.686 177.936 176.300 -0.085 0.000 0.986 94 D CA 1.014 54.964 54.000 -0.083 0.000 0.847 94 D CB -0.903 39.850 40.800 -0.079 0.000 0.942 94 D HN 0.070 nan 8.370 nan 0.000 0.467 95 V N 1.056 120.884 119.914 -0.142 0.000 2.283 95 V HA -0.199 3.921 4.120 0.000 0.000 0.243 95 V C 2.631 178.687 176.094 -0.063 0.000 1.039 95 V CA 1.058 63.286 62.300 -0.120 0.000 1.016 95 V CB -0.681 31.005 31.823 -0.228 0.000 0.650 95 V HN 0.138 nan 8.190 nan 0.000 0.449 96 L N 0.431 121.604 121.223 -0.083 0.000 2.187 96 L HA -0.161 4.179 4.340 0.000 0.000 0.213 96 L C 2.217 179.153 176.870 0.110 0.000 1.100 96 L CA 1.790 56.633 54.840 0.005 0.000 0.765 96 L CB -0.819 41.221 42.059 -0.031 0.000 0.904 96 L HN 0.403 nan 8.230 nan 0.000 0.437 97 E N -1.293 118.933 120.200 0.044 0.000 2.347 97 E HA -0.134 4.216 4.350 0.000 0.000 0.196 97 E C 1.924 178.581 176.600 0.095 0.000 1.008 97 E CA 0.666 57.097 56.400 0.052 0.000 0.852 97 E CB 0.169 29.873 29.700 0.005 0.000 0.783 97 E HN 0.508 nan 8.360 nan 0.000 0.505 98 R N -0.810 119.763 120.500 0.122 0.000 2.320 98 R HA 0.190 4.530 4.340 0.000 0.000 0.193 98 R C 0.088 176.536 176.300 0.245 0.000 0.885 98 R CA 0.191 56.377 56.100 0.144 0.000 1.085 98 R CB 0.577 30.920 30.300 0.072 0.000 1.253 98 R HN -0.017 nan 8.270 nan 0.000 0.636 99 N N 0.308 119.087 118.700 0.132 0.000 2.265 99 N HA 0.235 4.975 4.740 0.000 0.000 0.300 99 N C -1.685 173.452 175.510 -0.623 0.000 1.148 99 N CA -0.762 52.233 53.050 -0.091 0.000 0.772 99 N CB 2.188 40.643 38.487 -0.054 0.000 1.434 99 N HN -0.150 nan 8.380 nan 0.000 0.481 100 L N 1.619 122.077 121.223 -1.274 0.000 2.559 100 L HA 0.047 4.387 4.340 0.000 0.000 0.274 100 L C -0.074 176.513 176.870 -0.473 0.000 1.205 100 L CA 0.923 54.996 54.840 -1.279 0.000 0.907 100 L CB -0.118 41.377 42.059 -0.940 0.000 1.153 100 L HN 0.586 nan 8.230 nan 0.000 0.490 101 Q N 3.329 122.940 119.800 -0.315 0.000 2.377 101 Q HA 0.622 4.962 4.340 0.000 0.000 0.271 101 Q C -1.461 174.509 176.000 -0.051 0.000 1.077 101 Q CA -0.665 55.087 55.803 -0.085 0.000 0.820 101 Q CB 1.789 30.474 28.738 -0.088 0.000 1.347 101 Q HN 0.716 nan 8.270 nan 0.000 0.444 102 S N 2.535 118.270 115.700 0.059 0.000 2.619 102 S HA 0.340 4.811 4.470 0.000 0.000 0.280 102 S C -1.666 173.006 174.600 0.119 0.000 1.150 102 S CA -0.762 57.444 58.200 0.010 0.000 0.978 102 S CB 1.072 64.219 63.200 -0.087 0.000 1.041 102 S HN 0.663 nan 8.310 nan 0.000 0.485 103 D N 3.312 123.698 120.400 -0.023 0.000 2.210 103 D HA 0.369 5.009 4.640 0.000 0.000 0.249 103 D C 0.119 176.369 176.300 -0.084 0.000 1.078 103 D CA 0.168 54.072 54.000 -0.160 0.000 0.875 103 D CB 0.702 41.307 40.800 -0.325 0.000 1.175 103 D HN 0.636 nan 8.370 nan 0.000 0.440 104 Y N -0.675 119.820 120.300 0.326 0.000 2.768 104 Y HA -0.326 4.224 4.550 0.000 0.000 0.480 104 Y C 0.346 176.731 175.900 0.808 0.000 1.271 104 Y CA 0.913 59.329 58.100 0.527 0.000 2.593 104 Y CB -2.018 36.797 38.460 0.592 0.000 0.968 104 Y HN 0.582 nan 8.280 nan 0.000 0.531 105 F N -1.032 119.267 119.950 0.581 0.000 2.668 105 F HA 0.749 5.276 4.527 0.000 0.000 0.309 105 F C -0.985 174.687 175.800 -0.213 0.000 1.117 105 F CA -1.494 56.591 58.000 0.141 0.000 0.951 105 F CB 1.551 40.477 39.000 -0.124 0.000 1.323 105 F HN 0.136 nan 8.300 nan 0.000 0.451 106 V N -0.558 119.095 119.914 -0.435 0.000 3.007 106 V HA 1.029 5.149 4.120 0.000 0.000 0.311 106 V C -0.873 175.191 176.094 -0.050 0.000 1.120 106 V CA -0.805 61.291 62.300 -0.341 0.000 0.980 106 V CB 0.947 32.414 31.823 -0.593 0.000 1.033 106 V HN 1.688 nan 8.190 nan 0.000 0.429 107 A N 2.455 125.282 122.820 0.011 0.000 2.414 107 A HA 0.916 5.236 4.320 0.000 0.000 0.306 107 A C -0.550 177.036 177.584 0.003 0.000 1.054 107 A CA -0.462 51.581 52.037 0.011 0.000 0.724 107 A CB 1.685 20.692 19.000 0.011 0.000 1.267 107 A HN 1.221 nan 8.150 nan 0.000 0.418 108 E N 0.857 121.060 120.200 0.004 0.000 2.355 108 E HA 0.575 4.925 4.350 0.000 0.000 0.261 108 E C -0.628 175.969 176.600 -0.005 0.000 0.943 108 E CA -0.927 55.475 56.400 0.004 0.000 0.806 108 E CB 0.854 30.565 29.700 0.018 0.000 1.286 108 E HN 0.376 nan 8.360 nan 0.000 0.424 109 E N -0.011 120.190 120.200 0.003 0.000 2.498 109 E HA 0.164 4.514 4.350 0.000 0.000 0.252 109 E C 0.690 177.280 176.600 -0.017 0.000 1.025 109 E CA 1.830 58.229 56.400 -0.000 0.000 0.938 109 E CB -0.096 29.610 29.700 0.010 0.000 0.947 109 E HN 0.825 nan 8.360 nan 0.000 0.478 110 G N 4.038 112.817 108.800 -0.035 0.000 2.176 110 G HA2 -0.240 3.720 3.960 0.000 0.000 0.253 110 G HA3 -0.240 3.720 3.960 0.000 0.000 0.253 110 G C 0.094 174.939 174.900 -0.091 0.000 0.979 110 G CA 0.354 45.422 45.100 -0.053 0.000 0.641 110 G HN 0.475 nan 8.290 nan 0.000 0.530 111 K N -0.303 120.030 120.400 -0.111 0.000 2.525 111 K HA 0.630 4.950 4.320 0.000 0.000 0.254 111 K C -1.230 175.229 176.600 -0.236 0.000 0.934 111 K CA -0.592 55.572 56.287 -0.204 0.000 0.802 111 K CB 3.015 35.405 32.500 -0.184 0.000 1.295 111 K HN 0.170 nan 8.250 nan 0.000 0.433 112 V N 3.682 123.384 119.914 -0.354 0.000 2.577 112 V HA 0.416 4.536 4.120 0.000 0.000 0.303 112 V C -1.424 174.389 176.094 -0.469 0.000 1.042 112 V CA -0.896 61.207 62.300 -0.328 0.000 0.872 112 V CB 1.395 33.033 31.823 -0.309 0.000 0.998 112 V HN 0.585 nan 8.190 nan 0.000 0.423 113 Y N 2.238 122.387 120.300 -0.252 0.000 2.341 113 Y HA 0.815 5.365 4.550 0.000 0.000 0.337 113 Y C 0.711 176.479 175.900 -0.220 0.000 1.014 113 Y CA -0.584 57.389 58.100 -0.213 0.000 1.111 113 Y CB 2.317 40.627 38.460 -0.251 0.000 1.194 113 Y HN 0.752 nan 8.280 nan 0.000 0.462 114 G N 2.520 111.331 108.800 0.017 0.000 2.768 114 G HA2 0.524 4.484 3.960 0.000 0.000 0.297 114 G HA3 0.524 4.484 3.960 0.000 0.000 0.297 114 G C -1.874 173.162 174.900 0.226 0.000 1.430 114 G CA -0.774 44.349 45.100 0.039 0.000 1.030 114 G HN 0.322 nan 8.290 nan 0.000 0.553 115 F N 0.889 121.137 119.950 0.496 0.000 2.375 115 F HA 0.394 4.921 4.527 0.000 0.000 0.333 115 F C 1.626 177.659 175.800 0.389 0.000 1.104 115 F CA -0.615 57.604 58.000 0.365 0.000 1.149 115 F CB 1.686 40.840 39.000 0.256 0.000 1.190 115 F HN 0.232 nan 8.300 nan 0.000 0.533 116 L N 1.179 122.636 121.223 0.389 0.000 2.529 116 L HA 0.158 4.499 4.340 0.000 0.000 0.223 116 L C 0.242 177.125 176.870 0.022 0.000 1.113 116 L CA 0.199 55.123 54.840 0.141 0.000 0.861 116 L CB -0.490 41.614 42.059 0.074 0.000 1.012 116 L HN 0.675 nan 8.230 nan 0.000 0.461 117 S N -2.477 113.283 115.700 0.100 0.000 2.588 117 S HA 0.433 4.903 4.470 0.000 0.000 0.269 117 S C -0.534 174.085 174.600 0.033 0.000 1.157 117 S CA -0.657 57.548 58.200 0.008 0.000 0.824 117 S CB 2.221 65.431 63.200 0.016 0.000 1.126 117 S HN -0.126 nan 8.310 nan 0.000 0.464 118 S N 0.118 115.821 115.700 0.006 0.000 2.293 118 S HA 0.395 4.865 4.470 0.000 0.000 0.154 118 S C 0.092 174.748 174.600 0.093 0.000 1.602 118 S CA -0.697 57.541 58.200 0.063 0.000 1.260 118 S CB -0.170 63.114 63.200 0.140 0.000 1.270 118 S HN 0.693 nan 8.310 nan 0.000 0.416 119 K N 1.917 122.367 120.400 0.082 0.000 2.202 119 K HA 0.340 4.660 4.320 0.000 0.000 0.201 119 K C 1.059 177.737 176.600 0.130 0.000 1.051 119 K CA 0.757 57.105 56.287 0.101 0.000 0.977 119 K CB 0.298 32.844 32.500 0.078 0.000 0.792 119 K HN 0.495 nan 8.250 nan 0.000 0.469 120 I N 0.015 120.659 120.570 0.124 0.000 3.570 120 I HA 0.116 4.286 4.170 0.000 0.000 0.270 120 I C 0.629 176.823 176.117 0.129 0.000 1.162 120 I CA -0.216 61.193 61.300 0.182 0.000 1.413 120 I CB 0.439 38.572 38.000 0.222 0.000 1.437 120 I HN -0.074 nan 8.210 nan 0.000 0.457 121 A N 0.184 122.953 122.820 -0.085 0.000 2.279 121 A HA 0.379 4.699 4.320 0.000 0.000 0.303 121 A C -0.817 176.753 177.584 -0.023 0.000 1.108 121 A CA -0.038 51.811 52.037 -0.314 0.000 0.830 121 A CB 0.026 18.452 19.000 -0.957 0.000 1.106 121 A HN 0.385 nan 8.150 nan 0.000 0.493 122 H N 1.437 120.502 119.070 -0.008 0.000 2.652 122 H HA 0.503 5.059 4.556 0.000 0.000 0.298 122 H C -2.655 172.620 175.328 -0.089 0.000 1.076 122 H CA -1.836 54.254 56.048 0.070 0.000 1.360 122 H CB 0.778 30.618 29.762 0.130 0.000 1.421 122 H HN 0.265 nan 8.280 nan 0.000 0.464 123 P HA 0.197 nan 4.420 nan 0.000 0.293 123 P C -1.334 175.604 177.300 -0.603 0.000 1.300 123 P CA -0.376 62.195 63.100 -0.881 0.000 0.792 123 P CB 0.391 31.326 31.700 -1.276 0.000 0.925 124 F N 1.289 120.871 119.950 -0.614 0.000 2.664 124 F HA 0.779 5.306 4.527 0.000 0.000 0.317 124 F C -1.801 173.807 175.800 -0.320 0.000 1.108 124 F CA -1.751 56.062 58.000 -0.310 0.000 0.957 124 F CB 0.895 39.792 39.000 -0.172 0.000 1.365 124 F HN -0.005 nan 8.300 nan 0.000 0.475 125 F N 1.211 121.169 119.950 0.014 0.000 2.546 125 F HA 0.858 5.385 4.527 0.000 0.000 0.320 125 F C 0.079 175.911 175.800 0.053 0.000 1.076 125 F CA -0.939 57.012 58.000 -0.082 0.000 0.928 125 F CB 2.044 40.983 39.000 -0.103 0.000 1.189 125 F HN 0.893 nan 8.300 nan 0.000 0.465 126 A N 1.312 124.237 122.820 0.176 0.000 2.401 126 A HA 0.804 5.124 4.320 0.000 0.000 0.310 126 A C -1.574 176.027 177.584 0.029 0.000 1.075 126 A CA -0.763 51.358 52.037 0.139 0.000 0.746 126 A CB 1.502 20.651 19.000 0.249 0.000 1.277 126 A HN 0.512 nan 8.150 nan 0.000 0.425 127 V N 2.406 122.288 119.914 -0.054 0.000 2.304 127 V HA 0.260 4.380 4.120 0.000 0.000 0.269 127 V C -0.244 175.846 176.094 -0.007 0.000 1.036 127 V CA -0.085 62.180 62.300 -0.059 0.000 0.840 127 V CB 0.475 32.223 31.823 -0.124 0.000 1.036 127 V HN 0.879 nan 8.190 nan 0.000 0.466 128 E N 3.676 123.895 120.200 0.031 0.000 2.063 128 E HA 0.292 4.642 4.350 0.000 0.000 0.265 128 E C -0.315 176.324 176.600 0.064 0.000 0.919 128 E CA -0.445 55.988 56.400 0.055 0.000 0.756 128 E CB 0.798 30.539 29.700 0.069 0.000 1.120 128 E HN 0.718 nan 8.360 nan 0.000 0.414 129 D N 2.878 123.328 120.400 0.084 0.000 2.697 129 D HA -0.211 4.429 4.640 0.000 0.000 0.238 129 D C 0.808 177.166 176.300 0.096 0.000 1.152 129 D CA 1.702 55.753 54.000 0.085 0.000 0.666 129 D CB -1.066 39.767 40.800 0.054 0.000 1.037 129 D HN 0.901 nan 8.370 nan 0.000 0.423 130 G N -0.228 108.682 108.800 0.183 0.000 2.176 130 G HA2 -0.310 3.650 3.960 0.000 0.000 0.253 130 G HA3 -0.310 3.650 3.960 0.000 0.000 0.253 130 G C 0.120 175.134 174.900 0.189 0.000 0.979 130 G CA 0.424 45.683 45.100 0.265 0.000 0.641 130 G HN 0.558 nan 8.290 nan 0.000 0.530 131 E N -0.525 119.731 120.200 0.093 0.000 2.212 131 E HA 0.594 4.944 4.350 0.000 0.000 0.268 131 E C -0.789 175.797 176.600 -0.024 0.000 0.902 131 E CA -1.036 55.379 56.400 0.024 0.000 0.779 131 E CB 2.335 32.032 29.700 -0.005 0.000 1.172 131 E HN 0.153 nan 8.360 nan 0.000 0.409 132 L N 3.362 124.537 121.223 -0.080 0.000 2.276 132 L HA 0.309 4.649 4.340 0.000 0.000 0.286 132 L C -1.270 175.500 176.870 -0.167 0.000 1.061 132 L CA -0.393 54.366 54.840 -0.136 0.000 0.807 132 L CB 1.152 43.066 42.059 -0.242 0.000 1.177 132 L HN 0.253 nan 8.230 nan 0.000 0.429 133 V N 5.032 124.848 119.914 -0.163 0.000 2.531 133 V HA 0.761 4.881 4.120 0.000 0.000 0.301 133 V C 0.048 175.861 176.094 -0.470 0.000 1.034 133 V CA -0.616 61.473 62.300 -0.353 0.000 0.865 133 V CB 1.367 32.964 31.823 -0.376 0.000 0.995 133 V HN 0.939 nan 8.190 nan 0.000 0.424 134 A N 4.513 126.974 122.820 -0.599 0.000 2.290 134 A HA 0.866 5.186 4.320 0.000 0.000 0.310 134 A C -1.325 175.733 177.584 -0.876 0.000 1.202 134 A CA -0.238 51.337 52.037 -0.770 0.000 0.837 134 A CB 0.455 19.107 19.000 -0.579 0.000 1.139 134 A HN 0.725 nan 8.150 nan 0.000 0.509 135 Y N 0.572 120.386 120.300 -0.809 0.000 2.499 135 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 135 Y C -0.287 175.170 175.900 -0.739 0.000 0.987 135 Y CA -0.653 56.983 58.100 -0.773 0.000 1.044 135 Y CB 2.214 39.964 38.460 -1.183 0.000 1.245 135 Y HN 0.525 nan 8.280 nan 0.000 0.461 136 L N 2.594 123.660 121.223 -0.260 0.000 2.319 136 L HA 0.448 4.788 4.340 0.000 0.000 0.281 136 L C -0.685 176.044 176.870 -0.236 0.000 1.005 136 L CA -0.756 53.882 54.840 -0.338 0.000 0.828 136 L CB 1.602 43.518 42.059 -0.238 0.000 1.227 136 L HN 0.531 nan 8.230 nan 0.000 0.415 137 E N 2.043 122.074 120.200 -0.282 0.000 2.146 137 E HA 0.182 4.532 4.350 0.000 0.000 0.282 137 E C -0.719 175.601 176.600 -0.467 0.000 0.989 137 E CA 0.021 56.229 56.400 -0.321 0.000 0.799 137 E CB 0.699 30.146 29.700 -0.422 0.000 1.088 137 E HN 0.359 nan 8.360 nan 0.000 0.397 138 Y N 4.053 124.304 120.300 -0.081 0.000 2.467 138 Y HA 0.237 4.787 4.550 0.000 0.000 0.250 138 Y C -0.189 175.877 175.900 0.277 0.000 1.155 138 Y CA -0.335 57.878 58.100 0.189 0.000 1.249 138 Y CB 0.020 38.627 38.460 0.245 0.000 1.146 138 Y HN 0.598 nan 8.280 nan 0.000 0.524 139 F N 0.547 120.583 119.950 0.143 0.000 3.080 139 F HA -0.337 4.190 4.527 0.000 0.000 0.292 139 F C 0.184 176.023 175.800 0.065 0.000 0.891 139 F CA 0.885 58.923 58.000 0.064 0.000 1.086 139 F CB -1.926 37.092 39.000 0.029 0.000 1.095 139 F HN 0.219 nan 8.300 nan 0.000 0.633 140 D N -1.985 118.522 120.400 0.178 0.000 3.059 140 D HA -0.180 4.460 4.640 0.000 0.000 0.220 140 D C 0.141 176.490 176.300 0.081 0.000 1.169 140 D CA 0.982 55.051 54.000 0.114 0.000 0.902 140 D CB -1.159 39.690 40.800 0.081 0.000 1.116 140 D HN 0.274 nan 8.370 nan 0.000 0.417 141 V N 0.743 120.725 119.914 0.113 0.000 2.607 141 V HA 0.208 4.329 4.120 0.000 0.000 0.289 141 V C 0.765 176.708 176.094 -0.252 0.000 1.053 141 V CA -0.135 62.114 62.300 -0.085 0.000 0.996 141 V CB 1.922 33.695 31.823 -0.084 0.000 0.995 141 V HN 0.106 nan 8.190 nan 0.000 0.476 142 E N 3.391 123.343 120.200 -0.413 0.000 2.202 142 E HA 0.543 4.893 4.350 0.000 0.000 0.272 142 E C -1.836 174.400 176.600 -0.607 0.000 0.951 142 E CA -0.591 55.619 56.400 -0.316 0.000 0.813 142 E CB 1.446 31.061 29.700 -0.141 0.000 1.151 142 E HN 0.479 nan 8.360 nan 0.000 0.398 143 F N 3.035 122.958 119.950 -0.045 0.000 2.496 143 F HA 0.233 4.760 4.527 0.000 0.000 0.341 143 F C 0.507 176.256 175.800 -0.084 0.000 1.134 143 F CA -0.794 57.174 58.000 -0.053 0.000 0.968 143 F CB 1.705 40.666 39.000 -0.065 0.000 1.205 143 F HN 0.486 nan 8.300 nan 0.000 0.436 144 D N 0.855 121.290 120.400 0.058 0.000 2.183 144 D HA -0.058 4.582 4.640 0.000 0.000 0.203 144 D C 0.145 176.423 176.300 -0.036 0.000 0.969 144 D CA 1.380 55.377 54.000 -0.004 0.000 0.842 144 D CB 0.302 41.095 40.800 -0.011 0.000 0.957 144 D HN 0.451 nan 8.370 nan 0.000 0.484 145 D N -0.590 119.816 120.400 0.011 0.000 2.374 145 D HA 0.175 4.815 4.640 0.000 0.000 0.239 145 D C 0.007 176.299 176.300 -0.014 0.000 0.991 145 D CA -0.688 53.298 54.000 -0.024 0.000 0.960 145 D CB 1.048 41.886 40.800 0.062 0.000 1.284 145 D HN -0.184 nan 8.370 nan 0.000 0.512 146 F N 0.731 120.704 119.950 0.037 0.000 2.607 146 F HA 0.109 4.636 4.527 0.000 0.000 0.374 146 F C 0.917 176.704 175.800 -0.022 0.000 1.104 146 F CA -0.064 57.933 58.000 -0.005 0.000 1.296 146 F CB 0.330 39.330 39.000 -0.001 0.000 1.085 146 F HN -0.048 nan 8.300 nan 0.000 0.584 147 V N 1.446 121.434 119.914 0.123 0.000 3.001 147 V HA 0.714 4.834 4.120 0.000 0.000 0.314 147 V C -2.840 173.270 176.094 0.027 0.000 1.099 147 V CA -3.078 59.229 62.300 0.013 0.000 0.989 147 V CB 1.893 33.600 31.823 -0.193 0.000 1.040 147 V HN 0.442 nan 8.190 nan 0.000 0.434 148 P HA 0.335 nan 4.420 nan 0.000 0.271 148 P C -0.240 177.111 177.300 0.085 0.000 1.216 148 P CA -0.157 62.978 63.100 0.058 0.000 0.776 148 P CB 0.439 32.174 31.700 0.059 0.000 0.881 149 L N 2.526 123.821 121.223 0.120 0.000 2.467 149 L HA 0.083 4.423 4.340 0.000 0.000 0.270 149 L C 1.131 178.105 176.870 0.172 0.000 1.205 149 L CA -0.259 54.691 54.840 0.183 0.000 0.828 149 L CB 0.142 42.335 42.059 0.224 0.000 1.101 149 L HN 0.301 nan 8.230 nan 0.000 0.479 150 E N 2.699 123.009 120.200 0.184 0.000 2.217 150 E HA 0.213 4.563 4.350 0.000 0.000 0.279 150 E C -2.253 174.546 176.600 0.332 0.000 1.068 150 E CA -2.034 54.487 56.400 0.202 0.000 0.882 150 E CB 0.188 29.955 29.700 0.110 0.000 1.039 150 E HN 0.232 nan 8.360 nan 0.000 0.418 151 P HA 0.109 nan 4.420 nan 0.000 0.271 151 P C -0.526 176.909 177.300 0.225 0.000 1.218 151 P CA -0.558 62.680 63.100 0.229 0.000 0.780 151 P CB 0.504 32.299 31.700 0.158 0.000 0.901 152 L N 4.047 125.306 121.223 0.060 0.000 2.362 152 L HA 0.585 4.925 4.340 0.000 0.000 0.275 152 L C -0.859 175.988 176.870 -0.039 0.000 0.998 152 L CA -0.807 53.896 54.840 -0.228 0.000 0.820 152 L CB 1.703 43.454 42.059 -0.512 0.000 1.270 152 L HN 0.252 nan 8.230 nan 0.000 0.415 153 V N 2.872 122.783 119.914 -0.005 0.000 2.815 153 V HA 0.870 4.990 4.120 0.000 0.000 0.314 153 V C -0.958 175.143 176.094 0.012 0.000 1.064 153 V CA -0.697 61.642 62.300 0.064 0.000 0.952 153 V CB 1.892 33.775 31.823 0.101 0.000 1.020 153 V HN 0.499 nan 8.190 nan 0.000 0.439 154 V N 4.926 124.860 119.914 0.034 0.000 2.409 154 V HA 0.539 4.659 4.120 0.000 0.000 0.290 154 V C -0.389 175.648 176.094 -0.096 0.000 1.017 154 V CA -0.272 61.962 62.300 -0.111 0.000 0.841 154 V CB 1.092 32.912 31.823 -0.006 0.000 1.003 154 V HN 0.837 nan 8.190 nan 0.000 0.426 155 L N 3.814 124.904 121.223 -0.222 0.000 2.346 155 L HA 0.757 5.097 4.340 0.000 0.000 0.274 155 L C -0.281 176.458 176.870 -0.218 0.000 1.007 155 L CA -0.435 54.290 54.840 -0.192 0.000 0.818 155 L CB 2.289 44.243 42.059 -0.175 0.000 1.284 155 L HN 0.585 nan 8.230 nan 0.000 0.424 156 E N 1.599 121.693 120.200 -0.177 0.000 2.275 156 E HA 0.535 4.885 4.350 0.000 0.000 0.270 156 E C -1.918 174.603 176.600 -0.132 0.000 0.882 156 E CA -0.468 55.843 56.400 -0.148 0.000 0.758 156 E CB 2.527 32.161 29.700 -0.111 0.000 1.195 156 E HN 0.681 nan 8.360 nan 0.000 0.419 157 D N 3.109 123.443 120.400 -0.109 0.000 2.738 157 D HA 0.132 4.772 4.640 0.000 0.000 0.229 157 D C -2.325 173.936 176.300 -0.065 0.000 1.200 157 D CA -0.959 52.988 54.000 -0.088 0.000 0.746 157 D CB 1.456 42.194 40.800 -0.103 0.000 1.597 157 D HN 0.115 nan 8.370 nan 0.000 0.471 158 P HA -0.138 nan 4.420 nan 0.000 0.217 158 P C 0.019 177.305 177.300 -0.024 0.000 1.151 158 P CA 0.879 63.962 63.100 -0.028 0.000 0.849 158 P CB 0.062 31.750 31.700 -0.019 0.000 0.787 159 N N -0.694 117.989 118.700 -0.028 0.000 2.508 159 N HA 0.019 4.759 4.740 0.000 0.000 0.253 159 N C 0.706 176.198 175.510 -0.029 0.000 1.145 159 N CA 0.389 53.429 53.050 -0.017 0.000 0.973 159 N CB -0.327 38.153 38.487 -0.012 0.000 1.305 159 N HN -0.047 nan 8.380 nan 0.000 0.506 160 T N 2.863 117.404 114.554 -0.022 0.000 2.708 160 T HA -0.073 4.277 4.350 0.000 0.000 0.266 160 T C -0.916 173.763 174.700 -0.035 0.000 1.037 160 T CA 1.139 63.216 62.100 -0.038 0.000 1.146 160 T CB -0.659 68.198 68.868 -0.018 0.000 0.865 160 T HN 0.448 nan 8.240 nan 0.000 0.435 161 P HA -0.072 nan 4.420 nan 0.000 0.216 161 P C 1.669 179.007 177.300 0.063 0.000 1.153 161 P CA 0.650 63.814 63.100 0.106 0.000 0.858 161 P CB -0.190 31.591 31.700 0.135 0.000 0.789 162 L N -1.097 120.142 121.223 0.027 0.000 2.093 162 L HA -0.110 4.230 4.340 0.000 0.000 0.208 162 L C 2.125 178.971 176.870 -0.040 0.000 1.085 162 L CA 1.709 56.555 54.840 0.011 0.000 0.755 162 L CB -1.413 40.648 42.059 0.003 0.000 0.904 162 L HN -0.119 nan 8.230 nan 0.000 0.435 163 L N -1.203 119.971 121.223 -0.081 0.000 2.046 163 L HA -0.237 4.104 4.340 0.000 0.000 0.208 163 L C 2.538 179.311 176.870 -0.161 0.000 1.077 163 L CA 1.382 56.147 54.840 -0.125 0.000 0.747 163 L CB -0.550 41.419 42.059 -0.150 0.000 0.896 163 L HN 0.326 nan 8.230 nan 0.000 0.432 164 L N -0.637 120.432 121.223 -0.256 0.000 2.072 164 L HA -0.172 4.168 4.340 0.000 0.000 0.205 164 L C 2.495 179.162 176.870 -0.338 0.000 1.079 164 L CA 1.122 55.638 54.840 -0.539 0.000 0.752 164 L CB -0.390 41.088 42.059 -0.968 0.000 0.906 164 L HN 0.226 nan 8.230 nan 0.000 0.436 165 E N 0.056 120.165 120.200 -0.153 0.000 2.118 165 E HA -0.292 4.058 4.350 0.000 0.000 0.195 165 E C 2.027 178.625 176.600 -0.004 0.000 0.992 165 E CA 1.350 57.736 56.400 -0.023 0.000 0.804 165 E CB 0.001 29.730 29.700 0.048 0.000 0.741 165 E HN 0.209 nan 8.360 nan 0.000 0.458 166 K N 0.677 121.070 120.400 -0.013 0.000 2.025 166 K HA -0.225 4.095 4.320 0.000 0.000 0.207 166 K C 2.027 178.641 176.600 0.022 0.000 1.049 166 K CA 1.340 57.630 56.287 0.004 0.000 0.933 166 K CB -0.682 31.803 32.500 -0.024 0.000 0.714 166 K HN 0.156 nan 8.250 nan 0.000 0.438 167 Y N 0.734 120.973 120.300 -0.102 0.000 2.114 167 Y HA -0.239 4.311 4.550 0.000 0.000 0.282 167 Y C 1.972 177.883 175.900 0.019 0.000 1.165 167 Y CA 2.133 60.189 58.100 -0.073 0.000 1.148 167 Y CB -0.923 37.437 38.460 -0.167 0.000 0.972 167 Y HN 0.149 nan 8.280 nan 0.000 0.504 168 A N 0.060 122.805 122.820 -0.125 0.000 1.902 168 A HA -0.184 4.136 4.320 0.000 0.000 0.217 168 A C 2.110 179.644 177.584 -0.085 0.000 1.181 168 A CA 1.750 53.786 52.037 -0.001 0.000 0.623 168 A CB -0.795 18.310 19.000 0.175 0.000 0.818 168 A HN 0.631 nan 8.150 nan 0.000 0.443 169 E N -0.134 120.027 120.200 -0.066 0.000 2.058 169 E HA -0.184 4.166 4.350 0.000 0.000 0.194 169 E C 1.924 178.456 176.600 -0.113 0.000 0.997 169 E CA 1.452 57.809 56.400 -0.071 0.000 0.801 169 E CB -0.304 29.379 29.700 -0.029 0.000 0.746 169 E HN 0.641 nan 8.360 nan 0.000 0.450 170 L N 0.189 121.341 121.223 -0.119 0.000 2.093 170 L HA -0.167 4.173 4.340 0.000 0.000 0.208 170 L C 2.412 179.157 176.870 -0.207 0.000 1.085 170 L CA 0.527 55.295 54.840 -0.119 0.000 0.755 170 L CB -0.384 41.637 42.059 -0.062 0.000 0.904 170 L HN 0.071 nan 8.230 nan 0.000 0.435 171 V N 0.195 119.887 119.914 -0.370 0.000 2.287 171 V HA -0.156 3.964 4.120 0.000 0.000 0.248 171 V C 1.795 177.610 176.094 -0.465 0.000 1.053 171 V CA 1.445 63.430 62.300 -0.525 0.000 1.027 171 V CB -1.292 29.957 31.823 -0.956 0.000 0.646 171 V HN 0.507 nan 8.190 nan 0.000 0.447 175 N N 1.161 119.780 118.700 -0.135 0.000 2.177 175 N HA 0.101 4.841 4.740 0.000 0.000 0.218 175 N C -0.699 174.751 175.510 -0.099 0.000 1.182 175 N CA 0.228 53.204 53.050 -0.122 0.000 0.882 175 N CB 0.575 38.950 38.487 -0.186 0.000 1.052 175 N HN 0.086 nan 8.380 nan 0.000 0.519 176 N N 1.381 120.026 118.700 -0.091 0.000 2.688 176 N HA -0.175 4.566 4.740 0.000 0.000 0.258 176 N C -0.108 175.360 175.510 -0.071 0.000 1.016 176 N CA 0.599 53.608 53.050 -0.068 0.000 0.747 176 N CB -1.426 37.035 38.487 -0.044 0.000 0.895 176 N HN 0.339 nan 8.380 nan 0.000 0.543 177 A N 0.871 123.630 122.820 -0.102 0.000 2.561 177 A HA 0.143 4.463 4.320 0.000 0.000 0.234 177 A C 0.835 178.394 177.584 -0.041 0.000 1.055 177 A CA 0.257 52.239 52.037 -0.093 0.000 0.756 177 A CB 0.359 19.271 19.000 -0.145 0.000 0.986 177 A HN 0.365 nan 8.150 nan 0.000 0.505 178 R N 1.342 121.837 120.500 -0.009 0.000 2.196 178 R HA 0.423 4.763 4.340 0.000 0.000 0.340 178 R C -1.300 175.015 176.300 0.024 0.000 1.043 178 R CA -0.267 55.831 56.100 -0.003 0.000 0.883 178 R CB 1.004 31.287 30.300 -0.028 0.000 1.078 178 R HN 0.388 nan 8.270 nan 0.000 0.462 179 V N 5.674 125.602 119.914 0.023 0.000 2.327 179 V HA 0.211 4.331 4.120 0.000 0.000 0.272 179 V C -2.064 174.071 176.094 0.067 0.000 1.019 179 V CA -1.888 60.438 62.300 0.043 0.000 0.814 179 V CB 1.173 32.999 31.823 0.005 0.000 1.040 179 V HN 0.669 nan 8.190 nan 0.000 0.440 180 P HA 0.163 nan 4.420 nan 0.000 0.266 180 P C 1.093 178.482 177.300 0.148 0.000 1.195 180 P CA -0.092 63.101 63.100 0.156 0.000 0.768 180 P CB 0.866 32.725 31.700 0.264 0.000 0.838 181 K N -0.047 120.439 120.400 0.143 0.000 2.148 181 K HA -0.128 4.192 4.320 0.000 0.000 0.204 181 K C 0.895 177.605 176.600 0.184 0.000 1.050 181 K CA 1.231 57.600 56.287 0.136 0.000 0.942 181 K CB -0.956 31.616 32.500 0.120 0.000 0.724 181 K HN 0.666 nan 8.250 nan 0.000 0.446 182 H N 0.270 119.418 119.070 0.130 0.000 2.552 182 H HA 0.300 4.856 4.556 0.000 0.000 0.311 182 H C -0.880 174.554 175.328 0.177 0.000 1.071 182 H CA -0.058 56.071 56.048 0.135 0.000 1.307 182 H CB 0.785 30.620 29.762 0.122 0.000 1.416 182 H HN -0.028 nan 8.280 nan 0.000 0.464 183 T N 8.985 123.300 114.554 -0.398 0.000 2.767 183 T HA 0.260 4.610 4.350 0.000 0.000 0.288 183 T C -2.415 171.965 174.700 -0.534 0.000 0.963 183 T CA -1.348 60.594 62.100 -0.263 0.000 1.019 183 T CB 1.031 69.861 68.868 -0.064 0.000 0.923 183 T HN 0.565 nan 8.240 nan 0.000 0.468 184 P HA 0.285 nan 4.420 nan 0.000 0.277 184 P C -0.173 177.050 177.300 -0.130 0.000 1.240 184 P CA -0.447 62.521 63.100 -0.220 0.000 0.798 184 P CB 0.521 32.057 31.700 -0.273 0.000 0.979 185 T N -1.327 113.222 114.554 -0.008 0.000 2.952 185 T HA 0.847 5.197 4.350 0.000 0.000 0.286 185 T C 0.183 174.895 174.700 0.019 0.000 1.024 185 T CA -0.530 61.605 62.100 0.057 0.000 1.029 185 T CB 1.611 70.610 68.868 0.218 0.000 1.094 185 T HN 0.692 nan 8.240 nan 0.000 0.515 186 G N -0.776 107.983 108.800 -0.068 0.000 2.341 186 G HA2 0.421 4.381 3.960 0.000 0.000 0.299 186 G HA3 0.421 4.381 3.960 0.000 0.000 0.299 186 G C -2.650 171.777 174.900 -0.788 0.000 1.274 186 G CA -0.985 43.931 45.100 -0.307 0.000 0.853 186 G HN 0.912 nan 8.290 nan 0.000 0.493 187 W N -0.063 120.668 121.300 -0.948 0.000 2.785 187 W HA 0.652 5.312 4.660 0.000 0.000 0.333 187 W C -0.555 175.558 176.519 -0.676 0.000 1.062 187 W CA -1.133 55.609 57.345 -1.005 0.000 1.233 187 W CB 1.922 30.730 29.460 -1.088 0.000 1.413 187 W HN 0.715 nan 8.180 nan 0.000 0.489 188 C N 5.677 124.281 119.300 -1.161 0.000 2.455 188 C HA 0.471 4.932 4.460 0.000 0.000 0.320 188 C C 1.567 175.617 174.990 -1.566 0.000 1.226 188 C CA 0.175 58.604 59.018 -0.980 0.000 1.569 188 C CB 0.927 28.419 27.740 -0.414 0.000 2.200 188 C HN 0.827 nan 8.230 nan 0.000 0.491 189 S N 4.976 119.900 115.700 -1.295 0.000 2.423 189 S HA -0.143 4.327 4.470 0.000 0.000 0.231 189 S C 1.693 176.055 174.600 -0.398 0.000 1.014 189 S CA 1.028 58.697 58.200 -0.885 0.000 0.965 189 S CB -0.431 62.613 63.200 -0.261 0.000 0.785 189 S HN 0.983 nan 8.310 nan 0.000 0.495 190 W N 1.719 122.677 121.300 -0.571 0.000 2.354 190 W HA -0.174 4.486 4.660 0.000 0.000 0.315 190 W C 0.955 176.774 176.519 -1.167 0.000 1.206 190 W CA 1.139 58.048 57.345 -0.728 0.000 1.290 190 W CB -0.414 28.555 29.460 -0.819 0.000 1.152 190 W HN 0.392 nan 8.180 nan 0.000 0.489 191 Y N -0.548 119.267 120.300 -0.808 0.000 2.529 191 Y HA -0.071 4.479 4.550 0.000 0.000 0.290 191 Y C 2.098 177.480 175.900 -0.863 0.000 1.177 191 Y CA 1.527 59.041 58.100 -0.977 0.000 1.305 191 Y CB -0.871 37.378 38.460 -0.352 0.000 1.047 191 Y HN 0.130 nan 8.280 nan 0.000 0.522 192 H N -2.235 116.385 119.070 -0.750 0.000 2.393 192 H HA 0.045 4.601 4.556 0.000 0.000 0.307 192 H C 1.056 175.999 175.328 -0.642 0.000 1.038 192 H CA 1.256 56.948 56.048 -0.594 0.000 1.351 192 H CB -0.095 29.309 29.762 -0.596 0.000 1.464 192 H HN 0.160 nan 8.280 nan 0.000 0.575 193 Y N -0.668 119.397 120.300 -0.391 0.000 2.509 193 Y HA 0.152 4.702 4.550 0.000 0.000 0.270 193 Y C 0.413 176.165 175.900 -0.247 0.000 1.103 193 Y CA 0.209 58.212 58.100 -0.161 0.000 1.278 193 Y CB 0.060 38.537 38.460 0.029 0.000 1.087 193 Y HN 0.053 nan 8.280 nan 0.000 0.542 194 F N -1.229 118.352 119.950 -0.614 0.000 2.697 194 F HA -0.446 4.081 4.527 0.000 0.000 0.250 194 F C 1.287 176.811 175.800 -0.459 0.000 1.066 194 F CA 1.121 58.369 58.000 -1.252 0.000 1.366 194 F CB -1.286 37.050 39.000 -1.106 0.000 2.184 194 F HN -0.271 nan 8.300 nan 0.000 0.407 195 L N 0.185 121.412 121.223 0.006 0.000 2.554 195 L HA 0.021 4.361 4.340 0.000 0.000 0.226 195 L C 0.936 177.921 176.870 0.192 0.000 1.137 195 L CA 0.634 55.595 54.840 0.201 0.000 0.863 195 L CB -0.551 41.665 42.059 0.261 0.000 0.985 195 L HN 0.377 nan 8.230 nan 0.000 0.451 196 D N 0.542 121.047 120.400 0.175 0.000 2.325 196 D HA 0.084 4.724 4.640 0.000 0.000 0.234 196 D C 0.463 176.915 176.300 0.252 0.000 1.122 196 D CA 0.030 54.150 54.000 0.201 0.000 0.850 196 D CB 0.293 41.197 40.800 0.173 0.000 0.921 196 D HN 0.100 nan 8.370 nan 0.000 0.513 197 L N 1.957 123.345 121.223 0.275 0.000 2.455 197 L HA 0.136 4.476 4.340 0.000 0.000 0.272 197 L C 0.496 177.540 176.870 0.289 0.000 1.174 197 L CA 0.313 55.291 54.840 0.230 0.000 0.869 197 L CB 0.650 42.880 42.059 0.285 0.000 1.130 197 L HN -0.044 nan 8.230 nan 0.000 0.474 198 T N 0.924 115.499 114.554 0.034 0.000 2.940 198 T HA 0.159 4.509 4.350 0.000 0.000 0.288 198 T C 0.725 175.242 174.700 -0.305 0.000 1.033 198 T CA -0.607 61.376 62.100 -0.195 0.000 1.033 198 T CB 0.807 69.605 68.868 -0.117 0.000 1.079 198 T HN 0.814 nan 8.240 nan 0.000 0.496 199 W N 1.185 121.959 121.300 -0.876 0.000 2.392 199 W HA -0.130 4.530 4.660 0.000 0.000 0.279 199 W C 1.745 178.123 176.519 -0.235 0.000 1.225 199 W CA 1.487 58.534 57.345 -0.497 0.000 1.233 199 W CB 0.173 29.354 29.460 -0.464 0.000 1.122 199 W HN 1.036 nan 8.180 nan 0.000 0.561 200 E N 0.419 120.520 120.200 -0.165 0.000 2.031 200 E HA -0.252 4.098 4.350 0.000 0.000 0.193 200 E C 1.942 178.410 176.600 -0.221 0.000 0.994 200 E CA 1.469 57.759 56.400 -0.182 0.000 0.800 200 E CB -0.200 29.448 29.700 -0.087 0.000 0.752 200 E HN 0.089 nan 8.360 nan 0.000 0.447 201 E N -0.074 120.009 120.200 -0.195 0.000 2.204 201 E HA -0.119 4.231 4.350 0.000 0.000 0.194 201 E C 2.117 178.549 176.600 -0.280 0.000 0.989 201 E CA 1.174 57.445 56.400 -0.215 0.000 0.824 201 E CB -0.214 29.305 29.700 -0.300 0.000 0.756 201 E HN 0.309 nan 8.360 nan 0.000 0.477 202 T N 1.766 116.145 114.554 -0.292 0.000 2.701 202 T HA -0.062 4.288 4.350 0.000 0.000 0.263 202 T C 2.119 176.549 174.700 -0.451 0.000 1.040 202 T CA 0.707 62.671 62.100 -0.226 0.000 1.147 202 T CB -0.223 68.602 68.868 -0.071 0.000 0.865 202 T HN 0.106 nan 8.240 nan 0.000 0.426 203 L N 0.875 121.682 121.223 -0.694 0.000 2.191 203 L HA -0.103 4.237 4.340 0.000 0.000 0.212 203 L C 2.662 179.285 176.870 -0.412 0.000 1.103 203 L CA 1.242 55.694 54.840 -0.647 0.000 0.769 203 L CB -0.475 41.206 42.059 -0.629 0.000 0.908 203 L HN 0.257 nan 8.230 nan 0.000 0.438 204 K N 0.371 120.583 120.400 -0.313 0.000 2.001 204 K HA -0.167 4.153 4.320 0.000 0.000 0.208 204 K C 1.883 178.346 176.600 -0.228 0.000 1.048 204 K CA 1.444 57.605 56.287 -0.210 0.000 0.932 204 K CB -0.003 32.418 32.500 -0.132 0.000 0.715 204 K HN 0.313 nan 8.250 nan 0.000 0.437 205 N N 1.127 119.661 118.700 -0.276 0.000 2.244 205 N HA -0.153 4.587 4.740 0.000 0.000 0.183 205 N C 1.813 177.041 175.510 -0.470 0.000 1.016 205 N CA 0.767 53.589 53.050 -0.380 0.000 0.866 205 N CB -0.126 37.993 38.487 -0.613 0.000 0.980 205 N HN 0.164 nan 8.380 nan 0.000 0.430 206 L N 2.035 122.892 121.223 -0.610 0.000 2.083 206 L HA -0.135 4.205 4.340 0.000 0.000 0.209 206 L C 2.424 179.015 176.870 -0.467 0.000 1.083 206 L CA 1.636 55.897 54.840 -0.965 0.000 0.752 206 L CB -0.700 40.701 42.059 -1.097 0.000 0.899 206 L HN -0.121 nan 8.230 nan 0.000 0.433 207 K N -0.461 119.758 120.400 -0.302 0.000 2.001 207 K HA -0.072 4.248 4.320 0.000 0.000 0.208 207 K C 2.202 178.764 176.600 -0.063 0.000 1.048 207 K CA 1.719 57.919 56.287 -0.144 0.000 0.932 207 K CB -0.834 31.590 32.500 -0.128 0.000 0.715 207 K HN 0.594 nan 8.250 nan 0.000 0.437 208 L N 0.349 121.526 121.223 -0.076 0.000 2.187 208 L HA -0.054 4.286 4.340 0.000 0.000 0.213 208 L C 2.703 179.653 176.870 0.133 0.000 1.100 208 L CA 1.310 56.168 54.840 0.031 0.000 0.765 208 L CB -0.604 41.453 42.059 -0.002 0.000 0.904 208 L HN 0.408 nan 8.230 nan 0.000 0.437 209 A N -0.067 122.759 122.820 0.010 0.000 2.121 209 A HA -0.182 4.138 4.320 0.000 0.000 0.218 209 A C 2.241 180.089 177.584 0.440 0.000 1.154 209 A CA 1.228 53.360 52.037 0.158 0.000 0.679 209 A CB -0.293 18.674 19.000 -0.054 0.000 0.795 209 A HN 0.307 nan 8.150 nan 0.000 0.458 210 K N 0.251 120.867 120.400 0.360 0.000 2.283 210 K HA -0.054 4.266 4.320 0.000 0.000 0.202 210 K C 0.519 177.193 176.600 0.123 0.000 1.048 210 K CA 1.055 57.495 56.287 0.254 0.000 0.948 210 K CB -0.024 32.554 32.500 0.130 0.000 0.742 210 K HN 0.417 nan 8.250 nan 0.000 0.458 211 N N 0.051 118.831 118.700 0.135 0.000 2.370 211 N HA 0.052 4.792 4.740 0.000 0.000 0.198 211 N C -0.791 174.517 175.510 -0.336 0.000 1.156 211 N CA 0.512 53.510 53.050 -0.087 0.000 0.839 211 N CB 0.312 38.708 38.487 -0.151 0.000 0.989 211 N HN -0.025 nan 8.380 nan 0.000 0.468 212 F N 0.369 120.155 119.950 -0.272 0.000 2.588 212 F HA 0.383 4.910 4.527 0.000 0.000 0.314 212 F C -1.873 173.625 175.800 -0.504 0.000 1.069 212 F CA -2.385 55.265 58.000 -0.583 0.000 0.931 212 F CB 1.756 39.955 39.000 -1.335 0.000 1.260 212 F HN -0.210 nan 8.300 nan 0.000 0.465 213 P HA 0.116 nan 4.420 nan 0.000 0.225 213 P C -1.059 176.373 177.300 0.221 0.000 1.768 213 P CA 0.286 63.380 63.100 -0.010 0.000 0.943 213 P CB -0.701 31.017 31.700 0.030 0.000 1.936 214 F N 0.251 120.376 119.950 0.292 0.000 2.443 214 F HA 0.334 4.861 4.527 0.000 0.000 0.335 214 F C 1.582 177.577 175.800 0.324 0.000 1.104 214 F CA -1.335 56.855 58.000 0.316 0.000 1.013 214 F CB 1.337 40.582 39.000 0.408 0.000 1.136 214 F HN -0.001 nan 8.300 nan 0.000 0.470 215 E N 0.797 121.253 120.200 0.428 0.000 2.201 215 E HA 0.139 4.489 4.350 0.000 0.000 0.193 215 E C -0.350 176.453 176.600 0.339 0.000 0.957 215 E CA 0.517 57.094 56.400 0.295 0.000 0.858 215 E CB 0.581 30.403 29.700 0.203 0.000 0.816 215 E HN 0.207 nan 8.360 nan 0.000 0.475 216 V N 1.525 121.569 119.914 0.216 0.000 2.513 216 V HA 0.296 4.416 4.120 0.000 0.000 0.299 216 V C -1.164 174.984 176.094 0.089 0.000 1.035 216 V CA -0.667 61.652 62.300 0.032 0.000 0.889 216 V CB 1.480 33.032 31.823 -0.452 0.000 0.988 216 V HN 0.073 nan 8.190 nan 0.000 0.440 217 F N 4.341 124.276 119.950 -0.025 0.000 2.403 217 F HA 0.487 5.014 4.527 0.000 0.000 0.355 217 F C -0.049 175.784 175.800 0.055 0.000 1.119 217 F CA -0.103 57.862 58.000 -0.058 0.000 1.007 217 F CB 1.221 40.048 39.000 -0.288 0.000 1.194 217 F HN 0.436 nan 8.300 nan 0.000 0.443 218 Q N 7.118 126.833 119.800 -0.142 0.000 2.333 218 Q HA 0.360 4.700 4.340 0.000 0.000 0.268 218 Q C -1.241 174.757 176.000 -0.003 0.000 1.007 218 Q CA -0.839 54.956 55.803 -0.013 0.000 0.810 218 Q CB 1.581 30.294 28.738 -0.042 0.000 1.264 218 Q HN 0.535 nan 8.270 nan 0.000 0.452 219 I N 3.572 124.244 120.570 0.170 0.000 2.396 219 I HA 0.171 4.341 4.170 0.000 0.000 0.289 219 I C 0.757 177.005 176.117 0.218 0.000 1.056 219 I CA 0.142 61.570 61.300 0.212 0.000 1.365 219 I CB 0.500 38.643 38.000 0.238 0.000 1.407 219 I HN 0.641 nan 8.210 nan 0.000 0.509 220 D N 3.720 124.226 120.400 0.178 0.000 2.539 220 D HA 0.033 4.674 4.640 0.000 0.000 0.276 220 D C -0.531 175.852 176.300 0.137 0.000 1.206 220 D CA -0.447 53.634 54.000 0.134 0.000 1.081 220 D CB 1.337 42.122 40.800 -0.026 0.000 1.142 220 D HN 0.447 nan 8.370 nan 0.000 0.595 221 D N -0.923 119.193 120.400 -0.473 0.000 2.531 221 D HA 0.200 4.840 4.640 0.000 0.000 0.239 221 D C 0.010 176.322 176.300 0.019 0.000 1.144 221 D CA 1.051 54.699 54.000 -0.585 0.000 0.869 221 D CB 0.503 40.505 40.800 -1.330 0.000 1.160 221 D HN 0.471 nan 8.370 nan 0.000 0.484 222 A N 3.199 126.004 122.820 -0.024 0.000 2.541 222 A HA -0.184 4.136 4.320 0.000 0.000 0.218 222 A C 1.139 178.610 177.584 -0.187 0.000 2.767 222 A CA 0.396 52.456 52.037 0.038 0.000 1.578 222 A CB -1.689 17.440 19.000 0.215 0.000 0.294 222 A HN 0.577 nan 8.150 nan 0.000 0.531 223 Y N 2.357 122.403 120.300 -0.424 0.000 2.457 223 Y HA 0.377 4.927 4.550 0.000 0.000 0.292 223 Y C 0.858 176.553 175.900 -0.341 0.000 1.125 223 Y CA 0.832 58.370 58.100 -0.935 0.000 1.254 223 Y CB -0.183 37.768 38.460 -0.849 0.000 1.012 223 Y HN 0.395 nan 8.280 nan 0.000 0.555 224 E N 2.802 122.470 120.200 -0.887 0.000 2.313 224 E HA 0.068 4.418 4.350 0.000 0.000 0.272 224 E C 0.500 176.901 176.600 -0.331 0.000 1.038 224 E CA -0.455 55.579 56.400 -0.609 0.000 0.863 224 E CB 1.914 31.185 29.700 -0.716 0.000 1.060 224 E HN 0.369 nan 8.360 nan 0.000 0.402 225 K N 1.242 121.503 120.400 -0.232 0.000 2.009 225 K HA -0.166 4.154 4.320 0.000 0.000 0.210 225 K C -0.071 176.379 176.600 -0.249 0.000 1.049 225 K CA 1.674 57.855 56.287 -0.176 0.000 0.929 225 K CB 0.136 32.558 32.500 -0.131 0.000 0.714 225 K HN 0.633 nan 8.250 nan 0.000 0.440 226 D N -1.474 118.698 120.400 -0.380 0.000 2.639 226 D HA 0.211 4.852 4.640 0.000 0.000 0.271 226 D C -1.208 174.642 176.300 -0.750 0.000 1.254 226 D CA -0.658 53.074 54.000 -0.446 0.000 0.810 226 D CB 1.264 41.885 40.800 -0.299 0.000 1.351 226 D HN -0.107 nan 8.370 nan 0.000 0.427 227 I N 2.022 122.161 120.570 -0.719 0.000 2.406 227 I HA 0.356 4.527 4.170 0.000 0.000 0.293 227 I C 1.615 177.364 176.117 -0.613 0.000 1.101 227 I CA 0.707 61.520 61.300 -0.812 0.000 1.334 227 I CB -0.310 37.325 38.000 -0.608 0.000 1.421 227 I HN 0.777 nan 8.210 nan 0.000 0.513 228 G N 5.675 113.885 108.800 -0.983 0.000 2.336 228 G HA2 -0.164 3.796 3.960 0.000 0.000 0.194 228 G HA3 -0.164 3.796 3.960 0.000 0.000 0.194 228 G C 0.004 174.626 174.900 -0.464 0.000 0.999 228 G CA -0.544 44.326 45.100 -0.383 0.000 0.669 228 G HN 0.486 nan 8.290 nan 0.000 0.482 229 D N 0.405 120.342 120.400 -0.771 0.000 2.590 229 D HA 0.410 5.050 4.640 0.000 0.000 0.280 229 D C 0.537 176.590 176.300 -0.410 0.000 1.197 229 D CA -0.593 53.186 54.000 -0.368 0.000 0.967 229 D CB -0.191 40.462 40.800 -0.247 0.000 0.987 229 D HN 0.556 nan 8.370 nan 0.000 0.508 230 W N 0.169 121.489 121.300 0.034 0.000 2.658 230 W HA 0.120 4.780 4.660 0.000 0.000 0.263 230 W C 1.671 178.213 176.519 0.039 0.000 1.274 230 W CA -0.092 57.252 57.345 -0.002 0.000 1.343 230 W CB 0.291 29.690 29.460 -0.102 0.000 1.106 230 W HN 0.157 nan 8.180 nan 0.000 0.615 231 L N 0.322 121.636 121.223 0.152 0.000 2.628 231 L HA 0.201 4.541 4.340 0.000 0.000 0.229 231 L C -0.004 176.913 176.870 0.078 0.000 1.137 231 L CA -0.007 54.894 54.840 0.101 0.000 0.909 231 L CB -0.267 41.822 42.059 0.049 0.000 1.137 231 L HN -0.299 nan 8.230 nan 0.000 0.470 232 V N -0.249 119.700 119.914 0.059 0.000 2.487 232 V HA 0.320 4.440 4.120 0.000 0.000 0.298 232 V C 0.328 176.445 176.094 0.039 0.000 1.028 232 V CA -0.588 61.731 62.300 0.031 0.000 0.860 232 V CB 1.965 33.783 31.823 -0.010 0.000 0.991 232 V HN 0.274 nan 8.190 nan 0.000 0.427 233 T N 2.783 117.376 114.554 0.065 0.000 2.943 233 T HA 0.775 5.126 4.350 0.000 0.000 0.284 233 T C -0.184 174.561 174.700 0.076 0.000 1.015 233 T CA -0.833 61.320 62.100 0.088 0.000 1.042 233 T CB 1.719 70.672 68.868 0.142 0.000 1.055 233 T HN 0.814 nan 8.240 nan 0.000 0.500 234 R N 0.432 120.993 120.500 0.101 0.000 2.810 234 R HA 0.804 5.144 4.340 0.000 0.000 0.245 234 R C 0.964 177.419 176.300 0.259 0.000 1.168 234 R CA -0.284 55.891 56.100 0.125 0.000 1.096 234 R CB -0.117 30.224 30.300 0.069 0.000 1.259 234 R HN 1.141 nan 8.270 nan 0.000 0.518 235 G N 0.792 109.708 108.800 0.193 0.000 2.602 235 G HA2 -0.411 3.549 3.960 0.000 0.000 0.306 235 G HA3 -0.411 3.549 3.960 0.000 0.000 0.306 235 G C 0.454 175.433 174.900 0.132 0.000 1.301 235 G CA 0.720 45.928 45.100 0.180 0.000 0.974 235 G HN 0.850 nan 8.290 nan 0.000 0.547 236 D N -0.218 120.207 120.400 0.040 0.000 2.218 236 D HA -0.117 4.523 4.640 0.000 0.000 0.194 236 D C 1.325 177.572 176.300 -0.087 0.000 1.007 236 D CA 1.124 55.076 54.000 -0.081 0.000 0.879 236 D CB -0.209 40.416 40.800 -0.292 0.000 0.918 236 D HN 0.243 nan 8.370 nan 0.000 0.449 237 F N 1.078 121.050 119.950 0.036 0.000 2.471 237 F HA 0.207 4.734 4.527 0.000 0.000 0.353 237 F C -1.184 174.478 175.800 -0.230 0.000 1.113 237 F CA -1.618 56.310 58.000 -0.120 0.000 1.262 237 F CB 0.328 39.318 39.000 -0.017 0.000 1.146 237 F HN -0.054 nan 8.300 nan 0.000 0.578 238 P HA 0.049 nan 4.420 nan 0.000 0.289 238 P C -0.373 176.850 177.300 -0.127 0.000 1.299 238 P CA -0.562 62.398 63.100 -0.235 0.000 0.766 238 P CB 0.505 31.977 31.700 -0.380 0.000 1.226 239 S N -1.156 114.495 115.700 -0.082 0.000 2.631 239 S HA -0.066 4.404 4.470 0.000 0.000 0.311 239 S C 1.556 176.127 174.600 -0.049 0.000 1.254 239 S CA -0.258 57.917 58.200 -0.040 0.000 1.039 239 S CB -0.269 62.912 63.200 -0.031 0.000 0.753 239 S HN 0.200 nan 8.310 nan 0.000 0.494 240 V N 4.769 124.691 119.914 0.012 0.000 2.427 240 V HA -0.100 4.020 4.120 0.000 0.000 0.248 240 V C 2.200 178.356 176.094 0.104 0.000 1.051 240 V CA 2.274 64.606 62.300 0.052 0.000 1.048 240 V CB -0.959 30.906 31.823 0.070 0.000 0.666 240 V HN 0.854 nan 8.190 nan 0.000 0.456 241 E N 0.232 120.467 120.200 0.058 0.000 2.058 241 E HA -0.168 4.182 4.350 0.000 0.000 0.194 241 E C 1.379 177.968 176.600 -0.018 0.000 0.997 241 E CA 0.999 57.415 56.400 0.026 0.000 0.801 241 E CB -0.204 29.507 29.700 0.018 0.000 0.746 241 E HN 0.667 nan 8.360 nan 0.000 0.450 245 K N 0.757 121.110 120.400 -0.079 0.000 2.034 245 K HA -0.163 4.157 4.320 0.000 0.000 0.214 245 K C 1.796 178.415 176.600 0.032 0.000 1.051 245 K CA 2.328 58.604 56.287 -0.018 0.000 0.931 245 K CB -0.298 32.202 32.500 -0.001 0.000 0.715 245 K HN 0.273 nan 8.250 nan 0.000 0.446 246 V N 1.480 121.454 119.914 0.100 0.000 2.343 246 V HA -0.255 3.865 4.120 0.000 0.000 0.247 246 V C 2.304 178.441 176.094 0.072 0.000 1.051 246 V CA 1.766 64.146 62.300 0.133 0.000 1.036 246 V CB -0.311 31.698 31.823 0.311 0.000 0.654 246 V HN 0.322 nan 8.190 nan 0.000 0.451 247 I N 0.292 120.917 120.570 0.092 0.000 2.179 247 I HA -0.237 3.933 4.170 0.000 0.000 0.242 247 I C 2.692 178.863 176.117 0.090 0.000 1.088 247 I CA 1.528 62.856 61.300 0.047 0.000 1.357 247 I CB -0.639 37.436 38.000 0.124 0.000 1.051 247 I HN 0.284 nan 8.210 nan 0.000 0.409 248 A N 0.498 123.346 122.820 0.048 0.000 1.865 248 A HA -0.266 4.054 4.320 0.000 0.000 0.217 248 A C 2.183 179.778 177.584 0.018 0.000 1.191 248 A CA 1.895 53.952 52.037 0.032 0.000 0.623 248 A CB -0.792 18.203 19.000 -0.007 0.000 0.826 248 A HN 0.453 nan 8.150 nan 0.000 0.444 249 E N -0.053 120.153 120.200 0.011 0.000 2.208 249 E HA -0.218 4.132 4.350 0.000 0.000 0.202 249 E C 1.020 177.617 176.600 -0.007 0.000 1.014 249 E CA 1.312 57.712 56.400 0.001 0.000 0.819 249 E CB -0.290 29.414 29.700 0.007 0.000 0.735 249 E HN 0.614 nan 8.360 nan 0.000 0.469 250 N N -0.528 118.184 118.700 0.021 0.000 2.383 250 N HA 0.001 4.742 4.740 0.000 0.000 0.192 250 N C 0.656 176.132 175.510 -0.058 0.000 1.141 250 N CA 0.748 53.821 53.050 0.038 0.000 0.851 250 N CB 1.181 39.720 38.487 0.087 0.000 0.976 250 N HN 0.240 nan 8.380 nan 0.000 0.465 251 G N 0.792 109.518 108.800 -0.123 0.000 2.149 251 G HA2 -0.250 3.710 3.960 0.000 0.000 0.235 251 G HA3 -0.250 3.710 3.960 0.000 0.000 0.235 251 G C -0.341 174.228 174.900 -0.553 0.000 1.018 251 G CA -0.233 44.678 45.100 -0.315 0.000 0.728 251 G HN 0.231 nan 8.290 nan 0.000 0.508 252 F N -0.487 119.462 119.950 -0.002 0.000 2.538 252 F HA 0.674 5.201 4.527 0.000 0.000 0.325 252 F C 0.948 176.775 175.800 0.045 0.000 1.066 252 F CA -1.419 56.609 58.000 0.046 0.000 0.946 252 F CB 1.240 40.286 39.000 0.077 0.000 1.199 252 F HN -0.041 nan 8.300 nan 0.000 0.473 253 I N 4.499 125.227 120.570 0.264 0.000 2.436 253 I HA 0.172 4.343 4.170 0.000 0.000 0.289 253 I C -2.279 173.951 176.117 0.188 0.000 1.083 253 I CA -1.682 59.721 61.300 0.171 0.000 1.372 253 I CB 0.425 38.507 38.000 0.137 0.000 1.408 253 I HN 0.199 nan 8.210 nan 0.000 0.516 254 P HA 0.217 nan 4.420 nan 0.000 0.280 254 P C -0.153 177.295 177.300 0.246 0.000 1.244 254 P CA -0.186 63.017 63.100 0.171 0.000 0.784 254 P CB 1.124 32.781 31.700 -0.072 0.000 0.913 255 G N 2.306 111.275 108.800 0.282 0.000 2.481 255 G HA2 0.748 4.708 3.960 0.000 0.000 0.315 255 G HA3 0.748 4.708 3.960 0.000 0.000 0.315 255 G C -1.612 173.414 174.900 0.211 0.000 1.231 255 G CA -0.725 44.542 45.100 0.278 0.000 0.968 255 G HN 0.561 nan 8.290 nan 0.000 0.482 256 I N -0.123 120.458 120.570 0.018 0.000 2.752 256 I HA 0.553 4.723 4.170 0.000 0.000 0.295 256 I C -1.717 174.435 176.117 0.059 0.000 1.219 256 I CA -1.250 59.986 61.300 -0.107 0.000 1.030 256 I CB 2.270 39.865 38.000 -0.674 0.000 1.259 256 I HN 0.674 nan 8.210 nan 0.000 0.423 257 W N 7.942 129.246 121.300 0.006 0.000 2.338 257 W HA 0.635 5.295 4.660 0.000 0.000 0.307 257 W C -0.701 175.802 176.519 -0.026 0.000 1.167 257 W CA 0.021 57.395 57.345 0.048 0.000 1.208 257 W CB 1.240 30.770 29.460 0.117 0.000 1.228 257 W HN 0.590 nan 8.180 nan 0.000 0.499 258 T N 2.595 116.534 114.554 -1.025 0.000 2.906 258 T HA 0.730 5.080 4.350 0.000 0.000 0.295 258 T C -0.710 172.908 174.700 -1.803 0.000 1.075 258 T CA -0.955 60.095 62.100 -1.749 0.000 1.005 258 T CB 1.702 69.694 68.868 -1.461 0.000 1.136 258 T HN 0.803 nan 8.240 nan 0.000 0.498 259 A N 2.922 124.777 122.820 -1.609 0.000 3.079 259 A HA 0.564 4.884 4.320 0.000 0.000 0.315 259 A C -1.421 176.029 177.584 -0.224 0.000 1.334 259 A CA -1.622 50.119 52.037 -0.493 0.000 1.048 259 A CB -0.032 19.026 19.000 0.096 0.000 1.156 259 A HN 0.714 nan 8.150 nan 0.000 0.523 260 P HA -0.102 nan 4.420 nan 0.000 0.221 260 P C 0.600 178.107 177.300 0.346 0.000 1.150 260 P CA 0.936 63.980 63.100 -0.093 0.000 0.800 260 P CB -0.007 31.573 31.700 -0.199 0.000 0.787 261 F N -0.051 119.990 119.950 0.151 0.000 2.797 261 F HA 0.173 4.700 4.527 0.000 0.000 0.302 261 F C 1.087 177.005 175.800 0.196 0.000 1.130 261 F CA -0.564 57.531 58.000 0.157 0.000 1.387 261 F CB -0.878 38.172 39.000 0.084 0.000 1.107 261 F HN -0.202 nan 8.300 nan 0.000 0.577 262 S N 0.348 116.295 115.700 0.411 0.000 2.501 262 S HA 0.686 5.156 4.470 0.000 0.000 0.301 262 S C -0.394 174.353 174.600 0.244 0.000 1.096 262 S CA -0.748 57.641 58.200 0.316 0.000 1.063 262 S CB 2.443 65.863 63.200 0.366 0.000 1.042 262 S HN -0.029 nan 8.310 nan 0.000 0.494 263 V N 0.374 120.348 119.914 0.101 0.000 2.569 263 V HA 0.770 4.890 4.120 0.000 0.000 0.301 263 V C 0.029 176.054 176.094 -0.114 0.000 1.044 263 V CA -1.006 61.305 62.300 0.018 0.000 0.874 263 V CB 1.159 33.029 31.823 0.079 0.000 1.002 263 V HN 0.883 nan 8.190 nan 0.000 0.424 264 S N 2.572 118.170 115.700 -0.169 0.000 2.585 264 S HA 0.199 4.669 4.470 0.000 0.000 0.273 264 S C 1.060 175.571 174.600 -0.148 0.000 1.339 264 S CA 0.330 58.400 58.200 -0.218 0.000 1.028 264 S CB 0.937 64.019 63.200 -0.198 0.000 0.906 264 S HN 1.176 nan 8.310 nan 0.000 0.528 265 E N 0.788 120.881 120.200 -0.178 0.000 2.267 265 E HA -0.209 4.141 4.350 0.000 0.000 0.197 265 E C 1.305 178.028 176.600 0.205 0.000 0.998 265 E CA 1.610 58.049 56.400 0.065 0.000 0.830 265 E CB -0.896 28.851 29.700 0.078 0.000 0.751 265 E HN 0.870 nan 8.360 nan 0.000 0.491 266 T N -0.878 113.714 114.554 0.062 0.000 3.081 266 T HA 0.062 4.412 4.350 0.000 0.000 0.250 266 T C 1.018 175.728 174.700 0.017 0.000 1.100 266 T CA 0.043 62.168 62.100 0.042 0.000 1.038 266 T CB 0.011 68.873 68.868 -0.010 0.000 0.962 266 T HN 0.221 nan 8.240 nan 0.000 0.516 267 S N 1.470 117.182 115.700 0.021 0.000 2.579 267 S HA 0.125 4.595 4.470 0.000 0.000 0.275 267 S C 0.544 175.142 174.600 -0.004 0.000 1.345 267 S CA -0.552 57.629 58.200 -0.032 0.000 1.031 267 S CB 0.744 63.905 63.200 -0.064 0.000 0.892 267 S HN 0.127 nan 8.310 nan 0.000 0.529 268 D N 1.148 121.517 120.400 -0.050 0.000 2.144 268 D HA -0.098 4.542 4.640 0.000 0.000 0.199 268 D C 1.913 178.161 176.300 -0.086 0.000 0.984 268 D CA 0.932 54.893 54.000 -0.065 0.000 0.834 268 D CB -0.415 40.353 40.800 -0.054 0.000 0.955 268 D HN 0.403 nan 8.370 nan 0.000 0.465 269 V N 0.270 120.157 119.914 -0.046 0.000 2.453 269 V HA -0.190 3.930 4.120 0.000 0.000 0.247 269 V C 1.984 178.004 176.094 -0.124 0.000 1.048 269 V CA 1.125 63.374 62.300 -0.084 0.000 1.049 269 V CB -0.392 31.400 31.823 -0.051 0.000 0.672 269 V HN 0.026 nan 8.190 nan 0.000 0.457 270 F N 1.830 121.679 119.950 -0.168 0.000 2.186 270 F HA -0.121 4.406 4.527 0.000 0.000 0.299 270 F C 2.073 177.755 175.800 -0.195 0.000 1.090 270 F CA 2.168 60.077 58.000 -0.152 0.000 1.307 270 F CB -0.712 38.255 39.000 -0.054 0.000 1.019 270 F HN 0.370 nan 8.300 nan 0.000 0.489 271 N N 0.284 118.813 118.700 -0.284 0.000 2.084 271 N HA -0.207 4.533 4.740 0.000 0.000 0.190 271 N C 1.667 176.910 175.510 -0.445 0.000 1.030 271 N CA 2.036 54.864 53.050 -0.369 0.000 0.849 271 N CB -0.196 38.172 38.487 -0.199 0.000 1.012 271 N HN 0.439 nan 8.380 nan 0.000 0.423 272 E N -1.708 118.215 120.200 -0.462 0.000 2.152 272 E HA -0.064 4.286 4.350 0.000 0.000 0.192 272 E C 0.020 176.025 176.600 -0.991 0.000 0.983 272 E CA 0.875 56.865 56.400 -0.684 0.000 0.818 272 E CB 0.112 29.382 29.700 -0.716 0.000 0.758 272 E HN 0.585 nan 8.360 nan 0.000 0.467 273 H N -0.803 117.874 119.070 -0.654 0.000 2.439 273 H HA 0.110 4.666 4.556 0.000 0.000 0.228 273 H C -2.004 172.970 175.328 -0.590 0.000 1.423 273 H CA -1.360 54.168 56.048 -0.867 0.000 1.386 273 H CB 0.894 29.534 29.762 -1.870 0.000 1.641 273 H HN 0.062 nan 8.280 nan 0.000 0.508 274 P HA -0.139 nan 4.420 nan 0.000 0.226 274 P C 0.777 178.025 177.300 -0.087 0.000 1.153 274 P CA 1.006 63.832 63.100 -0.458 0.000 0.777 274 P CB 0.472 31.762 31.700 -0.684 0.000 0.794 275 D N -2.386 117.988 120.400 -0.043 0.000 2.349 275 D HA -0.111 4.529 4.640 0.000 0.000 0.224 275 D C 0.801 177.265 176.300 0.273 0.000 1.029 275 D CA 0.011 54.065 54.000 0.090 0.000 0.879 275 D CB -0.698 40.151 40.800 0.082 0.000 0.906 275 D HN 0.128 nan 8.370 nan 0.000 0.528 276 W N 1.934 123.222 121.300 -0.021 0.000 3.290 276 W HA 0.173 4.833 4.660 0.000 0.000 0.287 276 W C 0.783 177.285 176.519 -0.028 0.000 1.288 276 W CA -0.676 56.637 57.345 -0.053 0.000 1.725 276 W CB -0.226 29.163 29.460 -0.118 0.000 1.103 276 W HN -0.157 nan 8.180 nan 0.000 0.670 277 V N -2.284 117.757 119.914 0.210 0.000 2.994 277 V HA 0.662 4.782 4.120 0.000 0.000 0.318 277 V C 0.155 176.295 176.094 0.076 0.000 1.085 277 V CA -1.457 60.925 62.300 0.137 0.000 0.998 277 V CB 1.164 33.061 31.823 0.124 0.000 1.063 277 V HN -0.303 nan 8.190 nan 0.000 0.447 278 V N 2.159 122.111 119.914 0.064 0.000 2.715 278 V HA 0.319 4.439 4.120 0.000 0.000 0.299 278 V C 0.407 176.528 176.094 0.045 0.000 1.054 278 V CA 0.033 62.356 62.300 0.038 0.000 1.077 278 V CB 0.615 32.453 31.823 0.025 0.000 0.972 278 V HN 0.985 nan 8.190 nan 0.000 0.484 279 K N 2.748 123.165 120.400 0.029 0.000 2.281 279 K HA 0.651 4.971 4.320 0.000 0.000 0.242 279 K C -0.747 175.874 176.600 0.035 0.000 0.971 279 K CA -0.705 55.600 56.287 0.030 0.000 0.834 279 K CB 2.175 34.687 32.500 0.019 0.000 1.181 279 K HN 0.760 nan 8.250 nan 0.000 0.435 280 E N 1.703 121.929 120.200 0.044 0.000 2.246 280 E HA 0.175 4.526 4.350 0.000 0.000 0.266 280 E C -1.058 175.564 176.600 0.037 0.000 0.880 280 E CA -0.488 55.940 56.400 0.046 0.000 0.762 280 E CB 0.696 30.436 29.700 0.067 0.000 1.180 280 E HN 0.548 nan 8.360 nan 0.000 0.416 281 N N 3.290 122.007 118.700 0.029 0.000 2.714 281 N HA -0.261 4.479 4.740 0.000 0.000 0.252 281 N C 0.650 176.170 175.510 0.017 0.000 1.014 281 N CA 1.430 54.493 53.050 0.022 0.000 0.735 281 N CB -1.177 37.324 38.487 0.024 0.000 0.924 281 N HN 0.997 nan 8.380 nan 0.000 0.540 282 G N -1.339 107.469 108.800 0.014 0.000 2.257 282 G HA2 -0.340 3.620 3.960 0.000 0.000 0.267 282 G HA3 -0.340 3.620 3.960 0.000 0.000 0.267 282 G C -0.126 174.777 174.900 0.005 0.000 0.984 282 G CA 0.922 46.027 45.100 0.007 0.000 0.626 282 G HN 0.504 nan 8.290 nan 0.000 0.540 283 E N 1.309 121.517 120.200 0.013 0.000 2.191 283 E HA 0.437 4.787 4.350 0.000 0.000 0.274 283 E C -2.518 174.088 176.600 0.010 0.000 0.948 283 E CA -2.300 54.105 56.400 0.009 0.000 0.802 283 E CB 1.540 31.254 29.700 0.023 0.000 1.137 283 E HN 0.127 nan 8.360 nan 0.000 0.397 284 P HA -0.077 nan 4.420 nan 0.000 0.260 284 P C -0.069 177.271 177.300 0.067 0.000 1.172 284 P CA 0.576 63.610 63.100 -0.111 0.000 0.760 284 P CB 0.766 32.155 31.700 -0.518 0.000 0.773 288 Y N -1.662 118.672 120.300 0.056 0.000 2.774 288 Y HA 0.778 5.328 4.550 0.000 0.000 0.346 288 Y C -0.958 174.763 175.900 -0.298 0.000 1.222 288 Y CA -1.181 56.849 58.100 -0.115 0.000 1.088 288 Y CB 0.351 38.803 38.460 -0.012 0.000 1.354 288 Y HN 0.235 nan 8.280 nan 0.000 0.455 289 R N 2.599 122.835 120.500 -0.441 0.000 2.437 289 R HA 0.665 5.005 4.340 0.000 0.000 0.310 289 R C -1.706 174.368 176.300 -0.376 0.000 0.955 289 R CA -0.563 55.297 56.100 -0.401 0.000 0.851 289 R CB 1.221 31.346 30.300 -0.291 0.000 1.161 289 R HN 0.916 nan 8.270 nan 0.000 0.446 290 N N 2.253 120.837 118.700 -0.193 0.000 2.961 290 N HA 0.201 4.941 4.740 0.000 0.000 0.245 290 N C -1.032 174.520 175.510 0.071 0.000 1.404 290 N CA -0.267 52.701 53.050 -0.137 0.000 0.880 290 N CB 0.844 39.159 38.487 -0.286 0.000 1.461 290 N HN 0.622 nan 8.380 nan 0.000 0.510 291 W N 1.453 122.817 121.300 0.107 0.000 4.551 291 W HA -0.264 4.397 4.660 0.000 0.000 0.343 291 W C 0.004 176.532 176.519 0.015 0.000 1.269 291 W CA 0.779 58.162 57.345 0.063 0.000 0.799 291 W CB -2.161 27.317 29.460 0.031 0.000 2.352 291 W HN 0.807 nan 8.180 nan 0.000 1.462 292 N N -0.704 118.077 118.700 0.135 0.000 2.725 292 N HA -0.209 4.531 4.740 0.000 0.000 0.249 292 N C 0.056 175.591 175.510 0.042 0.000 1.103 292 N CA 2.032 55.125 53.050 0.072 0.000 0.707 292 N CB -1.214 37.319 38.487 0.076 0.000 1.043 292 N HN 0.518 nan 8.380 nan 0.000 0.553 293 K N 0.286 120.702 120.400 0.026 0.000 2.512 293 K HA 0.403 4.723 4.320 0.000 0.000 0.263 293 K C -0.291 176.210 176.600 -0.164 0.000 0.966 293 K CA -0.830 55.428 56.287 -0.047 0.000 0.851 293 K CB 2.133 34.614 32.500 -0.032 0.000 1.395 293 K HN -0.099 nan 8.250 nan 0.000 0.440 294 K N 1.715 121.964 120.400 -0.252 0.000 2.350 294 K HA 0.278 4.598 4.320 0.000 0.000 0.279 294 K C -0.247 175.950 176.600 -0.673 0.000 1.027 294 K CA -0.265 55.749 56.287 -0.455 0.000 0.969 294 K CB 0.366 32.585 32.500 -0.468 0.000 0.954 294 K HN 0.324 nan 8.250 nan 0.000 0.474 295 I N 3.453 123.534 120.570 -0.814 0.000 2.465 295 I HA 0.274 4.445 4.170 0.000 0.000 0.291 295 I C -0.429 175.179 176.117 -0.849 0.000 1.014 295 I CA -0.890 59.907 61.300 -0.837 0.000 1.093 295 I CB 0.787 38.147 38.000 -1.068 0.000 1.267 295 I HN 0.474 nan 8.210 nan 0.000 0.431 296 Y N 3.082 123.186 120.300 -0.326 0.000 2.534 296 Y HA 0.741 5.291 4.550 0.000 0.000 0.329 296 Y C 0.577 176.438 175.900 -0.065 0.000 1.154 296 Y CA -1.018 56.955 58.100 -0.212 0.000 1.192 296 Y CB 1.396 39.645 38.460 -0.351 0.000 1.275 296 Y HN 0.637 nan 8.280 nan 0.000 0.491 297 A N 1.701 124.635 122.820 0.189 0.000 2.337 297 A HA 0.681 5.001 4.320 0.000 0.000 0.329 297 A C -1.038 176.631 177.584 0.140 0.000 1.146 297 A CA -0.769 51.373 52.037 0.174 0.000 0.800 297 A CB 0.446 19.539 19.000 0.155 0.000 1.220 297 A HN 0.765 nan 8.150 nan 0.000 0.472 298 L N 1.576 122.880 121.223 0.135 0.000 2.380 298 L HA 0.177 4.517 4.340 0.000 0.000 0.273 298 L C 0.089 176.946 176.870 -0.022 0.000 1.138 298 L CA -0.479 54.407 54.840 0.076 0.000 0.832 298 L CB 0.795 42.911 42.059 0.095 0.000 1.124 298 L HN 0.731 nan 8.230 nan 0.000 0.454 299 D N 3.921 124.301 120.400 -0.034 0.000 2.402 299 D HA 0.107 4.747 4.640 0.000 0.000 0.235 299 D C 0.592 176.800 176.300 -0.153 0.000 1.226 299 D CA 0.004 53.956 54.000 -0.080 0.000 0.918 299 D CB 0.719 41.491 40.800 -0.046 0.000 1.043 299 D HN 0.357 nan 8.370 nan 0.000 0.506 300 L N 2.765 123.874 121.223 -0.191 0.000 2.645 300 L HA 0.001 4.341 4.340 0.000 0.000 0.235 300 L C 2.097 178.860 176.870 -0.178 0.000 1.150 300 L CA 0.111 54.809 54.840 -0.238 0.000 0.911 300 L CB -0.280 41.551 42.059 -0.381 0.000 1.077 300 L HN 0.331 nan 8.230 nan 0.000 0.438 301 S N -1.595 114.020 115.700 -0.141 0.000 2.478 301 S HA 0.017 4.487 4.470 0.000 0.000 0.222 301 S C 0.935 175.462 174.600 -0.122 0.000 1.008 301 S CA -0.076 58.058 58.200 -0.110 0.000 0.928 301 S CB -0.044 63.107 63.200 -0.082 0.000 0.781 301 S HN 0.280 nan 8.310 nan 0.000 0.518 302 K N 2.189 122.493 120.400 -0.161 0.000 2.312 302 K HA 0.186 4.506 4.320 0.000 0.000 0.287 302 K C -0.160 176.300 176.600 -0.233 0.000 1.062 302 K CA -0.168 56.001 56.287 -0.197 0.000 0.934 302 K CB 0.771 33.109 32.500 -0.269 0.000 1.027 302 K HN 0.149 nan 8.250 nan 0.000 0.478 303 D N 3.077 123.372 120.400 -0.176 0.000 2.149 303 D HA -0.168 4.472 4.640 0.000 0.000 0.198 303 D C 1.117 177.297 176.300 -0.199 0.000 0.990 303 D CA 1.580 55.487 54.000 -0.154 0.000 0.839 303 D CB 0.347 41.085 40.800 -0.104 0.000 0.948 303 D HN 0.534 nan 8.370 nan 0.000 0.460 304 E N 0.238 120.271 120.200 -0.279 0.000 2.110 304 E HA -0.109 4.241 4.350 0.000 0.000 0.193 304 E C 2.295 178.455 176.600 -0.732 0.000 0.988 304 E CA 0.336 56.503 56.400 -0.388 0.000 0.804 304 E CB -0.162 29.305 29.700 -0.388 0.000 0.745 304 E HN 0.112 nan 8.360 nan 0.000 0.458 305 V N 0.576 119.964 119.914 -0.877 0.000 2.379 305 V HA -0.193 3.927 4.120 0.000 0.000 0.245 305 V C 2.151 178.121 176.094 -0.206 0.000 1.044 305 V CA 1.329 63.152 62.300 -0.795 0.000 1.036 305 V CB -0.405 31.056 31.823 -0.603 0.000 0.664 305 V HN 0.246 nan 8.190 nan 0.000 0.453 306 L N 0.319 121.447 121.223 -0.159 0.000 2.083 306 L HA -0.157 4.183 4.340 0.000 0.000 0.209 306 L C 2.450 179.363 176.870 0.071 0.000 1.083 306 L CA 1.388 56.216 54.840 -0.021 0.000 0.752 306 L CB -0.792 41.227 42.059 -0.067 0.000 0.899 306 L HN 0.386 nan 8.230 nan 0.000 0.433 307 N N -0.536 118.177 118.700 0.022 0.000 2.120 307 N HA -0.236 4.504 4.740 0.000 0.000 0.188 307 N C 1.460 177.108 175.510 0.230 0.000 1.024 307 N CA 1.289 54.403 53.050 0.106 0.000 0.852 307 N CB -0.503 38.015 38.487 0.051 0.000 1.003 307 N HN 0.438 nan 8.380 nan 0.000 0.424 308 W N 1.765 123.064 121.300 -0.001 0.000 2.363 308 W HA 0.007 4.668 4.660 0.000 0.000 0.296 308 W C 1.848 178.455 176.519 0.146 0.000 1.212 308 W CA 0.907 58.307 57.345 0.091 0.000 1.260 308 W CB -0.314 29.186 29.460 0.067 0.000 1.131 308 W HN -0.024 nan 8.180 nan 0.000 0.530 309 L N -0.661 120.768 121.223 0.343 0.000 2.056 309 L HA -0.169 4.171 4.340 0.000 0.000 0.207 309 L C 2.448 179.412 176.870 0.157 0.000 1.078 309 L CA 1.337 56.314 54.840 0.229 0.000 0.749 309 L CB -1.032 41.230 42.059 0.339 0.000 0.901 309 L HN 0.007 nan 8.230 nan 0.000 0.433 310 F N 1.342 121.317 119.950 0.042 0.000 2.095 310 F HA -0.286 4.241 4.527 0.000 0.000 0.298 310 F C 2.204 177.998 175.800 -0.011 0.000 1.104 310 F CA 1.916 59.922 58.000 0.010 0.000 1.232 310 F CB -0.169 38.827 39.000 -0.007 0.000 0.987 310 F HN 0.127 nan 8.300 nan 0.000 0.475 311 D N 0.314 120.766 120.400 0.086 0.000 2.123 311 D HA -0.193 4.447 4.640 0.000 0.000 0.196 311 D C 2.202 178.385 176.300 -0.195 0.000 0.992 311 D CA 1.486 55.471 54.000 -0.024 0.000 0.833 311 D CB -0.761 40.055 40.800 0.026 0.000 0.954 311 D HN 0.327 nan 8.370 nan 0.000 0.455 312 L N -0.279 120.752 121.223 -0.321 0.000 1.989 312 L HA -0.136 4.204 4.340 0.000 0.000 0.211 312 L C 2.019 178.611 176.870 -0.463 0.000 1.071 312 L CA 1.701 56.258 54.840 -0.471 0.000 0.749 312 L CB -0.800 40.808 42.059 -0.751 0.000 0.890 312 L HN -0.080 nan 8.230 nan 0.000 0.431 313 F N -0.722 119.001 119.950 -0.379 0.000 2.367 313 F HA -0.050 4.477 4.527 0.000 0.000 0.298 313 F C 2.564 178.131 175.800 -0.387 0.000 1.094 313 F CA 1.161 58.912 58.000 -0.414 0.000 1.409 313 F CB -0.643 38.033 39.000 -0.540 0.000 1.064 313 F HN 0.036 nan 8.300 nan 0.000 0.528 314 S N -0.277 115.227 115.700 -0.328 0.000 2.368 314 S HA -0.192 4.278 4.470 0.000 0.000 0.225 314 S C 2.281 176.811 174.600 -0.117 0.000 1.030 314 S CA 1.649 59.667 58.200 -0.303 0.000 0.999 314 S CB -0.505 62.452 63.200 -0.405 0.000 0.844 314 S HN 0.485 nan 8.310 nan 0.000 0.459 315 S N 1.609 117.245 115.700 -0.106 0.000 2.414 315 S HA 0.126 4.596 4.470 0.000 0.000 0.227 315 S C 1.808 176.429 174.600 0.034 0.000 1.022 315 S CA 0.438 58.617 58.200 -0.034 0.000 0.958 315 S CB -0.598 62.576 63.200 -0.042 0.000 0.797 315 S HN 0.367 nan 8.310 nan 0.000 0.493 316 L N 0.999 122.239 121.223 0.029 0.000 2.017 316 L HA -0.082 4.258 4.340 0.000 0.000 0.208 316 L C 3.025 180.126 176.870 0.385 0.000 1.073 316 L CA 1.579 56.557 54.840 0.229 0.000 0.745 316 L CB -0.493 41.673 42.059 0.179 0.000 0.894 316 L HN 0.279 nan 8.230 nan 0.000 0.432 317 R N 1.074 121.759 120.500 0.308 0.000 2.082 317 R HA -0.093 4.247 4.340 0.000 0.000 0.234 317 R C 1.114 177.512 176.300 0.163 0.000 1.136 317 R CA 1.347 57.619 56.100 0.286 0.000 0.935 317 R CB -0.372 30.016 30.300 0.148 0.000 0.842 317 R HN 0.129 nan 8.270 nan 0.000 0.430 321 Y N 1.242 121.562 120.300 0.033 0.000 2.465 321 Y HA 0.478 5.028 4.550 0.000 0.000 0.331 321 Y C 1.583 177.420 175.900 -0.106 0.000 1.102 321 Y CA 0.354 58.391 58.100 -0.105 0.000 1.358 321 Y CB 0.919 39.243 38.460 -0.226 0.000 1.213 321 Y HN -0.001 nan 8.280 nan 0.000 0.525 322 R N 2.223 122.728 120.500 0.009 0.000 2.600 322 R HA 0.142 4.482 4.340 0.000 0.000 0.392 322 R C -1.422 174.970 176.300 0.154 0.000 1.032 322 R CA -0.302 55.884 56.100 0.142 0.000 1.139 322 R CB 0.634 31.047 30.300 0.190 0.000 1.400 322 R HN 0.626 nan 8.270 nan 0.000 0.566 323 Y N 0.096 120.191 120.300 -0.340 0.000 2.332 323 Y HA 0.387 4.937 4.550 0.000 0.000 0.325 323 Y C -1.773 173.892 175.900 -0.391 0.000 1.054 323 Y CA -1.314 56.710 58.100 -0.127 0.000 1.119 323 Y CB 0.979 39.433 38.460 -0.011 0.000 1.168 323 Y HN -0.142 nan 8.280 nan 0.000 0.439 324 F N 5.600 125.469 119.950 -0.136 0.000 2.445 324 F HA 0.409 4.936 4.527 0.000 0.000 0.348 324 F C -0.184 175.460 175.800 -0.261 0.000 1.125 324 F CA -0.922 57.010 58.000 -0.114 0.000 0.983 324 F CB 1.671 40.636 39.000 -0.057 0.000 1.198 324 F HN 0.321 nan 8.300 nan 0.000 0.436 325 K N 5.912 126.294 120.400 -0.030 0.000 2.273 325 K HA 0.499 4.820 4.320 0.000 0.000 0.287 325 K C -0.680 175.828 176.600 -0.155 0.000 1.089 325 K CA -0.376 55.889 56.287 -0.037 0.000 0.909 325 K CB 0.326 32.930 32.500 0.173 0.000 1.123 325 K HN 0.749 nan 8.250 nan 0.000 0.473 326 I N 0.918 121.354 120.570 -0.225 0.000 2.339 326 I HA 0.464 4.634 4.170 0.000 0.000 0.290 326 I C -0.613 175.302 176.117 -0.338 0.000 0.994 326 I CA -0.755 60.323 61.300 -0.370 0.000 1.191 326 I CB 1.430 39.168 38.000 -0.436 0.000 1.343 326 I HN 0.382 nan 8.210 nan 0.000 0.458 327 D N 4.938 125.135 120.400 -0.339 0.000 2.450 327 D HA 0.496 5.136 4.640 0.000 0.000 0.238 327 D C -0.036 176.319 176.300 0.093 0.000 1.020 327 D CA -0.603 53.353 54.000 -0.074 0.000 1.010 327 D CB 1.414 42.384 40.800 0.283 0.000 1.342 327 D HN 0.563 nan 8.370 nan 0.000 0.530 328 F N -0.058 119.876 119.950 -0.027 0.000 3.090 328 F HA -0.233 4.294 4.527 0.000 0.000 0.282 328 F C 1.573 177.149 175.800 -0.373 0.000 0.923 328 F CA 0.086 57.982 58.000 -0.173 0.000 0.977 328 F CB -1.645 37.361 39.000 0.011 0.000 0.954 328 F HN 0.342 nan 8.300 nan 0.000 0.695 329 L N -0.677 120.448 121.223 -0.163 0.000 2.275 329 L HA -0.186 4.154 4.340 0.000 0.000 0.215 329 L C 2.685 179.681 176.870 0.210 0.000 1.119 329 L CA 1.326 56.198 54.840 0.053 0.000 0.790 329 L CB -0.603 41.514 42.059 0.096 0.000 0.919 329 L HN 0.508 nan 8.230 nan 0.000 0.443 330 F N 0.467 120.389 119.950 -0.046 0.000 2.236 330 F HA -0.188 4.340 4.527 0.000 0.000 0.302 330 F C 2.363 178.277 175.800 0.191 0.000 1.073 330 F CA 0.783 58.705 58.000 -0.130 0.000 1.336 330 F CB -1.099 37.729 39.000 -0.287 0.000 1.040 330 F HN -0.044 nan 8.300 nan 0.000 0.507 331 A N 1.348 123.925 122.820 -0.404 0.000 1.940 331 A HA 0.010 4.330 4.320 0.000 0.000 0.219 331 A C 2.485 180.181 177.584 0.187 0.000 1.176 331 A CA 1.597 53.610 52.037 -0.041 0.000 0.631 331 A CB -1.731 17.307 19.000 0.064 0.000 0.814 331 A HN 0.554 nan 8.150 nan 0.000 0.446 332 G N -1.434 107.547 108.800 0.302 0.000 2.598 332 G HA2 0.228 4.188 3.960 0.000 0.000 0.215 332 G HA3 0.228 4.188 3.960 0.000 0.000 0.215 332 G C 1.046 176.032 174.900 0.143 0.000 1.131 332 G CA 0.911 46.085 45.100 0.124 0.000 0.785 332 G HN 0.877 nan 8.290 nan 0.000 0.539 333 A N 0.328 123.293 122.820 0.242 0.000 2.500 333 A HA 0.541 4.861 4.320 0.000 0.000 0.267 333 A C 0.856 178.476 177.584 0.059 0.000 1.290 333 A CA -0.007 52.117 52.037 0.144 0.000 0.928 333 A CB -0.239 18.833 19.000 0.119 0.000 1.066 333 A HN 0.620 nan 8.150 nan 0.000 0.516 334 V N -1.262 118.663 119.914 0.018 0.000 2.715 334 V HA 0.369 4.489 4.120 0.000 0.000 0.299 334 V C -2.450 173.447 176.094 -0.328 0.000 1.054 334 V CA -2.033 60.135 62.300 -0.222 0.000 1.077 334 V CB 0.323 31.994 31.823 -0.255 0.000 0.972 334 V HN 0.293 nan 8.190 nan 0.000 0.484 335 P HA 0.520 nan 4.420 nan 0.000 0.268 335 P C 0.229 177.420 177.300 -0.181 0.000 1.204 335 P CA 0.860 63.780 63.100 -0.300 0.000 0.768 335 P CB 1.012 32.633 31.700 -0.132 0.000 0.842 336 G N 1.990 110.724 108.800 -0.109 0.000 2.324 336 G HA2 0.131 4.091 3.960 0.000 0.000 0.293 336 G HA3 0.131 4.091 3.960 0.000 0.000 0.293 336 G C -1.778 173.101 174.900 -0.035 0.000 1.297 336 G CA -0.761 44.312 45.100 -0.046 0.000 0.853 336 G HN 0.423 nan 8.290 nan 0.000 0.535 337 E N 0.363 120.555 120.200 -0.012 0.000 2.229 337 E HA 0.581 4.931 4.350 0.000 0.000 0.283 337 E C 0.201 176.791 176.600 -0.018 0.000 1.030 337 E CA -0.121 56.273 56.400 -0.011 0.000 0.836 337 E CB 1.430 31.131 29.700 0.002 0.000 1.068 337 E HN 0.402 nan 8.360 nan 0.000 0.401 338 R N 1.730 122.213 120.500 -0.028 0.000 2.912 338 R HA 0.211 4.551 4.340 0.000 0.000 0.262 338 R C 0.808 177.089 176.300 -0.031 0.000 1.057 338 R CA -0.906 55.174 56.100 -0.034 0.000 0.981 338 R CB 0.952 31.220 30.300 -0.053 0.000 1.201 338 R HN 0.295 nan 8.270 nan 0.000 0.484 339 K N 1.453 121.833 120.400 -0.034 0.000 2.009 339 K HA -0.073 4.247 4.320 0.000 0.000 0.210 339 K C -0.146 176.432 176.600 -0.036 0.000 1.049 339 K CA 1.744 58.012 56.287 -0.032 0.000 0.929 339 K CB 0.075 32.551 32.500 -0.040 0.000 0.714 339 K HN 0.278 nan 8.250 nan 0.000 0.440 340 K N 1.436 121.809 120.400 -0.045 0.000 2.144 340 K HA 0.148 4.468 4.320 0.000 0.000 0.270 340 K C -0.642 175.931 176.600 -0.046 0.000 1.005 340 K CA -0.554 55.707 56.287 -0.044 0.000 0.932 340 K CB 0.825 33.298 32.500 -0.044 0.000 1.021 340 K HN 0.133 nan 8.250 nan 0.000 0.462 341 N N 3.641 122.310 118.700 -0.052 0.000 2.968 341 N HA 0.139 4.879 4.740 0.000 0.000 0.271 341 N C -0.143 175.319 175.510 -0.081 0.000 1.174 341 N CA 0.092 53.103 53.050 -0.065 0.000 1.096 341 N CB -0.271 38.170 38.487 -0.077 0.000 1.403 341 N HN 0.500 nan 8.380 nan 0.000 0.522 342 I N -2.803 117.737 120.570 -0.049 0.000 3.206 342 I HA 0.589 4.759 4.170 0.000 0.000 0.313 342 I C 0.614 176.738 176.117 0.011 0.000 1.103 342 I CA -1.037 60.255 61.300 -0.013 0.000 0.985 342 I CB 1.765 39.770 38.000 0.009 0.000 1.240 342 I HN -0.017 nan 8.210 nan 0.000 0.464 343 T N -1.308 113.294 114.554 0.080 0.000 2.828 343 T HA 0.365 4.715 4.350 0.000 0.000 0.290 343 T C -1.959 172.680 174.700 -0.102 0.000 1.019 343 T CA -1.322 60.804 62.100 0.043 0.000 1.031 343 T CB 0.838 69.833 68.868 0.211 0.000 1.001 343 T HN 0.517 nan 8.240 nan 0.000 0.531 344 P HA 0.098 nan 4.420 nan 0.000 0.225 344 P C 1.219 178.454 177.300 -0.108 0.000 1.148 344 P CA 0.714 63.633 63.100 -0.301 0.000 0.779 344 P CB -0.046 31.283 31.700 -0.619 0.000 0.780 345 I N -1.279 119.259 120.570 -0.053 0.000 2.494 345 I HA -0.126 4.044 4.170 0.000 0.000 0.250 345 I C 2.304 178.520 176.117 0.165 0.000 1.112 345 I CA 0.879 62.247 61.300 0.114 0.000 1.438 345 I CB -0.486 37.613 38.000 0.164 0.000 1.111 345 I HN -0.096 nan 8.210 nan 0.000 0.431 346 Q N 0.955 120.828 119.800 0.121 0.000 2.135 346 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 346 Q C 2.406 178.444 176.000 0.063 0.000 0.981 346 Q CA 1.916 57.785 55.803 0.110 0.000 0.856 346 Q CB -0.225 28.581 28.738 0.114 0.000 0.902 346 Q HN 0.565 nan 8.270 nan 0.000 0.425 347 A N 0.414 123.252 122.820 0.029 0.000 1.872 347 A HA -0.171 4.149 4.320 0.000 0.000 0.214 347 A C 1.840 179.384 177.584 -0.066 0.000 1.187 347 A CA 0.935 52.948 52.037 -0.041 0.000 0.614 347 A CB -0.834 18.122 19.000 -0.073 0.000 0.826 347 A HN 0.449 nan 8.150 nan 0.000 0.442 348 F N 1.170 121.034 119.950 -0.143 0.000 2.063 348 F HA -0.283 4.244 4.527 0.000 0.000 0.298 348 F C 2.433 178.186 175.800 -0.079 0.000 1.109 348 F CA 2.345 60.260 58.000 -0.143 0.000 1.212 348 F CB -0.222 38.778 39.000 0.000 0.000 0.973 348 F HN 0.141 nan 8.300 nan 0.000 0.480 349 R N 0.237 120.795 120.500 0.097 0.000 2.096 349 R HA -0.142 4.198 4.340 0.000 0.000 0.235 349 R C 2.197 178.434 176.300 -0.106 0.000 1.127 349 R CA 1.614 57.713 56.100 -0.001 0.000 0.968 349 R CB -0.428 29.936 30.300 0.106 0.000 0.861 349 R HN 0.342 nan 8.270 nan 0.000 0.440 350 K N 0.066 120.407 120.400 -0.100 0.000 2.057 350 K HA -0.105 4.216 4.320 0.000 0.000 0.207 350 K C 2.229 178.733 176.600 -0.160 0.000 1.049 350 K CA 1.405 57.626 56.287 -0.111 0.000 0.931 350 K CB -0.336 32.105 32.500 -0.100 0.000 0.714 350 K HN 0.294 nan 8.250 nan 0.000 0.440 351 G N 2.326 110.960 108.800 -0.277 0.000 2.480 351 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 351 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 351 G C 1.589 176.437 174.900 -0.087 0.000 1.200 351 G CA 1.360 46.279 45.100 -0.302 0.000 0.782 351 G HN 0.424 nan 8.290 nan 0.000 0.554 352 I N -1.645 118.811 120.570 -0.189 0.000 2.439 352 I HA 0.087 4.257 4.170 0.000 0.000 0.251 352 I C 2.285 178.285 176.117 -0.194 0.000 1.139 352 I CA 1.572 62.743 61.300 -0.214 0.000 1.438 352 I CB -0.383 37.413 38.000 -0.340 0.000 1.085 352 I HN 0.132 nan 8.210 nan 0.000 0.427 353 E N 1.341 121.453 120.200 -0.147 0.000 2.153 353 E HA -0.145 4.205 4.350 0.000 0.000 0.194 353 E C 2.111 178.661 176.600 -0.084 0.000 0.988 353 E CA 1.968 58.308 56.400 -0.101 0.000 0.811 353 E CB -0.131 29.528 29.700 -0.068 0.000 0.746 353 E HN 0.538 nan 8.360 nan 0.000 0.466 354 T N 1.034 115.544 114.554 -0.073 0.000 2.737 354 T HA -0.105 4.246 4.350 0.000 0.000 0.265 354 T C 1.932 176.591 174.700 -0.067 0.000 1.038 354 T CA 0.853 62.954 62.100 0.001 0.000 1.144 354 T CB -0.155 68.731 68.868 0.031 0.000 0.866 354 T HN 0.117 nan 8.240 nan 0.000 0.434 355 I N 0.884 121.301 120.570 -0.254 0.000 2.163 355 I HA -0.207 3.963 4.170 0.000 0.000 0.243 355 I C 2.793 178.616 176.117 -0.489 0.000 1.085 355 I CA 1.299 62.247 61.300 -0.587 0.000 1.347 355 I CB -0.346 37.118 38.000 -0.893 0.000 1.044 355 I HN 0.106 nan 8.210 nan 0.000 0.408 356 R N 1.600 121.901 120.500 -0.331 0.000 2.083 356 R HA -0.205 4.135 4.340 0.000 0.000 0.237 356 R C 2.270 178.481 176.300 -0.147 0.000 1.137 356 R CA 1.753 57.712 56.100 -0.235 0.000 0.951 356 R CB -0.339 29.862 30.300 -0.166 0.000 0.851 356 R HN 0.181 nan 8.270 nan 0.000 0.434 357 K N -0.638 119.721 120.400 -0.068 0.000 2.097 357 K HA -0.045 4.275 4.320 0.000 0.000 0.205 357 K C 1.870 178.502 176.600 0.053 0.000 1.050 357 K CA 1.245 57.562 56.287 0.050 0.000 0.938 357 K CB -0.140 32.446 32.500 0.142 0.000 0.718 357 K HN 0.287 nan 8.250 nan 0.000 0.442 358 A N 0.875 123.625 122.820 -0.117 0.000 1.902 358 A HA -0.123 4.197 4.320 0.000 0.000 0.217 358 A C 2.080 179.461 177.584 -0.338 0.000 1.181 358 A CA 1.876 53.595 52.037 -0.530 0.000 0.623 358 A CB -0.568 17.993 19.000 -0.732 0.000 0.818 358 A HN 0.278 nan 8.150 nan 0.000 0.443 359 V N -3.476 116.255 119.914 -0.306 0.000 3.406 359 V HA 0.495 4.615 4.120 0.000 0.000 0.263 359 V C 1.164 177.218 176.094 -0.066 0.000 1.172 359 V CA 0.433 62.585 62.300 -0.247 0.000 1.140 359 V CB -1.475 30.032 31.823 -0.527 0.000 0.784 359 V HN 1.773 nan 8.190 nan 0.000 0.467 360 G N 0.720 109.481 108.800 -0.064 0.000 2.829 360 G HA2 -0.188 3.772 3.960 0.000 0.000 0.628 360 G HA3 -0.188 3.772 3.960 0.000 0.000 0.628 360 G C 0.104 175.012 174.900 0.013 0.000 1.412 360 G CA 0.172 45.271 45.100 -0.001 0.000 0.864 360 G HN 0.302 nan 8.290 nan 0.000 0.544 361 E N -0.012 120.206 120.200 0.030 0.000 2.358 361 E HA -0.008 4.342 4.350 0.000 0.000 0.195 361 E C 1.216 177.855 176.600 0.066 0.000 1.010 361 E CA 1.126 57.546 56.400 0.033 0.000 0.856 361 E CB 0.067 29.786 29.700 0.032 0.000 0.795 361 E HN 0.525 nan 8.360 nan 0.000 0.504 362 D N 0.202 120.656 120.400 0.091 0.000 2.388 362 D HA 0.094 4.735 4.640 0.000 0.000 0.221 362 D C -0.201 176.212 176.300 0.187 0.000 1.133 362 D CA 0.104 54.181 54.000 0.128 0.000 0.831 362 D CB 0.479 41.344 40.800 0.109 0.000 0.962 362 D HN -0.171 nan 8.370 nan 0.000 0.502 363 S N 0.344 116.162 115.700 0.197 0.000 2.525 363 S HA 0.396 4.866 4.470 0.000 0.000 0.290 363 S C -0.510 174.266 174.600 0.293 0.000 1.152 363 S CA -0.643 57.746 58.200 0.316 0.000 1.072 363 S CB 1.414 64.856 63.200 0.402 0.000 1.027 363 S HN 0.106 nan 8.310 nan 0.000 0.500 364 F N 3.312 123.394 119.950 0.221 0.000 2.410 364 F HA 0.566 5.093 4.527 0.000 0.000 0.349 364 F C -0.639 175.170 175.800 0.015 0.000 1.117 364 F CA -0.778 57.294 58.000 0.120 0.000 1.104 364 F CB 0.319 39.430 39.000 0.184 0.000 1.122 364 F HN 0.395 nan 8.300 nan 0.000 0.483 365 I N 7.559 127.946 120.570 -0.306 0.000 2.362 365 I HA 0.253 4.423 4.170 0.000 0.000 0.289 365 I C -1.204 174.709 176.117 -0.340 0.000 0.994 365 I CA -0.980 60.181 61.300 -0.231 0.000 1.158 365 I CB 1.673 39.512 38.000 -0.268 0.000 1.315 365 I HN 0.421 nan 8.210 nan 0.000 0.451 366 L N 7.239 128.342 121.223 -0.200 0.000 2.277 366 L HA 0.631 4.971 4.340 0.000 0.000 0.284 366 L C 0.455 177.205 176.870 -0.199 0.000 1.028 366 L CA 0.045 54.799 54.840 -0.144 0.000 0.835 366 L CB 0.943 42.954 42.059 -0.079 0.000 1.215 366 L HN 0.598 nan 8.230 nan 0.000 0.425 367 G N 3.533 112.173 108.800 -0.266 0.000 2.544 367 G HA2 0.405 4.365 3.960 0.000 0.000 0.242 367 G HA3 0.405 4.365 3.960 0.000 0.000 0.242 367 G C -0.933 173.811 174.900 -0.261 0.000 1.247 367 G CA -0.100 44.829 45.100 -0.286 0.000 0.840 367 G HN 0.811 nan 8.290 nan 0.000 0.578 368 C N -0.042 119.100 119.300 -0.265 0.000 3.171 368 C HA 0.651 5.111 4.460 0.000 0.000 0.336 368 C C 0.877 175.571 174.990 -0.494 0.000 1.198 368 C CA 0.546 59.405 59.018 -0.265 0.000 1.319 368 C CB 0.654 28.365 27.740 -0.048 0.000 1.682 368 C HN 2.177 nan 8.230 nan 0.000 0.497 369 G N 3.709 111.903 108.800 -1.009 0.000 2.390 369 G HA2 -0.131 3.830 3.960 0.000 0.000 0.299 369 G HA3 -0.131 3.830 3.960 0.000 0.000 0.299 369 G C -0.080 174.309 174.900 -0.851 0.000 1.002 369 G CA 1.084 45.101 45.100 -1.805 0.000 0.979 369 G HN 1.509 nan 8.290 nan 0.000 0.513 370 S N -0.183 115.127 115.700 -0.649 0.000 2.513 370 S HA 0.744 5.214 4.470 0.000 0.000 0.299 370 S C -2.503 171.817 174.600 -0.467 0.000 1.087 370 S CA -1.573 56.389 58.200 -0.397 0.000 1.012 370 S CB 1.953 65.010 63.200 -0.238 0.000 1.044 370 S HN 0.047 nan 8.310 nan 0.000 0.485 371 P HA 0.033 nan 4.420 nan 0.000 0.261 371 P C 0.414 177.687 177.300 -0.045 0.000 1.173 371 P CA 0.219 63.029 63.100 -0.483 0.000 0.760 371 P CB 0.341 31.618 31.700 -0.706 0.000 0.783 372 L N 3.279 124.650 121.223 0.248 0.000 2.051 372 L HA -0.064 4.276 4.340 0.000 0.000 0.202 372 L C 2.401 179.456 176.870 0.308 0.000 1.097 372 L CA 0.937 56.033 54.840 0.427 0.000 0.762 372 L CB -0.846 41.582 42.059 0.615 0.000 0.913 372 L HN 0.393 nan 8.230 nan 0.000 0.447 373 L N 0.112 121.210 121.223 -0.209 0.000 2.021 373 L HA -0.216 4.125 4.340 0.000 0.000 0.215 373 L C -0.211 176.580 176.870 -0.133 0.000 1.074 373 L CA 1.873 56.477 54.840 -0.394 0.000 0.760 373 L CB -1.576 39.927 42.059 -0.928 0.000 0.889 373 L HN 0.243 nan 8.230 nan 0.000 0.433 374 P HA -0.132 nan 4.420 nan 0.000 0.220 374 P C 0.995 178.471 177.300 0.293 0.000 1.148 374 P CA 1.468 64.663 63.100 0.158 0.000 0.803 374 P CB 0.005 31.805 31.700 0.166 0.000 0.782 375 A N -1.066 121.955 122.820 0.335 0.000 2.218 375 A HA 0.093 4.413 4.320 0.000 0.000 0.209 375 A C 0.857 178.601 177.584 0.268 0.000 1.168 375 A CA 0.106 52.343 52.037 0.333 0.000 0.804 375 A CB -0.762 18.424 19.000 0.310 0.000 0.834 375 A HN -0.011 nan 8.150 nan 0.000 0.482 376 V N 0.304 120.346 119.914 0.213 0.000 2.599 376 V HA 0.412 4.532 4.120 0.000 0.000 0.300 376 V C 1.548 177.648 176.094 0.010 0.000 1.034 376 V CA 1.286 63.627 62.300 0.069 0.000 1.115 376 V CB 0.208 31.845 31.823 -0.309 0.000 0.934 376 V HN 1.056 nan 8.190 nan 0.000 0.485 377 G N 2.588 111.398 108.800 0.016 0.000 2.176 377 G HA2 -0.251 3.709 3.960 0.000 0.000 0.232 377 G HA3 -0.251 3.709 3.960 0.000 0.000 0.232 377 G C 0.531 175.421 174.900 -0.017 0.000 0.986 377 G CA 0.275 45.364 45.100 -0.019 0.000 0.643 377 G HN 0.919 nan 8.290 nan 0.000 0.522 378 C N -0.656 118.642 119.300 -0.004 0.000 2.904 378 C HA 0.592 5.052 4.460 0.000 0.000 0.524 378 C C 1.643 176.576 174.990 -0.096 0.000 1.313 378 C CA 1.471 60.457 59.018 -0.052 0.000 2.614 378 C CB -0.250 27.463 27.740 -0.045 0.000 3.335 378 C HN 1.235 nan 8.230 nan 0.000 0.519 379 V N 1.257 121.135 119.914 -0.061 0.000 2.834 379 V HA 0.440 4.560 4.120 0.000 0.000 0.301 379 V C 0.507 176.513 176.094 -0.145 0.000 1.066 379 V CA 0.560 62.770 62.300 -0.150 0.000 1.052 379 V CB 0.878 32.596 31.823 -0.174 0.000 1.021 379 V HN 0.431 nan 8.190 nan 0.000 0.480 380 D N 2.603 122.776 120.400 -0.379 0.000 2.277 380 D HA 0.236 4.876 4.640 0.000 0.000 0.209 380 D C 0.785 176.897 176.300 -0.314 0.000 0.970 380 D CA 1.486 55.194 54.000 -0.487 0.000 0.874 380 D CB 0.950 41.045 40.800 -1.175 0.000 0.982 380 D HN 0.860 nan 8.370 nan 0.000 0.504 384 I N -1.466 119.064 120.570 -0.066 0.000 3.936 384 I HA 0.515 4.685 4.170 0.000 0.000 0.330 384 I C 0.540 176.674 176.117 0.028 0.000 1.509 384 I CA -0.538 60.751 61.300 -0.019 0.000 1.126 384 I CB 1.286 39.300 38.000 0.023 0.000 1.115 384 I HN 0.530 nan 8.210 nan 0.000 0.424 385 G N 0.438 109.277 108.800 0.064 0.000 2.682 385 G HA2 0.666 4.626 3.960 0.000 0.000 0.290 385 G HA3 0.666 4.626 3.960 0.000 0.000 0.290 385 G C -3.340 171.689 174.900 0.216 0.000 1.425 385 G CA -1.331 43.835 45.100 0.111 0.000 0.807 385 G HN -0.109 nan 8.290 nan 0.000 0.482 386 P HA 0.189 nan 4.420 nan 0.000 0.274 386 P C -0.754 176.566 177.300 0.032 0.000 1.260 386 P CA -0.266 62.895 63.100 0.102 0.000 0.793 386 P CB 0.698 32.409 31.700 0.018 0.000 1.048 387 D N -0.348 119.993 120.400 -0.099 0.000 2.443 387 D HA 0.086 4.726 4.640 0.000 0.000 0.239 387 D C 0.829 177.116 176.300 -0.023 0.000 1.136 387 D CA 0.559 54.577 54.000 0.031 0.000 0.879 387 D CB 0.112 40.988 40.800 0.125 0.000 1.195 387 D HN 0.202 nan 8.370 nan 0.000 0.443 388 T N -0.138 114.320 114.554 -0.161 0.000 2.729 388 T HA 0.612 4.962 4.350 0.000 0.000 0.298 388 T C -0.522 173.990 174.700 -0.313 0.000 1.013 388 T CA -0.197 61.710 62.100 -0.322 0.000 0.957 388 T CB 0.490 69.033 68.868 -0.541 0.000 1.130 388 T HN 0.437 nan 8.240 nan 0.000 0.526 389 A N 1.207 123.742 122.820 -0.475 0.000 2.610 389 A HA 0.680 5.000 4.320 0.000 0.000 0.291 389 A C -2.680 174.592 177.584 -0.520 0.000 1.086 389 A CA -1.215 50.490 52.037 -0.553 0.000 0.677 389 A CB 1.222 19.445 19.000 -1.295 0.000 1.278 389 A HN 0.584 nan 8.150 nan 0.000 0.414 390 P HA 0.298 nan 4.420 nan 0.000 0.254 390 P C -0.931 176.398 177.300 0.048 0.000 1.631 390 P CA 0.531 63.578 63.100 -0.090 0.000 0.861 390 P CB -1.201 30.543 31.700 0.074 0.000 1.663 391 F N -5.463 114.531 119.950 0.074 0.000 2.703 391 F HA 0.361 4.888 4.527 0.000 0.000 0.308 391 F C 0.831 176.728 175.800 0.162 0.000 1.126 391 F CA -1.498 56.581 58.000 0.133 0.000 0.959 391 F CB 0.035 39.132 39.000 0.161 0.000 1.297 391 F HN -0.214 nan 8.300 nan 0.000 0.441 392 W N 1.891 123.301 121.300 0.183 0.000 2.354 392 W HA 0.173 4.833 4.660 0.000 0.000 0.315 392 W C 1.229 177.794 176.519 0.076 0.000 1.206 392 W CA 2.654 60.038 57.345 0.065 0.000 1.290 392 W CB -0.082 29.408 29.460 0.049 0.000 1.152 392 W HN 1.170 nan 8.180 nan 0.000 0.489 393 G N 0.751 109.762 108.800 0.352 0.000 2.173 393 G HA2 -0.297 3.663 3.960 0.000 0.000 0.174 393 G HA3 -0.297 3.663 3.960 0.000 0.000 0.174 393 G C 0.495 175.320 174.900 -0.125 0.000 1.025 393 G CA 0.283 45.430 45.100 0.078 0.000 0.706 393 G HN 0.421 nan 8.290 nan 0.000 0.499 394 E N -0.260 120.020 120.200 0.133 0.000 2.153 394 E HA -0.175 4.175 4.350 0.000 0.000 0.194 394 E C 1.981 178.653 176.600 0.119 0.000 0.988 394 E CA 1.613 58.091 56.400 0.130 0.000 0.811 394 E CB -0.133 29.708 29.700 0.236 0.000 0.746 394 E HN 0.955 nan 8.360 nan 0.000 0.466 395 H N -1.405 117.718 119.070 0.088 0.000 2.563 395 H HA 0.102 4.658 4.556 0.000 0.000 0.272 395 H C 0.013 175.392 175.328 0.085 0.000 1.005 395 H CA -0.070 56.013 56.048 0.059 0.000 1.171 395 H CB 0.080 29.837 29.762 -0.008 0.000 1.351 395 H HN -0.020 nan 8.280 nan 0.000 0.602 396 I N 2.573 123.001 120.570 -0.237 0.000 2.354 396 I HA 0.168 4.338 4.170 0.000 0.000 0.292 396 I C 0.310 176.574 176.117 0.246 0.000 0.989 396 I CA -1.129 60.136 61.300 -0.058 0.000 1.188 396 I CB 1.389 39.343 38.000 -0.077 0.000 1.342 396 I HN 0.348 nan 8.210 nan 0.000 0.457 397 E N 3.279 123.576 120.200 0.160 0.000 2.392 397 E HA -0.011 4.339 4.350 0.000 0.000 0.256 397 E C -0.408 176.114 176.600 -0.131 0.000 1.145 397 E CA -0.287 56.187 56.400 0.122 0.000 0.929 397 E CB 1.045 30.746 29.700 0.002 0.000 0.998 397 E HN 0.327 nan 8.360 nan 0.000 0.442 398 D N 1.545 121.599 120.400 -0.575 0.000 2.767 398 D HA -0.025 4.615 4.640 0.000 0.000 0.231 398 D C 0.261 176.234 176.300 -0.544 0.000 1.105 398 D CA 0.027 53.318 54.000 -1.183 0.000 1.024 398 D CB -0.761 39.139 40.800 -1.499 0.000 1.123 398 D HN 0.298 nan 8.370 nan 0.000 0.470 399 N N 0.237 118.726 118.700 -0.353 0.000 2.170 399 N HA 0.134 4.874 4.740 0.000 0.000 0.222 399 N C 1.290 176.685 175.510 -0.192 0.000 1.218 399 N CA 0.176 53.100 53.050 -0.209 0.000 0.889 399 N CB 0.389 38.791 38.487 -0.141 0.000 1.083 399 N HN 0.159 nan 8.380 nan 0.000 0.520 400 G N -0.673 108.003 108.800 -0.207 0.000 2.179 400 G HA2 -0.189 3.771 3.960 0.000 0.000 0.260 400 G HA3 -0.189 3.771 3.960 0.000 0.000 0.260 400 G C 0.354 175.108 174.900 -0.245 0.000 0.977 400 G CA 0.236 45.232 45.100 -0.174 0.000 0.641 400 G HN 0.824 nan 8.290 nan 0.000 0.533 401 A N 0.313 123.012 122.820 -0.202 0.000 2.313 401 A HA 0.731 5.051 4.320 0.000 0.000 0.261 401 A C -1.766 175.765 177.584 -0.089 0.000 1.090 401 A CA -0.803 51.122 52.037 -0.188 0.000 0.807 401 A CB 0.284 19.217 19.000 -0.111 0.000 1.055 401 A HN 0.179 nan 8.150 nan 0.000 0.492 402 P HA 0.464 nan 4.420 nan 0.000 0.271 402 P C -0.808 176.516 177.300 0.040 0.000 1.220 402 P CA 0.445 63.542 63.100 -0.004 0.000 0.768 402 P CB 1.076 32.815 31.700 0.065 0.000 0.848 403 A N 2.543 125.322 122.820 -0.067 0.000 2.547 403 A HA 0.555 4.875 4.320 0.000 0.000 0.298 403 A C 0.808 178.219 177.584 -0.289 0.000 1.062 403 A CA -0.023 51.918 52.037 -0.160 0.000 0.748 403 A CB 0.607 19.596 19.000 -0.018 0.000 1.288 403 A HN 0.366 nan 8.150 nan 0.000 0.396 404 A N 2.135 124.692 122.820 -0.438 0.000 1.933 404 A HA -0.144 4.176 4.320 0.000 0.000 0.218 404 A C 2.049 179.319 177.584 -0.524 0.000 1.175 404 A CA 1.981 53.785 52.037 -0.389 0.000 0.628 404 A CB -0.500 18.291 19.000 -0.348 0.000 0.814 404 A HN 1.167 nan 8.150 nan 0.000 0.444 405 R N -1.687 118.148 120.500 -1.109 0.000 2.092 405 R HA -0.150 4.190 4.340 0.000 0.000 0.231 405 R C 1.930 177.822 176.300 -0.679 0.000 1.119 405 R CA 1.577 56.827 56.100 -1.417 0.000 0.970 405 R CB -0.616 28.523 30.300 -1.934 0.000 0.864 405 R HN 0.659 nan 8.270 nan 0.000 0.440 406 W N 0.713 121.832 121.300 -0.302 0.000 2.523 406 W HA 0.253 4.913 4.660 0.000 0.000 0.278 406 W C 2.620 179.073 176.519 -0.111 0.000 1.236 406 W CA 0.118 57.371 57.345 -0.154 0.000 1.306 406 W CB 0.107 29.494 29.460 -0.122 0.000 1.101 406 W HN 0.250 nan 8.180 nan 0.000 0.577 407 A N 0.372 123.243 122.820 0.085 0.000 1.877 407 A HA -0.210 4.110 4.320 0.000 0.000 0.216 407 A C 1.887 179.469 177.584 -0.003 0.000 1.186 407 A CA 1.472 53.552 52.037 0.071 0.000 0.620 407 A CB -0.943 18.111 19.000 0.091 0.000 0.822 407 A HN 0.243 nan 8.150 nan 0.000 0.443 408 L N -0.312 120.849 121.223 -0.103 0.000 2.046 408 L HA -0.113 4.227 4.340 0.000 0.000 0.208 408 L C 2.491 179.281 176.870 -0.134 0.000 1.077 408 L CA 1.948 56.612 54.840 -0.293 0.000 0.747 408 L CB -0.666 41.172 42.059 -0.369 0.000 0.896 408 L HN 0.391 nan 8.230 nan 0.000 0.432 409 R N -0.034 120.458 120.500 -0.012 0.000 2.096 409 R HA -0.226 4.114 4.340 0.000 0.000 0.240 409 R C 1.993 178.323 176.300 0.050 0.000 1.139 409 R CA 2.094 58.251 56.100 0.095 0.000 0.952 409 R CB -0.854 29.637 30.300 0.319 0.000 0.854 409 R HN 0.431 nan 8.270 nan 0.000 0.436 410 N N 0.192 118.934 118.700 0.069 0.000 2.244 410 N HA -0.058 4.682 4.740 0.000 0.000 0.183 410 N C 1.455 176.966 175.510 0.002 0.000 1.016 410 N CA 1.418 54.502 53.050 0.056 0.000 0.866 410 N CB -0.203 38.327 38.487 0.073 0.000 0.980 410 N HN 0.348 nan 8.380 nan 0.000 0.430 411 A N 0.115 122.906 122.820 -0.049 0.000 1.969 411 A HA -0.017 4.304 4.320 0.000 0.000 0.218 411 A C 2.150 179.698 177.584 -0.061 0.000 1.169 411 A CA 0.785 52.776 52.037 -0.077 0.000 0.635 411 A CB -0.447 18.462 19.000 -0.151 0.000 0.810 411 A HN 0.235 nan 8.150 nan 0.000 0.445 412 I N 0.027 120.532 120.570 -0.109 0.000 2.193 412 I HA -0.192 3.978 4.170 0.000 0.000 0.240 412 I C 2.812 178.918 176.117 -0.018 0.000 1.084 412 I CA 1.818 63.017 61.300 -0.168 0.000 1.365 412 I CB -0.446 37.270 38.000 -0.473 0.000 1.064 412 I HN 0.496 nan 8.210 nan 0.000 0.410 413 T N -1.579 112.971 114.554 -0.006 0.000 2.995 413 T HA -0.055 4.295 4.350 0.000 0.000 0.269 413 T C 1.693 176.534 174.700 0.234 0.000 1.091 413 T CA 0.656 62.848 62.100 0.153 0.000 1.128 413 T CB -0.248 68.723 68.868 0.172 0.000 0.891 413 T HN 0.255 nan 8.240 nan 0.000 0.492 414 R N 0.381 120.905 120.500 0.040 0.000 2.515 414 R HA 0.250 4.590 4.340 0.000 0.000 0.294 414 R C 1.347 177.336 176.300 -0.519 0.000 1.021 414 R CA -0.213 55.694 56.100 -0.321 0.000 1.081 414 R CB -0.272 29.892 30.300 -0.226 0.000 1.263 414 R HN 0.693 nan 8.270 nan 0.000 0.557 415 Y N 0.473 120.667 120.300 -0.178 0.000 2.298 415 Y HA -0.211 4.339 4.550 0.000 0.000 0.287 415 Y C 0.647 176.490 175.900 -0.095 0.000 1.164 415 Y CA -0.004 58.038 58.100 -0.097 0.000 1.229 415 Y CB -0.733 37.716 38.460 -0.019 0.000 0.977 415 Y HN -0.016 nan 8.280 nan 0.000 0.538 419 D N 2.155 122.157 120.400 -0.663 0.000 3.076 419 D HA -0.165 4.475 4.640 0.000 0.000 0.218 419 D C 0.869 177.059 176.300 -0.183 0.000 1.156 419 D CA 1.690 55.433 54.000 -0.429 0.000 0.921 419 D CB -0.271 40.286 40.800 -0.405 0.000 1.113 419 D HN 0.805 nan 8.370 nan 0.000 0.418 420 R N -1.838 118.573 120.500 -0.149 0.000 2.756 420 R HA 0.192 4.532 4.340 0.000 0.000 0.170 420 R C 1.647 177.897 176.300 -0.083 0.000 0.800 420 R CA -0.134 55.918 56.100 -0.081 0.000 1.052 420 R CB -0.383 29.900 30.300 -0.028 0.000 1.437 420 R HN -0.004 nan 8.270 nan 0.000 0.607 421 F N 0.265 119.867 119.950 -0.580 0.000 2.367 421 F HA 0.036 4.563 4.527 0.000 0.000 0.298 421 F C 0.264 175.718 175.800 -0.577 0.000 1.094 421 F CA 0.370 57.824 58.000 -0.911 0.000 1.409 421 F CB 0.158 37.955 39.000 -2.005 0.000 1.064 421 F HN 0.178 nan 8.300 nan 0.000 0.528 422 W N -2.685 118.682 121.300 0.111 0.000 3.201 422 W HA 0.335 4.995 4.660 0.000 0.000 0.377 422 W C -2.335 174.207 176.519 0.039 0.000 0.690 422 W CA -2.264 55.106 57.345 0.042 0.000 0.849 422 W CB -0.781 28.710 29.460 0.051 0.000 1.410 422 W HN -0.323 nan 8.180 nan 0.000 0.523 423 L N 2.697 124.223 121.223 0.505 0.000 2.276 423 L HA 0.382 4.722 4.340 0.000 0.000 0.286 423 L C 0.235 177.421 176.870 0.527 0.000 1.061 423 L CA -0.703 54.443 54.840 0.509 0.000 0.807 423 L CB 0.308 42.632 42.059 0.443 0.000 1.177 423 L HN 0.272 nan 8.230 nan 0.000 0.429 424 N N 1.903 120.986 118.700 0.639 0.000 2.497 424 N HA 0.081 4.822 4.740 0.000 0.000 0.271 424 N C -0.631 174.937 175.510 0.096 0.000 1.142 424 N CA -0.131 53.084 53.050 0.275 0.000 0.965 424 N CB 0.832 39.417 38.487 0.163 0.000 1.077 424 N HN 0.449 nan 8.380 nan 0.000 0.462 425 D N 2.106 122.520 120.400 0.024 0.000 2.392 425 D HA 0.260 4.900 4.640 0.000 0.000 0.228 425 D C -1.987 174.315 176.300 0.004 0.000 1.074 425 D CA -2.085 51.928 54.000 0.022 0.000 0.838 425 D CB 1.463 42.281 40.800 0.031 0.000 1.067 425 D HN 0.291 nan 8.370 nan 0.000 0.511 426 P HA 0.128 nan 4.420 nan 0.000 0.253 426 P C -0.528 176.810 177.300 0.064 0.000 1.260 426 P CA -0.095 63.005 63.100 -0.001 0.000 0.800 426 P CB 0.286 31.957 31.700 -0.047 0.000 1.162 427 D N -1.503 118.920 120.400 0.039 0.000 10.757 427 D HA -0.137 4.503 4.640 0.000 0.000 0.352 427 D C -0.541 175.713 176.300 -0.076 0.000 3.129 427 D CA 0.017 54.003 54.000 -0.024 0.000 2.630 427 D CB -0.840 39.913 40.800 -0.079 0.000 1.214 427 D HN 0.110 nan 8.370 nan 0.000 0.943 428 C N 1.823 120.976 119.300 -0.245 0.000 2.634 428 C HA 0.257 4.717 4.460 0.000 0.000 0.417 428 C C 1.012 175.823 174.990 -0.299 0.000 1.334 428 C CA -0.573 58.293 59.018 -0.254 0.000 1.829 428 C CB -0.812 26.752 27.740 -0.293 0.000 2.665 428 C HN 0.295 nan 8.230 nan 0.000 0.614 429 L N 3.824 124.948 121.223 -0.164 0.000 2.331 429 L HA 0.393 4.733 4.340 0.000 0.000 0.278 429 L C -0.006 176.763 176.870 -0.169 0.000 1.106 429 L CA 0.256 55.004 54.840 -0.153 0.000 0.824 429 L CB 0.209 42.263 42.059 -0.008 0.000 1.142 429 L HN 0.587 nan 8.230 nan 0.000 0.443 430 I N 5.263 125.708 120.570 -0.209 0.000 2.390 430 I HA 0.182 4.352 4.170 0.000 0.000 0.283 430 I C 0.411 176.499 176.117 -0.047 0.000 1.016 430 I CA 0.013 61.234 61.300 -0.131 0.000 1.151 430 I CB 1.222 39.113 38.000 -0.182 0.000 1.293 430 I HN 0.593 nan 8.210 nan 0.000 0.458 431 L N 6.191 127.430 121.223 0.026 0.000 3.016 431 L HA 0.293 4.633 4.340 0.000 0.000 0.267 431 L C 0.997 177.940 176.870 0.121 0.000 1.182 431 L CA -0.363 54.526 54.840 0.082 0.000 0.997 431 L CB -0.090 42.034 42.059 0.108 0.000 1.354 431 L HN 0.574 nan 8.230 nan 0.000 0.569 432 R N -0.051 120.507 120.500 0.097 0.000 2.694 432 R HA 0.103 4.443 4.340 0.000 0.000 0.268 432 R C 0.007 176.363 176.300 0.094 0.000 1.061 432 R CA -0.113 56.047 56.100 0.100 0.000 1.133 432 R CB 0.802 31.153 30.300 0.085 0.000 1.020 432 R HN 0.061 nan 8.270 nan 0.000 0.475 433 E N -0.019 120.233 120.200 0.087 0.000 2.476 433 E HA 0.067 4.417 4.350 0.000 0.000 0.199 433 E C -0.557 176.073 176.600 0.050 0.000 1.021 433 E CA 0.263 56.702 56.400 0.064 0.000 0.907 433 E CB 0.657 30.396 29.700 0.065 0.000 0.974 433 E HN 0.592 nan 8.360 nan 0.000 0.489 434 E N -0.030 120.208 120.200 0.062 0.000 2.369 434 E HA 0.315 4.665 4.350 0.000 0.000 0.270 434 E C -0.841 175.807 176.600 0.081 0.000 0.909 434 E CA -0.769 55.667 56.400 0.060 0.000 0.775 434 E CB 1.448 31.182 29.700 0.056 0.000 1.270 434 E HN -0.153 nan 8.360 nan 0.000 0.445 435 K N -0.108 120.332 120.400 0.067 0.000 3.117 435 K HA -0.191 4.129 4.320 0.000 0.000 0.269 435 K C -0.712 175.924 176.600 0.059 0.000 1.098 435 K CA 0.975 57.299 56.287 0.062 0.000 0.785 435 K CB -1.422 31.137 32.500 0.099 0.000 1.242 435 K HN 0.497 nan 8.250 nan 0.000 0.491 436 T N -1.505 113.087 114.554 0.064 0.000 2.956 436 T HA 0.274 4.624 4.350 0.000 0.000 0.312 436 T C -0.402 174.346 174.700 0.080 0.000 1.151 436 T CA -0.783 61.364 62.100 0.077 0.000 1.024 436 T CB 1.747 70.655 68.868 0.068 0.000 1.140 436 T HN 0.041 nan 8.240 nan 0.000 0.473 437 D N 2.357 122.831 120.400 0.123 0.000 2.340 437 D HA 0.240 4.880 4.640 0.000 0.000 0.220 437 D C 0.581 176.950 176.300 0.115 0.000 1.039 437 D CA 0.330 54.403 54.000 0.121 0.000 0.866 437 D CB 0.057 40.961 40.800 0.174 0.000 0.913 437 D HN 0.495 nan 8.370 nan 0.000 0.523 438 L N 1.049 122.334 121.223 0.103 0.000 2.367 438 L HA 0.172 4.512 4.340 0.000 0.000 0.275 438 L C 1.220 178.110 176.870 0.033 0.000 1.129 438 L CA -0.373 54.517 54.840 0.084 0.000 0.839 438 L CB 0.926 43.027 42.059 0.070 0.000 1.133 438 L HN -0.043 nan 8.230 nan 0.000 0.453 439 T N -0.870 113.687 114.554 0.004 0.000 2.828 439 T HA 0.127 4.478 4.350 0.000 0.000 0.290 439 T C 0.865 175.545 174.700 -0.033 0.000 1.019 439 T CA -0.578 61.503 62.100 -0.032 0.000 1.031 439 T CB 1.078 69.914 68.868 -0.054 0.000 1.001 439 T HN 0.647 nan 8.240 nan 0.000 0.531 440 Q N 0.477 120.225 119.800 -0.087 0.000 2.096 440 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 440 Q C 2.376 178.406 176.000 0.049 0.000 0.982 440 Q CA 1.551 57.284 55.803 -0.116 0.000 0.850 440 Q CB -0.217 28.294 28.738 -0.378 0.000 0.901 440 Q HN 0.699 nan 8.270 nan 0.000 0.422 441 K N 0.949 121.369 120.400 0.035 0.000 2.020 441 K HA -0.226 4.094 4.320 0.000 0.000 0.212 441 K C 1.985 178.621 176.600 0.059 0.000 1.050 441 K CA 1.735 58.082 56.287 0.101 0.000 0.929 441 K CB -0.057 32.462 32.500 0.032 0.000 0.714 441 K HN 0.253 nan 8.250 nan 0.000 0.443 442 E N 0.385 120.563 120.200 -0.036 0.000 2.077 442 E HA -0.179 4.171 4.350 0.000 0.000 0.193 442 E C 1.962 178.600 176.600 0.062 0.000 0.989 442 E CA 1.271 57.634 56.400 -0.060 0.000 0.800 442 E CB 0.092 29.740 29.700 -0.087 0.000 0.746 442 E HN 0.236 nan 8.360 nan 0.000 0.452 443 K N 0.768 121.192 120.400 0.040 0.000 2.026 443 K HA -0.171 4.149 4.320 0.000 0.000 0.208 443 K C 2.109 178.643 176.600 -0.109 0.000 1.048 443 K CA 1.366 57.664 56.287 0.018 0.000 0.929 443 K CB -0.083 32.463 32.500 0.077 0.000 0.713 443 K HN 0.134 nan 8.250 nan 0.000 0.439 444 E N 0.920 121.003 120.200 -0.195 0.000 2.051 444 E HA -0.196 4.154 4.350 0.000 0.000 0.192 444 E C 1.991 178.080 176.600 -0.851 0.000 0.991 444 E CA 0.866 56.860 56.400 -0.678 0.000 0.799 444 E CB -0.137 29.353 29.700 -0.351 0.000 0.748 444 E HN 0.096 nan 8.360 nan 0.000 0.449 445 L N 0.427 121.349 121.223 -0.502 0.000 2.013 445 L HA -0.247 4.094 4.340 0.000 0.000 0.212 445 L C 2.191 178.976 176.870 -0.142 0.000 1.073 445 L CA 1.890 56.501 54.840 -0.382 0.000 0.753 445 L CB -0.870 41.173 42.059 -0.028 0.000 0.890 445 L HN 0.141 nan 8.230 nan 0.000 0.432 446 Y N -0.102 120.133 120.300 -0.110 0.000 2.145 446 Y HA -0.223 4.327 4.550 0.000 0.000 0.286 446 Y C 2.704 178.536 175.900 -0.114 0.000 1.145 446 Y CA 2.099 60.171 58.100 -0.047 0.000 1.148 446 Y CB -0.376 38.078 38.460 -0.009 0.000 0.981 446 Y HN 0.302 nan 8.280 nan 0.000 0.507 447 S N -0.861 114.853 115.700 0.024 0.000 2.368 447 S HA -0.162 4.308 4.470 0.000 0.000 0.224 447 S C 1.651 176.267 174.600 0.027 0.000 1.029 447 S CA 1.290 59.491 58.200 0.003 0.000 0.988 447 S CB -0.520 62.592 63.200 -0.145 0.000 0.838 447 S HN 0.478 nan 8.310 nan 0.000 0.462 448 Y N 2.166 122.407 120.300 -0.098 0.000 2.337 448 Y HA 0.018 4.568 4.550 0.000 0.000 0.293 448 Y C 2.850 178.681 175.900 -0.114 0.000 1.123 448 Y CA 0.220 58.245 58.100 -0.125 0.000 1.201 448 Y CB -1.665 36.663 38.460 -0.220 0.000 1.011 448 Y HN 0.192 nan 8.280 nan 0.000 0.545 449 T N -0.715 113.843 114.554 0.006 0.000 2.652 449 T HA -0.217 4.133 4.350 0.000 0.000 0.267 449 T C 2.182 176.839 174.700 -0.072 0.000 1.039 449 T CA 1.824 63.892 62.100 -0.052 0.000 1.153 449 T CB -0.884 67.912 68.868 -0.120 0.000 0.863 449 T HN 0.402 nan 8.240 nan 0.000 0.428 450 C N 1.384 120.626 119.300 -0.096 0.000 2.413 450 C HA 0.010 4.470 4.460 0.000 0.000 0.277 450 C C 3.059 178.029 174.990 -0.034 0.000 1.265 450 C CA 0.451 59.418 59.018 -0.084 0.000 1.752 450 C CB -1.622 26.091 27.740 -0.046 0.000 1.998 450 C HN 0.754 nan 8.230 nan 0.000 0.489 451 G N 0.160 108.972 108.800 0.020 0.000 2.404 451 G HA2 -0.123 3.837 3.960 0.000 0.000 0.215 451 G HA3 -0.123 3.837 3.960 0.000 0.000 0.215 451 G C 1.670 176.578 174.900 0.014 0.000 1.174 451 G CA 1.120 46.241 45.100 0.035 0.000 0.780 451 G HN 0.380 nan 8.290 nan 0.000 0.537 452 V N 1.162 121.081 119.914 0.009 0.000 2.392 452 V HA -0.117 4.003 4.120 0.000 0.000 0.249 452 V C 2.722 178.814 176.094 -0.004 0.000 1.059 452 V CA 1.278 63.578 62.300 -0.001 0.000 1.051 452 V CB -0.366 31.454 31.823 -0.006 0.000 0.658 452 V HN 0.332 nan 8.190 nan 0.000 0.455 453 L N -0.090 121.116 121.223 -0.028 0.000 2.610 453 L HA 0.016 4.356 4.340 0.000 0.000 0.232 453 L C 1.297 178.120 176.870 -0.079 0.000 1.149 453 L CA 0.860 55.678 54.840 -0.038 0.000 0.872 453 L CB -0.637 41.376 42.059 -0.076 0.000 0.992 453 L HN 0.446 nan 8.230 nan 0.000 0.447 454 D N 0.198 120.572 120.400 -0.043 0.000 2.911 454 D HA -0.239 4.401 4.640 0.000 0.000 0.227 454 D C 0.343 176.529 176.300 -0.191 0.000 1.164 454 D CA 0.543 54.539 54.000 -0.007 0.000 0.782 454 D CB -1.048 39.852 40.800 0.167 0.000 1.094 454 D HN 0.489 nan 8.370 nan 0.000 0.425 458 I N 3.930 124.489 120.570 -0.019 0.000 2.498 458 I HA 0.428 4.599 4.170 0.000 0.000 0.290 458 I C 0.181 176.220 176.117 -0.130 0.000 1.032 458 I CA -0.449 60.785 61.300 -0.111 0.000 1.073 458 I CB 2.470 40.402 38.000 -0.114 0.000 1.251 458 I HN 0.607 nan 8.210 nan 0.000 0.426 459 E N 3.304 123.377 120.200 -0.212 0.000 2.204 459 E HA 0.462 4.812 4.350 0.000 0.000 0.276 459 E C -0.937 175.458 176.600 -0.342 0.000 0.974 459 E CA -0.281 56.031 56.400 -0.147 0.000 0.815 459 E CB 1.494 31.253 29.700 0.098 0.000 1.119 459 E HN 0.503 nan 8.360 nan 0.000 0.393 460 S N 4.073 119.616 115.700 -0.262 0.000 2.652 460 S HA 0.339 4.809 4.470 0.000 0.000 0.252 460 S C -1.679 172.820 174.600 -0.168 0.000 1.219 460 S CA -0.670 57.302 58.200 -0.381 0.000 1.151 460 S CB 0.356 63.429 63.200 -0.213 0.000 1.080 460 S HN 0.550 nan 8.310 nan 0.000 0.481 461 D N 1.965 122.332 120.400 -0.055 0.000 2.623 461 D HA 0.150 4.790 4.640 0.000 0.000 0.241 461 D C -1.674 174.687 176.300 0.102 0.000 1.241 461 D CA -0.493 53.537 54.000 0.050 0.000 0.788 461 D CB 1.782 42.624 40.800 0.071 0.000 1.413 461 D HN 0.505 nan 8.370 nan 0.000 0.429 462 D N 1.304 121.443 120.400 -0.435 0.000 2.346 462 D HA 0.090 4.730 4.640 0.000 0.000 0.260 462 D C 1.083 177.315 176.300 -0.113 0.000 1.252 462 D CA 0.024 53.803 54.000 -0.368 0.000 0.895 462 D CB 0.660 40.902 40.800 -0.930 0.000 1.097 462 D HN 0.288 nan 8.370 nan 0.000 0.489 463 L N 2.952 124.161 121.223 -0.023 0.000 2.465 463 L HA -0.080 4.260 4.340 0.000 0.000 0.224 463 L C 2.283 179.194 176.870 0.069 0.000 1.145 463 L CA 0.669 55.487 54.840 -0.036 0.000 0.834 463 L CB -0.374 41.535 42.059 -0.250 0.000 0.944 463 L HN 0.426 nan 8.230 nan 0.000 0.451 464 S N -0.139 115.577 115.700 0.028 0.000 2.481 464 S HA -0.023 4.447 4.470 0.000 0.000 0.231 464 S C 1.553 176.184 174.600 0.052 0.000 0.996 464 S CA 0.494 58.723 58.200 0.048 0.000 0.942 464 S CB -0.210 63.005 63.200 0.024 0.000 0.768 464 S HN 0.482 nan 8.310 nan 0.000 0.520 465 L N 1.596 122.838 121.223 0.033 0.000 2.667 465 L HA 0.387 4.728 4.340 0.000 0.000 0.232 465 L C -0.501 176.420 176.870 0.085 0.000 1.138 465 L CA -0.286 54.581 54.840 0.046 0.000 0.921 465 L CB 0.477 42.548 42.059 0.020 0.000 1.180 465 L HN 0.150 nan 8.230 nan 0.000 0.487 466 V N 0.915 120.908 119.914 0.130 0.000 2.370 466 V HA 0.376 4.496 4.120 0.000 0.000 0.279 466 V C 0.292 176.496 176.094 0.183 0.000 1.029 466 V CA -0.443 61.970 62.300 0.188 0.000 0.870 466 V CB 1.452 33.449 31.823 0.290 0.000 0.984 466 V HN 0.323 nan 8.190 nan 0.000 0.451 467 R N 2.154 122.740 120.500 0.144 0.000 3.378 467 R HA 0.437 4.777 4.340 0.000 0.000 0.224 467 R C 0.413 176.768 176.300 0.091 0.000 1.689 467 R CA -0.902 55.259 56.100 0.101 0.000 0.985 467 R CB 0.213 30.563 30.300 0.084 0.000 1.957 467 R HN 0.474 nan 8.270 nan 0.000 0.541 468 D N 0.672 121.119 120.400 0.078 0.000 2.117 468 D HA -0.171 4.469 4.640 0.000 0.000 0.197 468 D C 1.675 178.026 176.300 0.085 0.000 0.987 468 D CA 1.455 55.490 54.000 0.059 0.000 0.829 468 D CB -0.317 40.516 40.800 0.056 0.000 0.961 468 D HN 0.439 nan 8.370 nan 0.000 0.460 469 H N 0.470 119.566 119.070 0.043 0.000 2.293 469 H HA -0.085 4.472 4.556 0.000 0.000 0.300 469 H C 2.052 177.419 175.328 0.064 0.000 1.082 469 H CA 1.959 58.039 56.048 0.053 0.000 1.308 469 H CB -0.280 29.511 29.762 0.049 0.000 1.375 469 H HN 0.171 nan 8.280 nan 0.000 0.495 470 G N 0.479 109.340 108.800 0.102 0.000 2.432 470 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 470 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 470 G C 1.890 176.821 174.900 0.052 0.000 1.135 470 G CA 0.612 45.754 45.100 0.069 0.000 0.767 470 G HN 0.367 nan 8.290 nan 0.000 0.550 471 K N 0.105 120.532 120.400 0.046 0.000 2.103 471 K HA 0.036 4.356 4.320 0.000 0.000 0.204 471 K C 2.382 178.966 176.600 -0.027 0.000 1.052 471 K CA 0.979 57.263 56.287 -0.004 0.000 0.945 471 K CB -0.061 32.384 32.500 -0.090 0.000 0.722 471 K HN 0.228 nan 8.250 nan 0.000 0.443 472 K N 1.023 121.396 120.400 -0.045 0.000 2.001 472 K HA -0.121 4.200 4.320 0.000 0.000 0.208 472 K C 1.962 178.554 176.600 -0.014 0.000 1.048 472 K CA 1.284 57.548 56.287 -0.039 0.000 0.932 472 K CB -0.056 32.414 32.500 -0.050 0.000 0.715 472 K HN -0.078 nan 8.250 nan 0.000 0.437 473 V N 2.019 121.880 119.914 -0.089 0.000 2.287 473 V HA -0.271 3.849 4.120 0.000 0.000 0.248 473 V C 2.431 178.576 176.094 0.084 0.000 1.053 473 V CA 1.714 64.005 62.300 -0.016 0.000 1.027 473 V CB -0.482 31.203 31.823 -0.230 0.000 0.646 473 V HN 0.375 nan 8.190 nan 0.000 0.447 474 L N 0.589 121.853 121.223 0.067 0.000 2.012 474 L HA -0.185 4.155 4.340 0.000 0.000 0.210 474 L C 2.567 179.499 176.870 0.104 0.000 1.073 474 L CA 2.203 57.114 54.840 0.118 0.000 0.748 474 L CB -0.702 41.461 42.059 0.174 0.000 0.891 474 L HN 0.162 nan 8.230 nan 0.000 0.431 475 K N -0.658 119.780 120.400 0.063 0.000 2.097 475 K HA -0.134 4.186 4.320 0.000 0.000 0.205 475 K C 2.054 178.683 176.600 0.049 0.000 1.050 475 K CA 1.511 57.822 56.287 0.040 0.000 0.938 475 K CB -0.491 32.010 32.500 0.002 0.000 0.718 475 K HN 0.611 nan 8.250 nan 0.000 0.442 476 E N -0.388 119.856 120.200 0.072 0.000 2.106 476 E HA -0.114 4.237 4.350 0.000 0.000 0.192 476 E C 2.152 178.787 176.600 0.058 0.000 0.984 476 E CA 1.625 58.053 56.400 0.047 0.000 0.806 476 E CB -0.140 29.588 29.700 0.047 0.000 0.750 476 E HN 0.373 nan 8.360 nan 0.000 0.458 477 T N 1.195 115.850 114.554 0.168 0.000 2.746 477 T HA -0.113 4.237 4.350 0.000 0.000 0.267 477 T C 1.843 176.598 174.700 0.091 0.000 1.039 477 T CA 0.833 63.036 62.100 0.171 0.000 1.142 477 T CB -0.141 68.838 68.868 0.185 0.000 0.866 477 T HN 0.105 nan 8.240 nan 0.000 0.444 478 L N 0.612 121.885 121.223 0.083 0.000 2.201 478 L HA -0.021 4.319 4.340 0.000 0.000 0.212 478 L C 2.499 179.396 176.870 0.045 0.000 1.105 478 L CA 1.157 56.038 54.840 0.068 0.000 0.775 478 L CB -0.549 41.556 42.059 0.075 0.000 0.913 478 L HN 0.299 nan 8.230 nan 0.000 0.440 479 E N 0.121 120.338 120.200 0.028 0.000 2.347 479 E HA -0.101 4.250 4.350 0.000 0.000 0.196 479 E C 1.999 178.596 176.600 -0.004 0.000 1.008 479 E CA 0.551 56.955 56.400 0.006 0.000 0.852 479 E CB 0.100 29.791 29.700 -0.014 0.000 0.783 479 E HN 0.508 nan 8.360 nan 0.000 0.505 480 L N 0.693 121.915 121.223 -0.002 0.000 2.567 480 L HA 0.128 4.468 4.340 0.000 0.000 0.225 480 L C 0.698 177.578 176.870 0.016 0.000 1.119 480 L CA -0.131 54.704 54.840 -0.008 0.000 0.871 480 L CB 0.123 42.172 42.059 -0.017 0.000 1.036 480 L HN 0.048 nan 8.230 nan 0.000 0.459 481 L N -0.842 120.399 121.223 0.031 0.000 2.468 481 L HA 0.386 4.726 4.340 0.000 0.000 0.254 481 L C 1.338 178.239 176.870 0.051 0.000 1.171 481 L CA 0.481 55.348 54.840 0.045 0.000 0.809 481 L CB 0.679 42.770 42.059 0.053 0.000 1.155 481 L HN 0.212 nan 8.230 nan 0.000 0.473 482 G N 0.309 109.151 108.800 0.070 0.000 2.195 482 G HA2 -0.175 3.785 3.960 0.000 0.000 0.224 482 G HA3 -0.175 3.785 3.960 0.000 0.000 0.224 482 G C 0.388 175.330 174.900 0.070 0.000 0.990 482 G CA -0.252 44.891 45.100 0.071 0.000 0.639 482 G HN 1.016 nan 8.290 nan 0.000 0.514 483 G N -0.571 108.269 108.800 0.068 0.000 2.557 483 G HA2 0.545 4.505 3.960 0.000 0.000 0.292 483 G HA3 0.545 4.505 3.960 0.000 0.000 0.292 483 G C -0.005 174.947 174.900 0.086 0.000 1.237 483 G CA -0.131 45.007 45.100 0.064 0.000 0.978 483 G HN 0.575 nan 8.290 nan 0.000 0.498 484 R N 1.145 121.692 120.500 0.077 0.000 2.233 484 R HA 0.343 4.683 4.340 0.000 0.000 0.334 484 R C -2.309 174.049 176.300 0.097 0.000 1.037 484 R CA -1.478 54.678 56.100 0.095 0.000 0.920 484 R CB 1.118 31.464 30.300 0.076 0.000 1.137 484 R HN 0.286 nan 8.270 nan 0.000 0.492 485 P HA 0.228 nan 4.420 nan 0.000 0.279 485 P C -1.442 175.910 177.300 0.086 0.000 1.252 485 P CA -0.527 62.627 63.100 0.091 0.000 0.811 485 P CB 1.270 33.036 31.700 0.110 0.000 1.035 486 R N 1.103 121.547 120.500 -0.092 0.000 2.522 486 R HA 0.404 4.745 4.340 0.000 0.000 0.283 486 R C -1.602 174.401 176.300 -0.494 0.000 1.074 486 R CA -0.721 55.206 56.100 -0.288 0.000 0.925 486 R CB 1.602 31.869 30.300 -0.055 0.000 1.205 486 R HN 0.175 nan 8.270 nan 0.000 0.436 487 V N 5.707 125.012 119.914 -1.014 0.000 2.427 487 V HA 0.060 4.181 4.120 0.000 0.000 0.268 487 V C 0.959 176.923 176.094 -0.218 0.000 1.046 487 V CA -0.172 61.805 62.300 -0.539 0.000 0.970 487 V CB 1.423 32.911 31.823 -0.559 0.000 1.001 487 V HN 0.828 nan 8.190 nan 0.000 0.476 488 Q N 3.429 123.188 119.800 -0.070 0.000 2.137 488 Q HA -0.027 4.313 4.340 0.000 0.000 0.198 488 Q C 0.836 176.863 176.000 0.045 0.000 0.960 488 Q CA 0.941 56.741 55.803 -0.005 0.000 0.847 488 Q CB -0.014 28.731 28.738 0.012 0.000 0.915 488 Q HN 0.956 nan 8.270 nan 0.000 0.448 489 N N 0.470 119.228 118.700 0.097 0.000 2.914 489 N HA 0.123 4.864 4.740 0.000 0.000 0.304 489 N C -0.106 175.539 175.510 0.225 0.000 1.727 489 N CA -0.281 52.845 53.050 0.126 0.000 0.986 489 N CB 0.200 38.744 38.487 0.095 0.000 1.297 489 N HN -0.007 nan 8.380 nan 0.000 0.490 493 E N 1.464 121.661 120.200 -0.005 0.000 2.501 493 E HA 0.126 4.476 4.350 0.000 0.000 0.201 493 E C -0.218 176.391 176.600 0.016 0.000 1.016 493 E CA 0.102 56.519 56.400 0.029 0.000 0.920 493 E CB 0.365 30.087 29.700 0.037 0.000 1.023 493 E HN 0.660 nan 8.360 nan 0.000 0.474 494 D N -0.071 120.301 120.400 -0.048 0.000 2.535 494 D HA 0.044 4.684 4.640 0.000 0.000 0.229 494 D C 0.716 176.978 176.300 -0.063 0.000 1.238 494 D CA -0.416 53.566 54.000 -0.031 0.000 0.824 494 D CB -0.207 40.572 40.800 -0.036 0.000 1.045 494 D HN 0.062 nan 8.370 nan 0.000 0.500 495 L N -0.617 120.529 121.223 -0.129 0.000 4.001 495 L HA -0.273 4.067 4.340 0.000 0.000 0.413 495 L C -0.132 176.611 176.870 -0.211 0.000 1.185 495 L CA 0.707 55.479 54.840 -0.113 0.000 0.963 495 L CB -1.486 40.632 42.059 0.099 0.000 1.976 495 L HN 0.163 nan 8.230 nan 0.000 0.939 496 R N -0.344 119.917 120.500 -0.398 0.000 2.393 496 R HA 0.670 5.010 4.340 0.000 0.000 0.310 496 R C -1.068 174.943 176.300 -0.482 0.000 0.968 496 R CA -0.528 55.418 56.100 -0.258 0.000 0.867 496 R CB 1.370 31.597 30.300 -0.121 0.000 1.124 496 R HN -0.056 nan 8.270 nan 0.000 0.450 497 Y N 0.230 120.567 120.300 0.063 0.000 2.492 497 Y HA 0.218 4.768 4.550 0.000 0.000 0.346 497 Y C -0.206 175.716 175.900 0.037 0.000 0.997 497 Y CA -0.989 57.138 58.100 0.044 0.000 1.025 497 Y CB 2.133 40.616 38.460 0.039 0.000 1.263 497 Y HN 0.495 nan 8.280 nan 0.000 0.454 498 E N 4.011 124.320 120.200 0.181 0.000 2.113 498 E HA 0.588 4.939 4.350 0.000 0.000 0.273 498 E C -1.572 175.063 176.600 0.059 0.000 0.924 498 E CA -0.351 56.112 56.400 0.104 0.000 0.764 498 E CB 0.668 30.411 29.700 0.072 0.000 1.104 498 E HN 0.638 nan 8.360 nan 0.000 0.406 499 I N 5.552 126.141 120.570 0.032 0.000 2.389 499 I HA 0.287 4.457 4.170 0.000 0.000 0.288 499 I C -0.091 176.010 176.117 -0.026 0.000 0.999 499 I CA -1.126 60.151 61.300 -0.039 0.000 1.129 499 I CB 1.620 39.588 38.000 -0.053 0.000 1.288 499 I HN 0.339 nan 8.210 nan 0.000 0.444 500 V N 2.166 122.053 119.914 -0.045 0.000 2.850 500 V HA 0.831 4.951 4.120 0.000 0.000 0.315 500 V C -0.254 175.828 176.094 -0.020 0.000 1.064 500 V CA -0.411 61.877 62.300 -0.021 0.000 0.979 500 V CB 1.848 33.665 31.823 -0.009 0.000 1.039 500 V HN 0.749 nan 8.190 nan 0.000 0.452 501 S N 1.504 117.202 115.700 -0.002 0.000 2.572 501 S HA 0.637 5.107 4.470 0.000 0.000 0.274 501 S C -0.573 174.037 174.600 0.018 0.000 1.150 501 S CA 0.067 58.275 58.200 0.014 0.000 0.944 501 S CB 1.552 64.763 63.200 0.019 0.000 1.071 501 S HN 1.983 nan 8.310 nan 0.000 0.479 502 S N 3.040 118.757 115.700 0.028 0.000 2.437 502 S HA 0.677 5.147 4.470 0.000 0.000 0.305 502 S C 0.804 175.422 174.600 0.029 0.000 1.109 502 S CA 0.283 58.498 58.200 0.025 0.000 1.099 502 S CB 0.656 63.872 63.200 0.026 0.000 1.004 502 S HN 2.297 nan 8.310 nan 0.000 0.475 503 G N 2.799 111.613 108.800 0.023 0.000 2.248 503 G HA2 -0.223 3.737 3.960 0.000 0.000 0.263 503 G HA3 -0.223 3.737 3.960 0.000 0.000 0.263 503 G C 0.216 175.132 174.900 0.028 0.000 1.082 503 G CA 0.175 45.290 45.100 0.024 0.000 0.863 503 G HN 1.596 nan 8.290 nan 0.000 0.495 504 T N -2.373 112.195 114.554 0.023 0.000 2.689 504 T HA 0.535 4.885 4.350 0.000 0.000 0.308 504 T C 1.870 176.582 174.700 0.019 0.000 1.021 504 T CA 0.058 62.172 62.100 0.023 0.000 0.973 504 T CB 0.752 69.627 68.868 0.012 0.000 1.113 504 T HN 0.318 nan 8.240 nan 0.000 0.522 505 L N 0.066 121.300 121.223 0.019 0.000 2.291 505 L HA 0.025 4.366 4.340 0.000 0.000 0.214 505 L C 2.239 179.113 176.870 0.005 0.000 1.120 505 L CA 0.754 55.604 54.840 0.017 0.000 0.799 505 L CB -0.281 41.790 42.059 0.021 0.000 0.925 505 L HN 0.674 nan 8.230 nan 0.000 0.446 506 S N -0.334 115.364 115.700 -0.003 0.000 2.583 506 S HA 0.404 4.874 4.470 0.000 0.000 0.239 506 S C 0.848 175.442 174.600 -0.011 0.000 0.966 506 S CA 0.305 58.496 58.200 -0.014 0.000 0.973 506 S CB 0.354 63.535 63.200 -0.032 0.000 0.794 506 S HN 0.622 nan 8.310 nan 0.000 0.463 507 G N 2.654 111.453 108.800 -0.002 0.000 2.553 507 G HA2 -0.229 3.731 3.960 0.000 0.000 0.242 507 G HA3 -0.229 3.731 3.960 0.000 0.000 0.242 507 G C -0.784 174.116 174.900 0.001 0.000 1.277 507 G CA -0.803 44.297 45.100 0.001 0.000 0.910 507 G HN 0.401 nan 8.290 nan 0.000 0.576 508 N N 0.570 119.270 118.700 0.001 0.000 2.514 508 N HA 0.532 5.272 4.740 0.000 0.000 0.277 508 N C 0.414 175.920 175.510 -0.007 0.000 1.126 508 N CA 0.540 53.591 53.050 0.002 0.000 0.978 508 N CB 1.509 39.999 38.487 0.005 0.000 1.106 508 N HN 1.506 nan 8.380 nan 0.000 0.461 509 V N -1.165 118.744 119.914 -0.008 0.000 3.114 509 V HA 0.687 4.807 4.120 0.000 0.000 0.308 509 V C -0.666 175.420 176.094 -0.014 0.000 1.168 509 V CA -0.974 61.314 62.300 -0.020 0.000 1.015 509 V CB 2.540 34.344 31.823 -0.032 0.000 1.050 509 V HN 0.596 nan 8.190 nan 0.000 0.433 510 K N 2.430 122.818 120.400 -0.019 0.000 2.535 510 K HA 0.664 4.984 4.320 0.000 0.000 0.250 510 K C -2.138 174.461 176.600 -0.002 0.000 0.948 510 K CA -0.661 55.624 56.287 -0.003 0.000 0.796 510 K CB 2.564 35.071 32.500 0.010 0.000 1.216 510 K HN 0.961 nan 8.250 nan 0.000 0.432 511 I N 4.564 125.150 120.570 0.026 0.000 2.433 511 I HA 0.356 4.526 4.170 0.000 0.000 0.292 511 I C -1.142 175.039 176.117 0.106 0.000 1.001 511 I CA -1.005 60.338 61.300 0.072 0.000 1.119 511 I CB 1.773 39.824 38.000 0.084 0.000 1.289 511 I HN 0.335 nan 8.210 nan 0.000 0.438 512 V N 7.746 127.753 119.914 0.154 0.000 2.398 512 V HA 0.473 4.593 4.120 0.000 0.000 0.286 512 V C -0.331 175.888 176.094 0.208 0.000 1.026 512 V CA -0.534 61.867 62.300 0.168 0.000 0.868 512 V CB 1.637 33.557 31.823 0.162 0.000 0.982 512 V HN 0.530 nan 8.190 nan 0.000 0.443 513 V N 0.949 120.982 119.914 0.198 0.000 2.735 513 V HA 0.767 4.887 4.120 0.000 0.000 0.310 513 V C -1.148 175.052 176.094 0.177 0.000 1.061 513 V CA -0.588 61.843 62.300 0.218 0.000 0.913 513 V CB 2.198 34.156 31.823 0.225 0.000 1.005 513 V HN 0.778 nan 8.190 nan 0.000 0.428 514 D N 3.443 123.936 120.400 0.154 0.000 2.471 514 D HA 0.431 5.071 4.640 0.000 0.000 0.245 514 D C 0.601 176.989 176.300 0.146 0.000 1.116 514 D CA -0.403 53.663 54.000 0.109 0.000 0.853 514 D CB 1.920 42.755 40.800 0.059 0.000 1.123 514 D HN 0.650 nan 8.370 nan 0.000 0.540 515 L N 2.901 124.245 121.223 0.201 0.000 2.554 515 L HA 0.052 4.393 4.340 0.000 0.000 0.226 515 L C 1.677 178.722 176.870 0.292 0.000 1.137 515 L CA 0.089 55.132 54.840 0.338 0.000 0.863 515 L CB -0.109 42.136 42.059 0.311 0.000 0.985 515 L HN 0.302 nan 8.230 nan 0.000 0.451 516 N N 0.272 119.059 118.700 0.145 0.000 2.197 516 N HA -0.102 4.638 4.740 0.000 0.000 0.184 516 N C 1.981 177.512 175.510 0.035 0.000 1.030 516 N CA 1.701 54.812 53.050 0.102 0.000 0.851 516 N CB -0.082 38.445 38.487 0.066 0.000 1.003 516 N HN 0.264 nan 8.380 nan 0.000 0.430 517 S N 0.700 116.401 115.700 0.002 0.000 2.562 517 S HA 0.096 4.566 4.470 0.000 0.000 0.221 517 S C 0.372 174.897 174.600 -0.126 0.000 0.975 517 S CA -0.205 57.965 58.200 -0.050 0.000 0.918 517 S CB -0.064 63.120 63.200 -0.027 0.000 0.772 517 S HN 0.295 nan 8.310 nan 0.000 0.531 518 R N -0.143 120.262 120.500 -0.159 0.000 3.422 518 R HA -0.143 4.197 4.340 0.000 0.000 0.267 518 R C -0.766 175.449 176.300 -0.141 0.000 1.074 518 R CA 0.822 56.712 56.100 -0.349 0.000 0.718 518 R CB -2.403 27.402 30.300 -0.827 0.000 1.157 518 R HN 0.491 nan 8.270 nan 0.000 0.440 519 E N 0.874 121.073 120.200 -0.001 0.000 2.227 519 E HA 0.606 4.956 4.350 0.000 0.000 0.268 519 E C -0.984 175.738 176.600 0.204 0.000 0.907 519 E CA -0.993 55.443 56.400 0.060 0.000 0.786 519 E CB 1.026 30.730 29.700 0.007 0.000 1.191 519 E HN 0.226 nan 8.360 nan 0.000 0.411 520 Y N 0.422 120.761 120.300 0.066 0.000 2.588 520 Y HA 0.725 5.275 4.550 0.000 0.000 0.343 520 Y C -1.549 174.453 175.900 0.169 0.000 1.065 520 Y CA -1.208 56.960 58.100 0.113 0.000 1.038 520 Y CB 1.315 39.848 38.460 0.122 0.000 1.297 520 Y HN 0.586 nan 8.280 nan 0.000 0.467 521 H N 2.869 121.994 119.070 0.091 0.000 2.689 521 H HA 0.667 5.224 4.556 0.000 0.000 0.346 521 H C -2.244 173.186 175.328 0.170 0.000 1.037 521 H CA -1.075 54.982 56.048 0.015 0.000 1.234 521 H CB 1.853 31.611 29.762 -0.007 0.000 1.572 521 H HN 0.931 nan 8.280 nan 0.000 0.524 522 L N 4.361 125.381 121.223 -0.338 0.000 2.349 522 L HA 0.478 4.818 4.340 0.000 0.000 0.278 522 L C -1.024 175.606 176.870 -0.401 0.000 0.996 522 L CA -0.184 54.536 54.840 -0.199 0.000 0.825 522 L CB 1.573 43.663 42.059 0.050 0.000 1.243 522 L HN 0.748 nan 8.230 nan 0.000 0.412 523 E N 4.088 124.121 120.200 -0.279 0.000 2.191 523 E HA 0.390 4.740 4.350 0.000 0.000 0.274 523 E C -0.497 176.051 176.600 -0.087 0.000 0.948 523 E CA -0.481 55.822 56.400 -0.161 0.000 0.802 523 E CB 1.766 31.421 29.700 -0.075 0.000 1.137 523 E HN 0.502 nan 8.360 nan 0.000 0.397 524 K N 2.115 122.476 120.400 -0.065 0.000 2.438 524 K HA 0.142 4.462 4.320 0.000 0.000 0.205 524 K C 0.143 176.727 176.600 -0.026 0.000 1.033 524 K CA 0.520 56.778 56.287 -0.049 0.000 1.089 524 K CB 0.824 33.288 32.500 -0.059 0.000 0.857 524 K HN 0.731 nan 8.250 nan 0.000 0.522 525 E N 0.000 120.190 120.200 -0.016 0.000 2.725 525 E HA 0.000 4.350 4.350 0.000 0.000 0.291 525 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 525 E CB 0.000 29.698 29.700 -0.002 0.000 0.812 525 E HN 0.000 nan 8.360 nan 0.000 0.440