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 2gvg_1_F DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKDVYK EHFQDDVFNE KGWNYILEKY DATA SEQUENCE DGHLPIEIKA VPEGFVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGLALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTQAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLEIL GKKFPVTENX KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKMWSIENI AFGSGGGLLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGINVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGQDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEIRK NAQLNI 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.801 175.800 0.002 0.000 0.967 9 F CA 0.000 58.022 58.000 0.036 0.000 1.383 9 F CB 0.000 39.085 39.000 0.142 0.000 1.145 10 N N 6.871 125.100 118.700 -0.785 0.000 2.531 10 N HA 0.272 5.012 4.740 -0.000 0.000 0.268 10 N C 0.535 175.515 175.510 -0.884 0.000 1.023 10 N CA -0.406 52.274 53.050 -0.616 0.000 0.896 10 N CB 1.307 39.559 38.487 -0.392 0.000 1.233 10 N HN 0.941 nan 8.380 nan 0.000 0.512 11 I N 2.727 122.890 120.570 -0.679 0.000 2.530 11 I HA -0.229 3.941 4.170 -0.000 0.000 0.257 11 I C 0.862 176.931 176.117 -0.080 0.000 1.179 11 I CA 0.978 62.081 61.300 -0.327 0.000 1.440 11 I CB 0.363 38.419 38.000 0.092 0.000 1.087 11 I HN 0.468 nan 8.210 nan 0.000 0.440 12 L N 0.087 121.138 121.223 -0.287 0.000 2.465 12 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 12 L C 1.517 178.533 176.870 0.242 0.000 1.145 12 L CA 1.308 56.081 54.840 -0.113 0.000 0.834 12 L CB -0.373 41.366 42.059 -0.535 0.000 0.944 12 L HN 0.232 nan 8.230 nan 0.000 0.451 13 L N -1.074 120.107 121.223 -0.070 0.000 3.066 13 L HA 0.363 4.703 4.340 -0.000 0.000 0.265 13 L C 0.840 177.641 176.870 -0.114 0.000 1.232 13 L CA -0.136 54.635 54.840 -0.115 0.000 1.031 13 L CB 0.097 41.969 42.059 -0.312 0.000 1.379 13 L HN 0.083 nan 8.230 nan 0.000 0.563 14 A N -0.293 122.500 122.820 -0.046 0.000 2.985 14 A HA 0.534 4.854 4.320 -0.000 0.000 0.303 14 A C 0.117 177.718 177.584 0.028 0.000 1.048 14 A CA -0.084 51.930 52.037 -0.038 0.000 1.016 14 A CB 0.304 19.259 19.000 -0.074 0.000 1.118 14 A HN 0.142 nan 8.150 nan 0.000 0.529 15 T N -0.957 113.570 114.554 -0.045 0.000 2.841 15 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 15 T C -1.457 173.175 174.700 -0.114 0.000 1.166 15 T CA -0.567 61.424 62.100 -0.181 0.000 1.007 15 T CB 1.158 69.623 68.868 -0.673 0.000 1.253 15 T HN 0.266 nan 8.240 nan 0.000 0.511 16 D N 1.761 122.125 120.400 -0.059 0.000 2.414 16 D HA 0.171 4.811 4.640 -0.000 0.000 0.242 16 D C 1.114 177.464 176.300 0.083 0.000 1.129 16 D CA 0.176 54.224 54.000 0.081 0.000 0.885 16 D CB 1.452 42.439 40.800 0.311 0.000 1.198 16 D HN 0.493 nan 8.370 nan 0.000 0.437 17 S N 1.315 117.095 115.700 0.132 0.000 2.365 17 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 17 S C 1.890 176.681 174.600 0.319 0.000 1.039 17 S CA 1.226 59.554 58.200 0.213 0.000 1.033 17 S CB -0.491 62.852 63.200 0.238 0.000 0.887 17 S HN 0.695 nan 8.310 nan 0.000 0.447 18 Y N 1.251 121.560 120.300 0.014 0.000 2.384 18 Y HA -0.011 4.539 4.550 -0.000 0.000 0.289 18 Y C 1.769 177.340 175.900 -0.549 0.000 1.152 18 Y CA 0.772 58.825 58.100 -0.078 0.000 1.258 18 Y CB -0.460 38.014 38.460 0.024 0.000 0.979 18 Y HN 0.109 nan 8.280 nan 0.000 0.549 19 K N 0.778 120.776 120.400 -0.671 0.000 2.362 19 K HA -0.050 4.270 4.320 -0.000 0.000 0.200 19 K C 1.838 178.090 176.600 -0.579 0.000 1.046 19 K CA 0.994 56.634 56.287 -1.078 0.000 0.952 19 K CB -0.037 32.068 32.500 -0.658 0.000 0.753 19 K HN 0.257 nan 8.250 nan 0.000 0.466 20 V N 1.400 121.063 119.914 -0.418 0.000 2.490 20 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 20 V C 2.268 178.369 176.094 0.011 0.000 1.061 20 V CA 2.259 64.465 62.300 -0.157 0.000 1.064 20 V CB -0.634 31.014 31.823 -0.293 0.000 0.670 20 V HN 0.524 nan 8.190 nan 0.000 0.461 21 T N -3.905 110.545 114.554 -0.174 0.000 3.107 21 T HA -0.005 4.345 4.350 -0.000 0.000 0.249 21 T C 1.488 176.178 174.700 -0.017 0.000 1.096 21 T CA 0.144 62.169 62.100 -0.126 0.000 1.012 21 T CB -0.309 68.435 68.868 -0.206 0.000 0.977 21 T HN 0.470 nan 8.240 nan 0.000 0.527 22 H N 1.066 120.142 119.070 0.010 0.000 2.428 22 H HA 0.046 4.602 4.556 -0.000 0.000 0.296 22 H C 1.878 177.273 175.328 0.112 0.000 1.062 22 H CA 1.043 57.067 56.048 -0.039 0.000 1.350 22 H CB -0.907 28.848 29.762 -0.012 0.000 1.403 22 H HN 0.804 nan 8.280 nan 0.000 0.533 23 Y N 1.281 121.749 120.300 0.281 0.000 2.241 23 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 23 Y C 1.783 177.872 175.900 0.315 0.000 1.166 23 Y CA 1.143 59.433 58.100 0.317 0.000 1.203 23 Y CB -0.323 38.075 38.460 -0.104 0.000 0.977 23 Y HN -0.047 nan 8.280 nan 0.000 0.529 24 K N 0.326 120.402 120.400 -0.541 0.000 2.365 24 K HA -0.029 4.291 4.320 -0.000 0.000 0.197 24 K C 1.693 178.194 176.600 -0.165 0.000 1.042 24 K CA 0.991 57.021 56.287 -0.428 0.000 0.987 24 K CB -0.041 32.068 32.500 -0.652 0.000 0.779 24 K HN 0.613 nan 8.250 nan 0.000 0.484 25 Q N -0.481 119.237 119.800 -0.137 0.000 2.376 25 Q HA 0.035 4.375 4.340 -0.000 0.000 0.206 25 Q C 0.083 175.994 176.000 -0.149 0.000 0.921 25 Q CA 0.263 55.963 55.803 -0.171 0.000 0.911 25 Q CB 0.062 28.649 28.738 -0.252 0.000 1.032 25 Q HN 0.233 nan 8.270 nan 0.000 0.510 26 Y N 1.830 122.160 120.300 0.050 0.000 2.459 26 Y HA 0.023 4.573 4.550 -0.000 0.000 0.349 26 Y C -1.695 174.189 175.900 -0.027 0.000 1.266 26 Y CA -1.795 56.332 58.100 0.045 0.000 1.483 26 Y CB -0.270 38.289 38.460 0.164 0.000 1.362 26 Y HN 0.013 nan 8.280 nan 0.000 0.628 27 P HA 0.081 nan 4.420 nan 0.000 0.269 27 P C -2.570 174.707 177.300 -0.039 0.000 1.215 27 P CA -0.911 62.200 63.100 0.018 0.000 0.780 27 P CB 0.117 31.820 31.700 0.005 0.000 0.898 28 P HA 0.062 nan 4.420 nan 0.000 0.272 28 P C -0.333 176.896 177.300 -0.118 0.000 1.223 28 P CA 0.285 63.334 63.100 -0.084 0.000 0.784 28 P CB 0.114 31.781 31.700 -0.056 0.000 0.923 29 N N -1.280 117.328 118.700 -0.154 0.000 2.740 29 N HA -0.129 4.611 4.740 -0.000 0.000 0.248 29 N C -0.816 174.579 175.510 -0.193 0.000 1.062 29 N CA 1.044 54.002 53.050 -0.153 0.000 0.704 29 N CB -2.154 36.278 38.487 -0.092 0.000 0.968 29 N HN 0.350 nan 8.380 nan 0.000 0.547 30 T N 0.117 114.474 114.554 -0.328 0.000 2.728 30 T HA 0.333 4.683 4.350 -0.000 0.000 0.296 30 T C 1.341 175.850 174.700 -0.318 0.000 0.940 30 T CA -0.119 61.793 62.100 -0.313 0.000 1.013 30 T CB 0.983 69.639 68.868 -0.353 0.000 0.912 30 T HN 0.316 nan 8.240 nan 0.000 0.484 31 S N 2.443 118.060 115.700 -0.139 0.000 2.539 31 S HA 0.288 4.758 4.470 -0.000 0.000 0.221 31 S C 0.368 174.983 174.600 0.025 0.000 0.987 31 S CA -0.487 57.691 58.200 -0.037 0.000 0.929 31 S CB 0.109 63.293 63.200 -0.026 0.000 0.832 31 S HN 0.573 nan 8.310 nan 0.000 0.492 32 K N 0.631 121.028 120.400 -0.004 0.000 2.550 32 K HA 0.576 4.896 4.320 -0.000 0.000 0.252 32 K C -2.171 174.435 176.600 0.009 0.000 0.943 32 K CA -0.497 55.808 56.287 0.030 0.000 0.806 32 K CB 2.214 34.741 32.500 0.044 0.000 1.289 32 K HN -0.004 nan 8.250 nan 0.000 0.435 33 V N 4.921 124.869 119.914 0.056 0.000 2.443 33 V HA 0.383 4.503 4.120 -0.000 0.000 0.293 33 V C -1.482 174.732 176.094 0.199 0.000 1.021 33 V CA -0.732 61.606 62.300 0.064 0.000 0.848 33 V CB 1.242 33.035 31.823 -0.049 0.000 0.998 33 V HN 0.759 nan 8.190 nan 0.000 0.424 34 Y N 3.974 124.349 120.300 0.124 0.000 2.328 34 Y HA 0.714 5.264 4.550 -0.000 0.000 0.336 34 Y C 0.154 176.135 175.900 0.136 0.000 0.960 34 Y CA 0.005 58.207 58.100 0.170 0.000 1.134 34 Y CB 1.711 40.346 38.460 0.292 0.000 1.166 34 Y HN 0.645 nan 8.280 nan 0.000 0.464 35 S N 5.246 120.817 115.700 -0.216 0.000 2.634 35 S HA 0.627 5.097 4.470 -0.000 0.000 0.296 35 S C -1.681 172.576 174.600 -0.571 0.000 1.104 35 S CA -0.700 57.290 58.200 -0.350 0.000 0.920 35 S CB 1.653 64.549 63.200 -0.506 0.000 1.111 35 S HN 0.680 nan 8.310 nan 0.000 0.493 36 Y N -0.539 119.327 120.300 -0.722 0.000 2.615 36 Y HA 0.823 5.373 4.550 -0.000 0.000 0.341 36 Y C -1.680 173.864 175.900 -0.593 0.000 1.089 36 Y CA -1.578 56.172 58.100 -0.584 0.000 1.049 36 Y CB 0.900 39.168 38.460 -0.319 0.000 1.296 36 Y HN 0.588 nan 8.280 nan 0.000 0.470 37 F N 2.413 121.872 119.950 -0.818 0.000 2.508 37 F HA 0.679 5.206 4.527 -0.000 0.000 0.325 37 F C -0.850 174.751 175.800 -0.331 0.000 1.090 37 F CA -0.335 57.216 58.000 -0.749 0.000 0.945 37 F CB 1.576 39.806 39.000 -1.283 0.000 1.156 37 F HN 0.821 nan 8.300 nan 0.000 0.463 38 E N 3.088 122.911 120.200 -0.629 0.000 2.430 38 E HA 0.442 4.792 4.350 -0.000 0.000 0.279 38 E C -1.972 174.371 176.600 -0.428 0.000 1.003 38 E CA -1.126 55.122 56.400 -0.253 0.000 0.801 38 E CB 1.393 31.109 29.700 0.026 0.000 1.313 38 E HN 0.518 nan 8.360 nan 0.000 0.459 39 C N 2.199 121.423 119.300 -0.128 0.000 2.184 39 C HA 0.419 4.879 4.460 -0.000 0.000 0.328 39 C C 0.386 175.348 174.990 -0.048 0.000 1.081 39 C CA -0.568 58.403 59.018 -0.077 0.000 1.533 39 C CB -1.362 26.412 27.740 0.056 0.000 1.905 39 C HN 0.534 nan 8.230 nan 0.000 0.439 40 R N 2.106 122.559 120.500 -0.077 0.000 2.583 40 R HA 0.015 4.355 4.340 -0.000 0.000 0.274 40 R C 0.756 177.053 176.300 -0.004 0.000 0.998 40 R CA 0.548 56.629 56.100 -0.032 0.000 1.081 40 R CB 0.634 30.911 30.300 -0.039 0.000 0.940 40 R HN 0.725 nan 8.270 nan 0.000 0.413 55 E N 0.611 120.878 120.200 0.112 0.000 2.427 55 E HA -0.033 4.317 4.350 -0.000 0.000 0.196 55 E C 0.164 176.805 176.600 0.068 0.000 1.028 55 E CA 0.565 57.011 56.400 0.077 0.000 0.864 55 E CB 0.721 30.447 29.700 0.043 0.000 0.813 55 E HN 0.475 nan 8.360 nan 0.000 0.514 56 E N 0.568 120.820 120.200 0.085 0.000 2.272 56 E HA 0.206 4.556 4.350 -0.000 0.000 0.269 56 E C -1.127 175.526 176.600 0.088 0.000 0.877 56 E CA -0.531 55.901 56.400 0.054 0.000 0.755 56 E CB 1.755 31.475 29.700 0.033 0.000 1.192 56 E HN -0.014 nan 8.360 nan 0.000 0.422 57 T N -0.886 113.708 114.554 0.066 0.000 2.876 57 T HA 0.504 4.854 4.350 -0.000 0.000 0.289 57 T C -0.564 174.201 174.700 0.108 0.000 1.014 57 T CA -0.786 61.376 62.100 0.104 0.000 0.986 57 T CB 1.230 70.181 68.868 0.139 0.000 1.021 57 T HN 0.118 nan 8.240 nan 0.000 0.458 58 V N 3.888 123.869 119.914 0.112 0.000 2.432 58 V HA 0.359 4.479 4.120 -0.000 0.000 0.271 58 V C -0.196 176.018 176.094 0.201 0.000 1.046 58 V CA -0.767 61.602 62.300 0.115 0.000 0.945 58 V CB 0.132 31.978 31.823 0.038 0.000 0.992 58 V HN 0.873 nan 8.190 nan 0.000 0.471 59 F N 7.627 127.638 119.950 0.102 0.000 2.438 59 F HA 0.555 5.082 4.527 -0.000 0.000 0.360 59 F C -0.616 175.270 175.800 0.143 0.000 1.118 59 F CA -0.510 57.564 58.000 0.123 0.000 1.164 59 F CB 0.147 39.215 39.000 0.112 0.000 1.131 59 F HN 0.531 nan 8.300 nan 0.000 0.527 60 Y N 4.301 124.273 120.300 -0.547 0.000 2.519 60 Y HA 0.536 5.086 4.550 0.000 0.000 0.336 60 Y C 0.109 175.735 175.900 -0.457 0.000 1.089 60 Y CA -0.781 57.043 58.100 -0.460 0.000 1.025 60 Y CB 1.973 40.270 38.460 -0.272 0.000 1.318 60 Y HN 0.708 nan 8.280 nan 0.000 0.452 61 G N 3.572 111.557 108.800 -1.358 0.000 2.253 61 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.209 61 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.209 61 G C 0.744 175.365 174.900 -0.466 0.000 0.997 61 G CA 0.164 44.684 45.100 -0.966 0.000 0.640 61 G HN 0.829 nan 8.290 nan 0.000 0.496 62 L N 0.528 121.455 121.223 -0.493 0.000 2.046 62 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 62 L C 2.806 179.561 176.870 -0.190 0.000 1.077 62 L CA 2.620 57.257 54.840 -0.338 0.000 0.747 62 L CB -0.296 41.586 42.059 -0.295 0.000 0.896 62 L HN 0.551 nan 8.230 nan 0.000 0.432 63 Q N -1.163 118.590 119.800 -0.077 0.000 2.181 63 Q HA -0.308 4.032 4.340 -0.000 0.000 0.205 63 Q C 2.076 177.942 176.000 -0.224 0.000 0.980 63 Q CA 2.173 57.922 55.803 -0.090 0.000 0.862 63 Q CB -0.285 28.424 28.738 -0.047 0.000 0.905 63 Q HN 0.585 nan 8.270 nan 0.000 0.429 64 Y N 0.387 120.448 120.300 -0.398 0.000 2.163 64 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 64 Y C 1.757 177.333 175.900 -0.540 0.000 1.136 64 Y CA 1.435 59.164 58.100 -0.619 0.000 1.147 64 Y CB -0.136 38.012 38.460 -0.519 0.000 0.987 64 Y HN 0.116 nan 8.280 nan 0.000 0.509 65 I N 0.513 120.888 120.570 -0.325 0.000 2.142 65 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 65 I C 2.508 178.431 176.117 -0.323 0.000 1.078 65 I CA 1.422 62.538 61.300 -0.306 0.000 1.343 65 I CB -1.639 36.265 38.000 -0.161 0.000 1.046 65 I HN 0.350 nan 8.210 nan 0.000 0.405 66 L N 0.437 121.494 121.223 -0.276 0.000 2.013 66 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 66 L C 2.430 179.207 176.870 -0.155 0.000 1.073 66 L CA 1.624 56.325 54.840 -0.233 0.000 0.753 66 L CB -0.861 41.136 42.059 -0.103 0.000 0.890 66 L HN 0.365 nan 8.230 nan 0.000 0.432 67 N N 0.093 118.683 118.700 -0.183 0.000 2.109 67 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 67 N C 1.894 177.274 175.510 -0.216 0.000 1.034 67 N CA 1.215 54.197 53.050 -0.113 0.000 0.846 67 N CB -0.075 38.435 38.487 0.038 0.000 1.010 67 N HN 0.317 nan 8.380 nan 0.000 0.425 68 K N -0.284 119.790 120.400 -0.544 0.000 2.155 68 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 68 K C 0.848 176.911 176.600 -0.896 0.000 1.052 68 K CA 1.189 56.982 56.287 -0.823 0.000 0.948 68 K CB 0.174 31.734 32.500 -1.568 0.000 0.728 68 K HN 0.276 nan 8.250 nan 0.000 0.448 69 Y N -1.595 118.453 120.300 -0.420 0.000 2.494 69 Y HA 0.167 4.717 4.550 -0.000 0.000 0.271 69 Y C 1.474 177.312 175.900 -0.102 0.000 1.113 69 Y CA -0.455 57.424 58.100 -0.369 0.000 1.240 69 Y CB 0.663 38.796 38.460 -0.544 0.000 1.268 69 Y HN -0.145 nan 8.280 nan 0.000 0.510 70 L N 0.832 122.051 121.223 -0.008 0.000 2.463 70 L HA 0.119 4.459 4.340 -0.000 0.000 0.219 70 L C 0.758 177.697 176.870 0.116 0.000 1.088 70 L CA 0.191 55.010 54.840 -0.035 0.000 0.849 70 L CB 0.039 41.867 42.059 -0.386 0.000 1.012 70 L HN 0.038 nan 8.230 nan 0.000 0.468 71 K N 0.719 121.209 120.400 0.151 0.000 2.090 71 K HA 0.562 4.883 4.320 -0.000 0.000 0.250 71 K C 0.542 177.135 176.600 -0.012 0.000 1.004 71 K CA 0.195 56.610 56.287 0.214 0.000 0.919 71 K CB 1.176 33.784 32.500 0.180 0.000 1.045 71 K HN 0.008 nan 8.250 nan 0.000 0.471 72 G N 0.982 109.671 108.800 -0.185 0.000 2.645 72 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.239 72 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.239 72 G C -1.000 173.486 174.900 -0.691 0.000 1.331 72 G CA 0.158 44.991 45.100 -0.445 0.000 0.890 72 G HN 0.876 nan 8.290 nan 0.000 0.572 73 K N 0.298 120.471 120.400 -0.378 0.000 2.315 73 K HA 0.412 4.732 4.320 -0.000 0.000 0.291 73 K C 1.434 178.028 176.600 -0.009 0.000 1.074 73 K CA 0.291 56.518 56.287 -0.100 0.000 0.936 73 K CB 0.281 32.841 32.500 0.101 0.000 1.049 73 K HN 1.271 nan 8.250 nan 0.000 0.471 74 V N 1.719 121.653 119.914 0.034 0.000 3.578 74 V HA 0.226 4.346 4.120 -0.000 0.000 0.290 74 V C -0.111 176.016 176.094 0.055 0.000 1.376 74 V CA -0.364 61.985 62.300 0.082 0.000 1.083 74 V CB 0.518 32.425 31.823 0.140 0.000 0.911 74 V HN 0.256 nan 8.190 nan 0.000 0.433 75 V N 1.572 121.535 119.914 0.081 0.000 2.588 75 V HA 0.790 4.910 4.120 -0.000 0.000 0.304 75 V C 0.054 176.186 176.094 0.064 0.000 1.042 75 V CA 0.421 62.755 62.300 0.057 0.000 0.877 75 V CB 1.664 33.607 31.823 0.200 0.000 0.996 75 V HN 0.626 nan 8.190 nan 0.000 0.425 76 T N 0.415 114.983 114.554 0.022 0.000 2.865 76 T HA 0.526 4.876 4.350 -0.000 0.000 0.294 76 T C 0.498 175.213 174.700 0.025 0.000 1.119 76 T CA -0.685 61.433 62.100 0.030 0.000 1.007 76 T CB 2.283 71.158 68.868 0.013 0.000 1.225 76 T HN 0.350 nan 8.240 nan 0.000 0.515 77 K N 0.422 120.839 120.400 0.029 0.000 2.097 77 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 77 K C 1.854 178.459 176.600 0.008 0.000 1.049 77 K CA 1.642 57.947 56.287 0.031 0.000 0.933 77 K CB -0.593 31.924 32.500 0.029 0.000 0.717 77 K HN 0.678 nan 8.250 nan 0.000 0.442 78 E N 0.405 120.600 120.200 -0.008 0.000 2.077 78 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 78 E C 1.794 178.357 176.600 -0.062 0.000 0.989 78 E CA 1.434 57.816 56.400 -0.029 0.000 0.800 78 E CB -0.051 29.632 29.700 -0.028 0.000 0.746 78 E HN 0.280 nan 8.360 nan 0.000 0.452 79 K N 0.107 120.462 120.400 -0.076 0.000 2.097 79 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 79 K C 2.160 178.662 176.600 -0.163 0.000 1.050 79 K CA 0.950 57.153 56.287 -0.140 0.000 0.938 79 K CB -0.147 32.258 32.500 -0.159 0.000 0.718 79 K HN 0.118 nan 8.250 nan 0.000 0.442 80 I N 1.086 121.609 120.570 -0.078 0.000 2.179 80 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 80 I C 2.649 178.750 176.117 -0.026 0.000 1.088 80 I CA 1.106 62.408 61.300 0.004 0.000 1.357 80 I CB -0.227 37.854 38.000 0.135 0.000 1.051 80 I HN 0.211 nan 8.210 nan 0.000 0.409 81 Q N 0.569 120.357 119.800 -0.021 0.000 2.096 81 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 81 Q C 2.016 177.949 176.000 -0.111 0.000 0.982 81 Q CA 1.829 57.614 55.803 -0.032 0.000 0.850 81 Q CB -0.308 28.419 28.738 -0.018 0.000 0.901 81 Q HN 0.572 nan 8.270 nan 0.000 0.422 82 E N -0.285 119.824 120.200 -0.152 0.000 2.051 82 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 82 E C 1.825 178.226 176.600 -0.333 0.000 0.991 82 E CA 1.150 57.427 56.400 -0.205 0.000 0.799 82 E CB -0.044 29.538 29.700 -0.197 0.000 0.748 82 E HN 0.282 nan 8.360 nan 0.000 0.449 83 A N 1.454 124.005 122.820 -0.449 0.000 1.933 83 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 83 A C 2.144 179.254 177.584 -0.789 0.000 1.175 83 A CA 1.772 53.358 52.037 -0.751 0.000 0.628 83 A CB -0.535 17.980 19.000 -0.808 0.000 0.814 83 A HN 0.266 nan 8.150 nan 0.000 0.444 84 K N -0.474 119.575 120.400 -0.584 0.000 2.057 84 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 84 K C 1.291 177.847 176.600 -0.073 0.000 1.049 84 K CA 1.751 57.904 56.287 -0.224 0.000 0.931 84 K CB -0.200 32.350 32.500 0.083 0.000 0.714 84 K HN 0.394 nan 8.250 nan 0.000 0.440 85 D N 0.265 120.596 120.400 -0.114 0.000 2.097 85 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 85 D C 2.032 178.282 176.300 -0.083 0.000 0.984 85 D CA 1.010 54.971 54.000 -0.065 0.000 0.826 85 D CB -0.303 40.452 40.800 -0.075 0.000 0.973 85 D HN 0.034 nan 8.370 nan 0.000 0.460 86 V N 0.542 120.331 119.914 -0.210 0.000 2.295 86 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 86 V C 2.164 178.199 176.094 -0.100 0.000 1.049 86 V CA 1.523 63.674 62.300 -0.248 0.000 1.024 86 V CB -0.740 30.792 31.823 -0.485 0.000 0.648 86 V HN 0.287 nan 8.190 nan 0.000 0.447 87 Y N 0.075 120.380 120.300 0.008 0.000 2.352 87 Y HA -0.219 4.331 4.550 -0.000 0.000 0.292 87 Y C 2.585 178.669 175.900 0.307 0.000 1.136 87 Y CA 1.492 59.733 58.100 0.234 0.000 1.227 87 Y CB -0.099 38.527 38.460 0.277 0.000 0.991 87 Y HN 0.202 nan 8.280 nan 0.000 0.545 88 K N 0.499 121.086 120.400 0.312 0.000 2.097 88 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 88 K C 1.654 178.373 176.600 0.198 0.000 1.049 88 K CA 1.562 57.993 56.287 0.241 0.000 0.933 88 K CB 0.110 32.701 32.500 0.152 0.000 0.717 88 K HN 0.181 nan 8.250 nan 0.000 0.442 89 E N -0.234 120.057 120.200 0.152 0.000 2.086 89 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 89 E C 1.951 178.621 176.600 0.117 0.000 0.975 89 E CA 0.849 57.311 56.400 0.105 0.000 0.813 89 E CB -0.444 29.289 29.700 0.055 0.000 0.768 89 E HN 0.503 nan 8.360 nan 0.000 0.457 90 H N -0.904 118.179 119.070 0.021 0.000 2.352 90 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 90 H C 1.206 176.423 175.328 -0.185 0.000 1.097 90 H CA 1.322 57.304 56.048 -0.110 0.000 1.311 90 H CB 0.068 29.738 29.762 -0.152 0.000 1.377 90 H HN 0.105 nan 8.280 nan 0.000 0.504 91 F N 0.131 120.105 119.950 0.039 0.000 2.731 91 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 91 F C 0.724 176.524 175.800 0.001 0.000 1.106 91 F CA -0.174 57.806 58.000 -0.034 0.000 1.329 91 F CB 0.585 39.606 39.000 0.035 0.000 1.100 91 F HN 0.003 nan 8.300 nan 0.000 0.592 92 Q N 1.475 121.388 119.800 0.188 0.000 2.468 92 Q HA -0.240 4.100 4.340 -0.000 0.000 0.289 92 Q C -0.997 175.085 176.000 0.138 0.000 1.299 92 Q CA 1.183 57.060 55.803 0.124 0.000 0.838 92 Q CB -1.712 27.070 28.738 0.074 0.000 1.195 92 Q HN 0.517 nan 8.270 nan 0.000 0.456 93 D N -1.057 119.453 120.400 0.184 0.000 2.694 93 D HA 0.150 4.790 4.640 -0.000 0.000 0.260 93 D C -1.006 175.392 176.300 0.164 0.000 1.250 93 D CA -0.458 53.625 54.000 0.138 0.000 0.763 93 D CB 0.938 41.800 40.800 0.102 0.000 1.311 93 D HN -0.135 nan 8.370 nan 0.000 0.420 94 D N 1.493 121.968 120.400 0.125 0.000 2.706 94 D HA 0.047 4.687 4.640 -0.000 0.000 0.236 94 D C 1.561 177.947 176.300 0.144 0.000 1.231 94 D CA 0.000 54.095 54.000 0.158 0.000 0.828 94 D CB 0.729 41.606 40.800 0.129 0.000 1.015 94 D HN 0.075 nan 8.370 nan 0.000 0.484 95 V N 0.620 120.581 119.914 0.078 0.000 2.867 95 V HA -0.150 3.970 4.120 -0.000 0.000 0.260 95 V C 0.739 176.911 176.094 0.130 0.000 1.099 95 V CA 0.617 62.925 62.300 0.014 0.000 1.122 95 V CB -0.719 30.962 31.823 -0.237 0.000 0.708 95 V HN 0.134 nan 8.190 nan 0.000 0.490 96 F N 2.166 122.142 119.950 0.044 0.000 2.607 96 F HA 0.048 4.575 4.527 -0.000 0.000 0.374 96 F C 0.858 176.653 175.800 -0.009 0.000 1.104 96 F CA 0.179 58.226 58.000 0.079 0.000 1.296 96 F CB -0.316 38.834 39.000 0.251 0.000 1.085 96 F HN 0.196 nan 8.300 nan 0.000 0.584 97 N N 5.165 123.235 118.700 -1.051 0.000 3.050 97 N HA -0.040 4.700 4.740 -0.000 0.000 0.289 97 N C 1.231 175.990 175.510 -1.253 0.000 1.209 97 N CA -0.019 52.255 53.050 -1.293 0.000 1.154 97 N CB -0.010 37.331 38.487 -1.910 0.000 1.444 97 N HN 0.917 nan 8.380 nan 0.000 0.529 98 E N 1.999 121.641 120.200 -0.931 0.000 2.085 98 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 98 E C 1.221 177.697 176.600 -0.206 0.000 0.994 98 E CA 1.288 57.433 56.400 -0.425 0.000 0.801 98 E CB 0.293 29.982 29.700 -0.019 0.000 0.743 98 E HN 0.496 nan 8.360 nan 0.000 0.453 99 K N -0.310 119.955 120.400 -0.225 0.000 2.026 99 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 99 K C 2.255 178.788 176.600 -0.112 0.000 1.048 99 K CA 1.164 57.381 56.287 -0.116 0.000 0.929 99 K CB -0.379 32.058 32.500 -0.105 0.000 0.713 99 K HN 0.233 nan 8.250 nan 0.000 0.439 100 G N 0.333 108.925 108.800 -0.346 0.000 2.442 100 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 100 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 100 G C 1.043 175.904 174.900 -0.066 0.000 1.141 100 G CA 0.565 45.473 45.100 -0.320 0.000 0.763 100 G HN 0.369 nan 8.290 nan 0.000 0.554 101 W N 0.442 121.655 121.300 -0.146 0.000 2.518 101 W HA 0.153 4.813 4.660 -0.000 0.000 0.273 101 W C 2.474 179.045 176.519 0.087 0.000 1.247 101 W CA 0.351 57.718 57.345 0.037 0.000 1.288 101 W CB 0.041 29.482 29.460 -0.033 0.000 1.107 101 W HN 0.181 nan 8.180 nan 0.000 0.586 102 N N -0.837 118.015 118.700 0.254 0.000 2.244 102 N HA -0.247 4.493 4.740 -0.000 0.000 0.183 102 N C 1.490 177.100 175.510 0.167 0.000 1.016 102 N CA 1.336 54.497 53.050 0.185 0.000 0.866 102 N CB -0.459 38.101 38.487 0.121 0.000 0.980 102 N HN 0.123 nan 8.380 nan 0.000 0.430 103 Y N 1.192 121.534 120.300 0.071 0.000 2.181 103 Y HA -0.096 4.454 4.550 -0.000 0.000 0.288 103 Y C 1.749 177.687 175.900 0.065 0.000 1.146 103 Y CA 1.375 59.502 58.100 0.045 0.000 1.164 103 Y CB -0.144 38.344 38.460 0.047 0.000 0.982 103 Y HN 0.054 nan 8.280 nan 0.000 0.515 104 I N -0.696 119.983 120.570 0.182 0.000 2.353 104 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 104 I C 2.230 178.434 176.117 0.144 0.000 1.119 104 I CA 1.001 62.414 61.300 0.188 0.000 1.417 104 I CB -0.350 37.812 38.000 0.270 0.000 1.078 104 I HN 0.319 nan 8.210 nan 0.000 0.421 105 L N 0.943 122.262 121.223 0.160 0.000 2.027 105 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 105 L C 2.340 179.221 176.870 0.019 0.000 1.074 105 L CA 1.919 56.834 54.840 0.125 0.000 0.745 105 L CB -0.594 41.547 42.059 0.137 0.000 0.898 105 L HN 0.178 nan 8.230 nan 0.000 0.433 106 E N -0.582 119.590 120.200 -0.048 0.000 2.107 106 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 106 E C 2.040 178.498 176.600 -0.238 0.000 0.982 106 E CA 1.181 57.514 56.400 -0.111 0.000 0.809 106 E CB -0.062 29.582 29.700 -0.093 0.000 0.756 106 E HN 0.329 nan 8.360 nan 0.000 0.459 107 K N 0.208 120.336 120.400 -0.454 0.000 2.116 107 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 107 K C 0.605 176.743 176.600 -0.770 0.000 1.052 107 K CA 1.120 56.947 56.287 -0.766 0.000 0.952 107 K CB 0.172 31.841 32.500 -1.384 0.000 0.729 107 K HN 0.141 nan 8.250 nan 0.000 0.446 108 Y N -0.242 119.976 120.300 -0.137 0.000 2.707 108 Y HA 0.220 4.770 4.550 0.000 0.000 0.249 108 Y C -0.465 175.427 175.900 -0.013 0.000 1.166 108 Y CA -0.527 57.530 58.100 -0.072 0.000 1.184 108 Y CB 0.678 39.127 38.460 -0.018 0.000 1.240 108 Y HN 0.055 nan 8.280 nan 0.000 0.547 109 D N 1.377 121.828 120.400 0.085 0.000 2.686 109 D HA -0.204 4.436 4.640 -0.000 0.000 0.235 109 D C 1.298 177.760 176.300 0.270 0.000 1.160 109 D CA 1.636 55.706 54.000 0.118 0.000 0.645 109 D CB -1.098 39.734 40.800 0.052 0.000 1.039 109 D HN 0.783 nan 8.370 nan 0.000 0.423 110 G N -0.259 108.702 108.800 0.268 0.000 2.162 110 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 110 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 110 G C 0.098 175.178 174.900 0.299 0.000 0.976 110 G CA 0.414 45.683 45.100 0.282 0.000 0.655 110 G HN 0.684 nan 8.290 nan 0.000 0.533 111 H N 0.002 119.168 119.070 0.160 0.000 2.668 111 H HA 0.507 5.063 4.556 -0.000 0.000 0.303 111 H C 1.147 176.511 175.328 0.060 0.000 1.074 111 H CA -0.605 55.507 56.048 0.106 0.000 1.406 111 H CB 0.622 30.413 29.762 0.047 0.000 1.442 111 H HN 0.252 nan 8.280 nan 0.000 0.482 112 L N 6.505 127.824 121.223 0.160 0.000 2.615 112 L HA 0.057 4.397 4.340 -0.000 0.000 0.271 112 L C -1.675 175.188 176.870 -0.012 0.000 1.183 112 L CA -1.260 53.647 54.840 0.113 0.000 0.933 112 L CB 0.251 42.444 42.059 0.222 0.000 1.199 112 L HN 0.485 nan 8.230 nan 0.000 0.487 113 P HA 0.216 nan 4.420 nan 0.000 0.238 113 P C -0.670 176.565 177.300 -0.107 0.000 1.794 113 P CA 0.070 63.002 63.100 -0.280 0.000 1.088 113 P CB 0.251 31.716 31.700 -0.391 0.000 1.923 114 I N 1.197 121.782 120.570 0.025 0.000 2.769 114 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 114 I C 0.075 176.312 176.117 0.199 0.000 1.128 114 I CA -1.024 60.353 61.300 0.128 0.000 1.031 114 I CB 2.974 41.099 38.000 0.208 0.000 1.235 114 I HN 0.179 nan 8.210 nan 0.000 0.423 115 E N 5.704 126.008 120.200 0.175 0.000 2.191 115 E HA 0.609 4.959 4.350 -0.000 0.000 0.263 115 E C -1.624 175.100 176.600 0.207 0.000 0.881 115 E CA -0.470 56.038 56.400 0.179 0.000 0.757 115 E CB 1.772 31.538 29.700 0.110 0.000 1.147 115 E HN 0.467 nan 8.360 nan 0.000 0.414 116 I N 4.388 125.111 120.570 0.254 0.000 2.406 116 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 116 I C -0.348 175.872 176.117 0.172 0.000 0.999 116 I CA -0.793 60.627 61.300 0.200 0.000 1.124 116 I CB 1.681 39.768 38.000 0.146 0.000 1.289 116 I HN 0.320 nan 8.210 nan 0.000 0.441 117 K N 5.233 125.725 120.400 0.154 0.000 2.221 117 K HA 0.879 5.199 4.320 -0.000 0.000 0.258 117 K C -0.896 175.781 176.600 0.130 0.000 0.944 117 K CA -0.568 55.793 56.287 0.123 0.000 0.823 117 K CB 2.597 35.148 32.500 0.085 0.000 1.113 117 K HN 0.706 nan 8.250 nan 0.000 0.431 118 A N 1.609 124.486 122.820 0.094 0.000 2.594 118 A HA 0.473 4.793 4.320 -0.000 0.000 0.291 118 A C -1.312 176.223 177.584 -0.082 0.000 1.105 118 A CA -0.702 51.342 52.037 0.012 0.000 0.694 118 A CB 1.504 20.547 19.000 0.072 0.000 1.291 118 A HN 0.456 nan 8.150 nan 0.000 0.410 119 V N 1.511 121.240 119.914 -0.309 0.000 2.775 119 V HA 0.399 4.519 4.120 -0.000 0.000 0.299 119 V C -2.235 173.675 176.094 -0.307 0.000 1.062 119 V CA -1.589 60.520 62.300 -0.319 0.000 1.063 119 V CB 1.049 32.676 31.823 -0.327 0.000 0.994 119 V HN 0.761 nan 8.190 nan 0.000 0.483 120 P HA 0.075 nan 4.420 nan 0.000 0.266 120 P C -0.660 176.380 177.300 -0.434 0.000 1.195 120 P CA 0.169 62.808 63.100 -0.768 0.000 0.768 120 P CB 0.253 31.309 31.700 -1.074 0.000 0.838 121 E N 1.631 121.554 120.200 -0.460 0.000 2.376 121 E HA 0.226 4.576 4.350 -0.000 0.000 0.266 121 E C 1.219 177.806 176.600 -0.021 0.000 1.009 121 E CA 0.851 57.227 56.400 -0.039 0.000 0.902 121 E CB -0.010 29.706 29.700 0.027 0.000 0.972 121 E HN 0.785 nan 8.360 nan 0.000 0.439 122 G N 3.159 112.022 108.800 0.104 0.000 2.254 122 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 122 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 122 G C 0.029 175.034 174.900 0.175 0.000 1.003 122 G CA -0.543 44.584 45.100 0.046 0.000 0.622 122 G HN 0.442 nan 8.290 nan 0.000 0.507 123 F N 1.201 121.151 119.950 -0.001 0.000 2.602 123 F HA 0.449 4.976 4.527 0.000 0.000 0.367 123 F C 1.024 176.824 175.800 0.001 0.000 1.126 123 F CA -0.228 57.778 58.000 0.010 0.000 1.321 123 F CB 1.226 40.242 39.000 0.026 0.000 1.094 123 F HN 0.006 nan 8.300 nan 0.000 0.594 124 V N 6.117 126.038 119.914 0.011 0.000 2.328 124 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 124 V C -0.253 175.716 176.094 -0.209 0.000 1.021 124 V CA -0.551 61.719 62.300 -0.050 0.000 0.838 124 V CB 1.004 32.787 31.823 -0.066 0.000 0.999 124 V HN 0.397 nan 8.190 nan 0.000 0.447 125 I N 8.090 128.527 120.570 -0.222 0.000 2.509 125 I HA 0.530 4.700 4.170 -0.000 0.000 0.293 125 I C -2.206 173.755 176.117 -0.260 0.000 1.020 125 I CA -2.189 58.815 61.300 -0.493 0.000 1.088 125 I CB 2.500 40.261 38.000 -0.398 0.000 1.267 125 I HN 0.400 nan 8.210 nan 0.000 0.430 126 P HA 0.174 nan 4.420 nan 0.000 0.272 126 P C -0.477 176.802 177.300 -0.034 0.000 1.230 126 P CA -0.453 62.604 63.100 -0.071 0.000 0.788 126 P CB 0.633 32.332 31.700 -0.002 0.000 0.949 127 R N 0.218 120.725 120.500 0.013 0.000 2.784 127 R HA 0.291 4.631 4.340 -0.000 0.000 0.266 127 R C 1.299 177.610 176.300 0.018 0.000 1.044 127 R CA 1.036 57.151 56.100 0.025 0.000 1.151 127 R CB -0.597 29.729 30.300 0.042 0.000 1.037 127 R HN 0.888 nan 8.270 nan 0.000 0.478 128 G N 1.001 109.811 108.800 0.017 0.000 2.136 128 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 128 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 128 G C -0.553 174.354 174.900 0.013 0.000 0.989 128 G CA 0.150 45.261 45.100 0.017 0.000 0.682 128 G HN 0.642 nan 8.290 nan 0.000 0.522 129 N N -1.333 117.374 118.700 0.013 0.000 2.272 129 N HA 0.551 5.291 4.740 -0.000 0.000 0.305 129 N C -0.119 175.402 175.510 0.018 0.000 1.103 129 N CA -0.420 52.631 53.050 0.003 0.000 0.791 129 N CB 2.631 41.114 38.487 -0.007 0.000 1.356 129 N HN 0.307 nan 8.380 nan 0.000 0.486 130 V N 3.141 123.051 119.914 -0.006 0.000 2.529 130 V HA 0.080 4.200 4.120 -0.000 0.000 0.292 130 V C 0.521 176.607 176.094 -0.013 0.000 1.028 130 V CA 0.530 62.847 62.300 0.028 0.000 1.074 130 V CB -0.247 31.546 31.823 -0.050 0.000 0.958 130 V HN 0.642 nan 8.190 nan 0.000 0.481 131 L N 6.780 128.001 121.223 -0.004 0.000 2.357 131 L HA 0.387 4.727 4.340 -0.000 0.000 0.211 131 L C 0.239 176.998 176.870 -0.186 0.000 1.075 131 L CA 0.383 55.125 54.840 -0.163 0.000 0.830 131 L CB -0.010 42.044 42.059 -0.008 0.000 0.996 131 L HN 0.774 nan 8.230 nan 0.000 0.467 132 F N -1.724 118.184 119.950 -0.071 0.000 2.719 132 F HA 0.618 5.145 4.527 -0.000 0.000 0.309 132 F C -0.755 175.054 175.800 0.016 0.000 1.138 132 F CA -1.097 56.870 58.000 -0.056 0.000 0.943 132 F CB 1.013 39.996 39.000 -0.029 0.000 1.304 132 F HN -0.186 nan 8.300 nan 0.000 0.445 133 T N -0.276 114.414 114.554 0.226 0.000 2.906 133 T HA 0.869 5.219 4.350 -0.000 0.000 0.295 133 T C -1.586 173.159 174.700 0.076 0.000 1.075 133 T CA -0.875 61.205 62.100 -0.035 0.000 1.005 133 T CB 1.726 70.441 68.868 -0.256 0.000 1.136 133 T HN 0.918 nan 8.240 nan 0.000 0.498 134 V N 1.940 121.807 119.914 -0.078 0.000 2.760 134 V HA 0.763 4.883 4.120 -0.000 0.000 0.309 134 V C -0.775 175.318 176.094 -0.003 0.000 1.077 134 V CA -0.868 61.478 62.300 0.078 0.000 0.910 134 V CB 1.626 33.625 31.823 0.293 0.000 1.008 134 V HN 1.204 nan 8.190 nan 0.000 0.424 135 E N 2.276 122.532 120.200 0.093 0.000 2.392 135 E HA 0.440 4.790 4.350 -0.000 0.000 0.279 135 E C -1.206 175.453 176.600 0.098 0.000 0.964 135 E CA -1.092 55.390 56.400 0.136 0.000 0.777 135 E CB 1.992 31.857 29.700 0.275 0.000 1.249 135 E HN 0.780 nan 8.360 nan 0.000 0.449 136 N N -0.273 118.460 118.700 0.055 0.000 2.525 136 N HA 0.142 4.882 4.740 -0.000 0.000 0.271 136 N C 0.564 176.085 175.510 0.019 0.000 1.194 136 N CA -0.094 52.946 53.050 -0.017 0.000 0.964 136 N CB 1.346 39.772 38.487 -0.102 0.000 1.126 136 N HN 0.632 nan 8.380 nan 0.000 0.452 137 T N -3.765 110.782 114.554 -0.012 0.000 3.040 137 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 137 T C -0.081 174.636 174.700 0.027 0.000 1.058 137 T CA -0.054 62.050 62.100 0.006 0.000 0.988 137 T CB -0.045 68.805 68.868 -0.030 0.000 0.993 137 T HN 0.609 nan 8.240 nan 0.000 0.519 138 D N 1.959 122.379 120.400 0.032 0.000 2.492 138 D HA 0.304 4.944 4.640 -0.000 0.000 0.248 138 D C -1.800 174.542 176.300 0.071 0.000 1.101 138 D CA -2.442 51.625 54.000 0.112 0.000 0.840 138 D CB 2.739 43.696 40.800 0.262 0.000 1.209 138 D HN -0.127 nan 8.370 nan 0.000 0.524 139 P HA -0.175 nan 4.420 nan 0.000 0.217 139 P C 0.828 178.194 177.300 0.110 0.000 1.148 139 P CA 0.967 64.110 63.100 0.072 0.000 0.828 139 P CB 0.574 32.303 31.700 0.048 0.000 0.783 140 E N -0.647 119.577 120.200 0.040 0.000 2.265 140 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 140 E C 1.171 177.777 176.600 0.010 0.000 0.996 140 E CA 0.833 57.215 56.400 -0.030 0.000 0.832 140 E CB -0.575 28.834 29.700 -0.485 0.000 0.756 140 E HN 0.347 nan 8.360 nan 0.000 0.491 141 C N 1.693 120.902 119.300 -0.153 0.000 2.404 141 C HA 0.155 4.615 4.460 -0.000 0.000 0.325 141 C C 1.787 176.332 174.990 -0.742 0.000 1.363 141 C CA -1.073 57.532 59.018 -0.688 0.000 1.775 141 C CB -2.318 25.064 27.740 -0.597 0.000 2.254 141 C HN 0.457 nan 8.230 nan 0.000 0.568 142 Y N 0.115 120.246 120.300 -0.283 0.000 2.298 142 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 142 Y C 2.165 177.931 175.900 -0.223 0.000 1.164 142 Y CA 1.544 59.521 58.100 -0.205 0.000 1.229 142 Y CB -0.875 37.509 38.460 -0.127 0.000 0.977 142 Y HN 0.639 nan 8.280 nan 0.000 0.538 143 W N 0.460 121.116 121.300 -1.073 0.000 2.678 143 W HA 0.058 4.718 4.660 0.000 0.000 0.256 143 W C 1.557 177.983 176.519 -0.155 0.000 1.280 143 W CA 0.107 57.108 57.345 -0.572 0.000 1.345 143 W CB -1.024 28.075 29.460 -0.602 0.000 1.118 143 W HN 0.224 nan 8.180 nan 0.000 0.629 144 L N 1.689 122.306 121.223 -1.009 0.000 2.083 144 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 144 L C 2.513 179.308 176.870 -0.124 0.000 1.083 144 L CA 2.164 56.527 54.840 -0.795 0.000 0.752 144 L CB -0.762 40.665 42.059 -1.054 0.000 0.899 144 L HN -0.069 nan 8.230 nan 0.000 0.433 145 T N 0.033 114.539 114.554 -0.079 0.000 2.624 145 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 145 T C 1.433 176.301 174.700 0.280 0.000 1.041 145 T CA 2.138 64.310 62.100 0.119 0.000 1.159 145 T CB -0.296 68.645 68.868 0.122 0.000 0.863 145 T HN 0.318 nan 8.240 nan 0.000 0.434 146 N N -0.272 118.620 118.700 0.320 0.000 2.412 146 N HA 0.064 4.804 4.740 -0.000 0.000 0.184 146 N C 1.130 176.820 175.510 0.301 0.000 1.101 146 N CA -0.032 53.233 53.050 0.360 0.000 0.881 146 N CB -0.116 38.628 38.487 0.429 0.000 0.969 146 N HN 0.475 nan 8.380 nan 0.000 0.459 147 W N 1.837 123.259 121.300 0.204 0.000 2.363 147 W HA -0.035 4.625 4.660 -0.000 0.000 0.296 147 W C 0.979 177.594 176.519 0.160 0.000 1.212 147 W CA 0.925 58.418 57.345 0.245 0.000 1.260 147 W CB -0.096 29.600 29.460 0.394 0.000 1.131 147 W HN 0.057 nan 8.180 nan 0.000 0.530 148 I N -0.584 120.222 120.570 0.394 0.000 3.749 148 I HA 0.077 4.247 4.170 -0.000 0.000 0.314 148 I C 1.774 177.857 176.117 -0.057 0.000 1.267 148 I CA 0.700 62.131 61.300 0.218 0.000 1.169 148 I CB -0.710 37.405 38.000 0.192 0.000 1.009 148 I HN -0.032 nan 8.210 nan 0.000 0.444 149 E N 2.200 122.259 120.200 -0.236 0.000 2.051 149 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 149 E C 1.734 178.128 176.600 -0.344 0.000 0.991 149 E CA 2.366 58.313 56.400 -0.755 0.000 0.799 149 E CB -0.115 29.152 29.700 -0.723 0.000 0.748 149 E HN 0.528 nan 8.360 nan 0.000 0.449 150 T N 1.424 115.897 114.554 -0.134 0.000 2.635 150 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 150 T C 1.915 176.620 174.700 0.008 0.000 1.040 150 T CA 1.577 63.663 62.100 -0.024 0.000 1.156 150 T CB -0.422 68.442 68.868 -0.006 0.000 0.863 150 T HN 0.247 nan 8.240 nan 0.000 0.430 151 I N 0.783 121.351 120.570 -0.003 0.000 2.226 151 I HA -0.068 4.102 4.170 -0.000 0.000 0.245 151 I C 2.095 178.212 176.117 -0.000 0.000 1.100 151 I CA 1.305 62.600 61.300 -0.009 0.000 1.374 151 I CB -0.302 37.697 38.000 -0.000 0.000 1.057 151 I HN 0.200 nan 8.210 nan 0.000 0.413 152 L N -0.724 120.493 121.223 -0.010 0.000 2.093 152 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 152 L C 2.458 179.432 176.870 0.173 0.000 1.085 152 L CA 0.833 55.699 54.840 0.043 0.000 0.755 152 L CB -0.618 41.512 42.059 0.119 0.000 0.904 152 L HN 0.093 nan 8.230 nan 0.000 0.435 153 V N -0.383 119.658 119.914 0.212 0.000 2.720 153 V HA -0.268 3.852 4.120 -0.000 0.000 0.256 153 V C 2.264 178.661 176.094 0.505 0.000 1.082 153 V CA 1.378 63.949 62.300 0.452 0.000 1.101 153 V CB -0.557 31.479 31.823 0.355 0.000 0.693 153 V HN 0.534 nan 8.190 nan 0.000 0.479 154 Q N 0.291 120.270 119.800 0.297 0.000 2.500 154 Q HA -0.131 4.209 4.340 -0.000 0.000 0.213 154 Q C 2.240 178.223 176.000 -0.028 0.000 0.974 154 Q CA 1.334 57.255 55.803 0.196 0.000 0.918 154 Q CB -0.251 28.531 28.738 0.074 0.000 0.980 154 Q HN 0.827 nan 8.270 nan 0.000 0.505 155 S N 0.463 116.185 115.700 0.036 0.000 2.547 155 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 155 S C 1.525 176.127 174.600 0.003 0.000 0.980 155 S CA 0.313 58.453 58.200 -0.099 0.000 0.941 155 S CB -0.705 62.376 63.200 -0.199 0.000 0.763 155 S HN 0.688 nan 8.310 nan 0.000 0.532 156 W N 0.717 122.156 121.300 0.231 0.000 2.374 156 W HA -0.170 4.490 4.660 -0.000 0.000 0.288 156 W C 1.749 178.390 176.519 0.203 0.000 1.218 156 W CA 0.677 58.208 57.345 0.310 0.000 1.245 156 W CB -1.046 28.607 29.460 0.322 0.000 1.126 156 W HN 0.360 nan 8.180 nan 0.000 0.545 157 Y N 3.527 123.073 120.300 -1.257 0.000 2.089 157 Y HA -0.060 4.490 4.550 0.000 0.000 0.282 157 Y C -0.349 175.267 175.900 -0.474 0.000 1.139 157 Y CA 1.792 59.094 58.100 -1.330 0.000 1.123 157 Y CB -1.868 35.792 38.460 -1.334 0.000 0.980 157 Y HN -0.214 nan 8.280 nan 0.000 0.493 158 P HA -0.180 nan 4.420 nan 0.000 0.215 158 P C 1.855 179.061 177.300 -0.157 0.000 1.153 158 P CA 2.202 65.098 63.100 -0.339 0.000 0.853 158 P CB -0.106 31.385 31.700 -0.347 0.000 0.788 159 I N -1.192 119.315 120.570 -0.105 0.000 2.179 159 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 159 I C 2.041 178.182 176.117 0.039 0.000 1.088 159 I CA 1.764 63.083 61.300 0.032 0.000 1.357 159 I CB -1.021 37.080 38.000 0.168 0.000 1.051 159 I HN 0.007 nan 8.210 nan 0.000 0.409 160 T N 0.222 114.799 114.554 0.038 0.000 2.777 160 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 160 T C 2.007 176.670 174.700 -0.062 0.000 1.040 160 T CA 1.072 63.198 62.100 0.043 0.000 1.141 160 T CB -0.212 68.811 68.868 0.259 0.000 0.868 160 T HN 0.084 nan 8.240 nan 0.000 0.444 161 V N 1.741 121.525 119.914 -0.215 0.000 2.295 161 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 161 V C 2.886 178.935 176.094 -0.075 0.000 1.049 161 V CA 1.777 63.945 62.300 -0.220 0.000 1.024 161 V CB -1.135 30.397 31.823 -0.485 0.000 0.648 161 V HN 0.524 nan 8.190 nan 0.000 0.447 162 A N -0.637 122.142 122.820 -0.068 0.000 1.930 162 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 162 A C 2.379 179.967 177.584 0.006 0.000 1.175 162 A CA 2.380 54.395 52.037 -0.037 0.000 0.627 162 A CB -0.812 18.156 19.000 -0.053 0.000 0.815 162 A HN 0.507 nan 8.150 nan 0.000 0.443 163 T N -0.050 114.522 114.554 0.030 0.000 2.812 163 T HA -0.112 4.238 4.350 -0.000 0.000 0.264 163 T C 1.953 176.738 174.700 0.142 0.000 1.042 163 T CA 1.551 63.697 62.100 0.077 0.000 1.140 163 T CB -0.368 68.546 68.868 0.077 0.000 0.870 163 T HN 0.653 nan 8.240 nan 0.000 0.445 164 N N 0.852 119.622 118.700 0.117 0.000 2.188 164 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 164 N C 1.989 177.614 175.510 0.190 0.000 1.018 164 N CA 1.399 54.578 53.050 0.216 0.000 0.858 164 N CB -0.330 38.231 38.487 0.123 0.000 0.989 164 N HN 0.203 nan 8.380 nan 0.000 0.426 165 S N -0.192 115.606 115.700 0.163 0.000 2.383 165 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 165 S C 2.000 176.763 174.600 0.272 0.000 1.026 165 S CA 0.902 59.259 58.200 0.262 0.000 0.981 165 S CB -0.314 63.086 63.200 0.333 0.000 0.818 165 S HN 0.405 nan 8.310 nan 0.000 0.472 166 R N 0.393 120.970 120.500 0.129 0.000 2.092 166 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 166 R C 2.016 178.357 176.300 0.068 0.000 1.119 166 R CA 1.397 57.520 56.100 0.038 0.000 0.970 166 R CB -0.163 30.127 30.300 -0.016 0.000 0.864 166 R HN 0.342 nan 8.270 nan 0.000 0.440 167 E N 0.652 120.919 120.200 0.112 0.000 2.150 167 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 167 E C 1.869 178.511 176.600 0.070 0.000 0.985 167 E CA 1.164 57.611 56.400 0.078 0.000 0.814 167 E CB 0.018 29.770 29.700 0.086 0.000 0.752 167 E HN 0.538 nan 8.360 nan 0.000 0.466 168 Q N 0.145 120.017 119.800 0.119 0.000 2.245 168 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 168 Q C 2.100 178.208 176.000 0.180 0.000 0.955 168 Q CA 0.697 56.559 55.803 0.100 0.000 0.870 168 Q CB 0.053 28.836 28.738 0.076 0.000 0.945 168 Q HN 0.080 nan 8.270 nan 0.000 0.461 169 K N 1.311 121.862 120.400 0.251 0.000 2.097 169 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 169 K C 1.662 178.303 176.600 0.070 0.000 1.050 169 K CA 0.986 57.393 56.287 0.201 0.000 0.938 169 K CB 0.213 32.611 32.500 -0.170 0.000 0.718 169 K HN 0.002 nan 8.250 nan 0.000 0.442 170 K N 0.503 120.927 120.400 0.040 0.000 2.057 170 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 170 K C 2.091 178.728 176.600 0.062 0.000 1.049 170 K CA 1.515 57.816 56.287 0.024 0.000 0.931 170 K CB -0.116 32.390 32.500 0.009 0.000 0.714 170 K HN 0.162 nan 8.250 nan 0.000 0.440 171 I N 1.044 121.662 120.570 0.081 0.000 2.179 171 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 171 I C 2.202 178.439 176.117 0.200 0.000 1.088 171 I CA 1.264 62.645 61.300 0.133 0.000 1.357 171 I CB -0.245 37.779 38.000 0.040 0.000 1.051 171 I HN 0.105 nan 8.210 nan 0.000 0.409 172 L N 0.419 121.724 121.223 0.137 0.000 2.046 172 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 172 L C 2.835 179.802 176.870 0.162 0.000 1.077 172 L CA 1.357 56.297 54.840 0.166 0.000 0.747 172 L CB -0.713 41.463 42.059 0.195 0.000 0.896 172 L HN 0.243 nan 8.230 nan 0.000 0.432 173 A N 0.160 123.046 122.820 0.110 0.000 1.883 173 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 173 A C 2.398 180.007 177.584 0.043 0.000 1.186 173 A CA 2.151 54.221 52.037 0.055 0.000 0.624 173 A CB -0.545 18.460 19.000 0.008 0.000 0.822 173 A HN 0.357 nan 8.150 nan 0.000 0.444 174 K N -1.662 118.767 120.400 0.047 0.000 2.020 174 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 174 K C 1.857 178.393 176.600 -0.107 0.000 1.050 174 K CA 2.084 58.349 56.287 -0.037 0.000 0.929 174 K CB -0.399 32.070 32.500 -0.051 0.000 0.714 174 K HN 0.517 nan 8.250 nan 0.000 0.443 175 Y N 0.403 120.693 120.300 -0.017 0.000 2.314 175 Y HA -0.137 4.413 4.550 0.000 0.000 0.293 175 Y C 2.031 177.900 175.900 -0.052 0.000 1.129 175 Y CA 0.780 58.862 58.100 -0.030 0.000 1.201 175 Y CB -0.134 38.324 38.460 -0.003 0.000 0.999 175 Y HN 0.130 nan 8.280 nan 0.000 0.541 176 L N -0.718 120.572 121.223 0.113 0.000 2.141 176 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 176 L C 2.014 178.876 176.870 -0.014 0.000 1.094 176 L CA 1.355 56.226 54.840 0.052 0.000 0.763 176 L CB -0.752 41.351 42.059 0.074 0.000 0.908 176 L HN 0.220 nan 8.230 nan 0.000 0.437 177 L N -0.534 120.672 121.223 -0.028 0.000 2.072 177 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 177 L C 2.368 179.188 176.870 -0.084 0.000 1.079 177 L CA 1.641 56.453 54.840 -0.048 0.000 0.752 177 L CB -0.575 41.457 42.059 -0.045 0.000 0.906 177 L HN 0.364 nan 8.230 nan 0.000 0.436 178 E N -1.187 118.933 120.200 -0.133 0.000 2.106 178 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 178 E C 1.748 178.190 176.600 -0.264 0.000 0.984 178 E CA 1.631 57.931 56.400 -0.167 0.000 0.806 178 E CB -0.248 29.316 29.700 -0.227 0.000 0.750 178 E HN 0.651 nan 8.360 nan 0.000 0.458 179 T N -2.061 112.256 114.554 -0.395 0.000 3.081 179 T HA 0.061 4.411 4.350 -0.000 0.000 0.250 179 T C 1.679 176.176 174.700 -0.337 0.000 1.100 179 T CA 0.743 62.361 62.100 -0.803 0.000 1.038 179 T CB 0.302 68.728 68.868 -0.737 0.000 0.962 179 T HN 0.128 nan 8.240 nan 0.000 0.516 180 S N -0.807 114.811 115.700 -0.138 0.000 2.684 180 S HA 0.485 4.955 4.470 -0.000 0.000 0.268 180 S C 1.748 176.343 174.600 -0.009 0.000 1.075 180 S CA 0.598 58.778 58.200 -0.034 0.000 1.184 180 S CB -0.069 63.121 63.200 -0.017 0.000 1.129 180 S HN 1.205 nan 8.310 nan 0.000 0.630 181 G N 1.935 110.721 108.800 -0.022 0.000 2.162 181 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 181 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 181 G C -0.196 174.698 174.900 -0.009 0.000 0.976 181 G CA 0.579 45.674 45.100 -0.009 0.000 0.655 181 G HN 1.274 nan 8.290 nan 0.000 0.533 182 N N -2.038 116.657 118.700 -0.009 0.000 3.106 182 N HA 0.602 5.342 4.740 -0.000 0.000 0.253 182 N C 0.096 175.606 175.510 -0.000 0.000 1.506 182 N CA -0.913 52.134 53.050 -0.005 0.000 0.876 182 N CB 0.267 38.754 38.487 0.000 0.000 1.452 182 N HN 0.041 nan 8.380 nan 0.000 0.542 183 L N -0.714 120.510 121.223 0.002 0.000 2.910 183 L HA 0.399 4.739 4.340 -0.000 0.000 0.252 183 L C -0.752 176.132 176.870 0.024 0.000 1.195 183 L CA -0.468 54.378 54.840 0.010 0.000 1.003 183 L CB -0.328 41.727 42.059 -0.006 0.000 1.328 183 L HN 0.471 nan 8.230 nan 0.000 0.540 184 D N 1.517 121.932 120.400 0.025 0.000 2.493 184 D HA 0.237 4.877 4.640 -0.000 0.000 0.240 184 D C 1.370 177.709 176.300 0.065 0.000 1.142 184 D CA 1.393 55.416 54.000 0.037 0.000 0.872 184 D CB 1.169 41.983 40.800 0.023 0.000 1.173 184 D HN 0.327 nan 8.370 nan 0.000 0.467 185 G N 1.500 110.365 108.800 0.108 0.000 2.205 185 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.261 185 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.261 185 G C 1.057 176.086 174.900 0.216 0.000 0.980 185 G CA 0.492 45.701 45.100 0.182 0.000 0.632 185 G HN 0.513 nan 8.290 nan 0.000 0.533 186 L N 1.257 122.563 121.223 0.138 0.000 2.021 186 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 186 L C 2.381 179.358 176.870 0.178 0.000 1.074 186 L CA 3.159 58.081 54.840 0.137 0.000 0.760 186 L CB -0.615 41.472 42.059 0.047 0.000 0.889 186 L HN 0.510 nan 8.230 nan 0.000 0.433 187 E N -1.725 118.497 120.200 0.038 0.000 2.455 187 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 187 E C 0.793 177.309 176.600 -0.140 0.000 1.045 187 E CA 1.082 57.410 56.400 -0.120 0.000 0.872 187 E CB -0.146 29.351 29.700 -0.339 0.000 0.792 187 E HN 0.680 nan 8.360 nan 0.000 0.542 188 Y N -0.968 119.471 120.300 0.232 0.000 2.612 188 Y HA 0.163 4.713 4.550 -0.000 0.000 0.250 188 Y C 1.527 177.512 175.900 0.142 0.000 1.175 188 Y CA -0.370 57.842 58.100 0.186 0.000 1.205 188 Y CB 0.691 39.220 38.460 0.115 0.000 1.201 188 Y HN -0.193 nan 8.280 nan 0.000 0.532 189 K N 0.450 121.012 120.400 0.270 0.000 2.305 189 K HA 0.169 4.489 4.320 -0.000 0.000 0.199 189 K C 0.150 176.777 176.600 0.046 0.000 1.047 189 K CA 0.547 56.944 56.287 0.182 0.000 0.976 189 K CB 0.639 33.294 32.500 0.258 0.000 0.765 189 K HN 0.236 nan 8.250 nan 0.000 0.474 190 L N 1.530 122.580 121.223 -0.288 0.000 2.388 190 L HA 0.224 4.564 4.340 -0.000 0.000 0.267 190 L C -1.288 175.377 176.870 -0.341 0.000 0.995 190 L CA -0.591 53.961 54.840 -0.481 0.000 0.864 190 L CB 1.012 42.452 42.059 -1.033 0.000 1.216 190 L HN 0.098 nan 8.230 nan 0.000 0.430 191 H N 2.883 121.766 119.070 -0.312 0.000 2.527 191 H HA 0.147 4.703 4.556 -0.000 0.000 0.321 191 H C -0.349 174.748 175.328 -0.384 0.000 1.087 191 H CA -0.200 55.706 56.048 -0.237 0.000 1.337 191 H CB 1.235 30.847 29.762 -0.251 0.000 1.440 191 H HN 0.460 nan 8.280 nan 0.000 0.490 192 D N 4.804 125.038 120.400 -0.277 0.000 2.346 192 D HA -0.056 4.584 4.640 -0.000 0.000 0.260 192 D C -0.213 176.245 176.300 0.263 0.000 1.252 192 D CA 0.470 54.350 54.000 -0.200 0.000 0.895 192 D CB -0.010 40.679 40.800 -0.185 0.000 1.097 192 D HN 0.637 nan 8.370 nan 0.000 0.489 193 F N 1.399 121.358 119.950 0.014 0.000 2.683 193 F HA 0.210 4.737 4.527 0.000 0.000 0.306 193 F C 2.013 177.851 175.800 0.063 0.000 1.102 193 F CA -0.702 57.343 58.000 0.075 0.000 1.244 193 F CB 1.232 40.269 39.000 0.062 0.000 1.029 193 F HN 0.478 nan 8.300 nan 0.000 0.545 194 G N -0.634 108.286 108.800 0.201 0.000 3.124 194 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.212 194 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.212 194 G C 1.044 176.057 174.900 0.190 0.000 1.181 194 G CA 0.018 45.209 45.100 0.151 0.000 0.803 194 G HN 0.271 nan 8.290 nan 0.000 0.529 195 Y N 2.507 122.846 120.300 0.064 0.000 2.128 195 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 195 Y C 2.831 178.750 175.900 0.031 0.000 1.154 195 Y CA 1.797 59.922 58.100 0.041 0.000 1.149 195 Y CB -0.155 38.325 38.460 0.033 0.000 0.976 195 Y HN 0.430 nan 8.280 nan 0.000 0.505 196 R N -0.984 119.631 120.500 0.191 0.000 2.153 196 R HA 0.038 4.378 4.340 -0.000 0.000 0.218 196 R C 2.211 178.561 176.300 0.084 0.000 1.072 196 R CA 1.308 57.451 56.100 0.071 0.000 0.990 196 R CB -1.044 29.265 30.300 0.015 0.000 0.889 196 R HN 0.311 nan 8.270 nan 0.000 0.452 197 G N 1.900 110.764 108.800 0.106 0.000 2.712 197 G HA2 0.068 4.028 3.960 -0.000 0.000 0.212 197 G HA3 0.068 4.028 3.960 -0.000 0.000 0.212 197 G C 0.767 175.718 174.900 0.084 0.000 1.142 197 G CA 0.407 45.559 45.100 0.087 0.000 0.789 197 G HN 0.237 nan 8.290 nan 0.000 0.535 198 V N -1.117 118.857 119.914 0.101 0.000 3.214 198 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 198 V C 1.498 177.620 176.094 0.048 0.000 1.078 198 V CA 0.315 62.658 62.300 0.073 0.000 1.077 198 V CB 1.258 33.126 31.823 0.074 0.000 1.121 198 V HN 0.164 nan 8.190 nan 0.000 0.468 199 S N -0.034 115.671 115.700 0.007 0.000 2.489 199 S HA 0.161 4.631 4.470 -0.000 0.000 0.228 199 S C 0.765 175.370 174.600 0.008 0.000 0.995 199 S CA 0.375 58.576 58.200 0.001 0.000 0.934 199 S CB -0.751 62.437 63.200 -0.020 0.000 0.771 199 S HN 1.823 nan 8.310 nan 0.000 0.522 200 S N -1.072 114.637 115.700 0.016 0.000 2.615 200 S HA 0.462 4.932 4.470 -0.000 0.000 0.268 200 S C 0.101 174.747 174.600 0.076 0.000 1.146 200 S CA -0.661 57.560 58.200 0.037 0.000 0.818 200 S CB 1.194 64.404 63.200 0.016 0.000 1.111 200 S HN -0.055 nan 8.310 nan 0.000 0.465 201 Q N 0.936 120.794 119.800 0.097 0.000 2.050 201 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 201 Q C 1.868 177.919 176.000 0.086 0.000 0.980 201 Q CA 2.516 58.406 55.803 0.144 0.000 0.840 201 Q CB -0.431 28.379 28.738 0.120 0.000 0.898 201 Q HN 0.847 nan 8.270 nan 0.000 0.424 202 E N -1.460 118.775 120.200 0.059 0.000 2.077 202 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 202 E C 1.630 178.220 176.600 -0.016 0.000 0.989 202 E CA 1.572 57.997 56.400 0.042 0.000 0.800 202 E CB -0.031 29.717 29.700 0.080 0.000 0.746 202 E HN 0.364 nan 8.360 nan 0.000 0.452 203 T N 0.620 115.148 114.554 -0.044 0.000 2.759 203 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 203 T C 1.751 176.445 174.700 -0.009 0.000 1.042 203 T CA 1.154 63.188 62.100 -0.110 0.000 1.140 203 T CB -0.283 68.445 68.868 -0.234 0.000 0.864 203 T HN 0.349 nan 8.240 nan 0.000 0.455 204 A N 1.345 124.155 122.820 -0.017 0.000 1.883 204 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 204 A C 2.626 180.109 177.584 -0.167 0.000 1.186 204 A CA 1.996 53.976 52.037 -0.095 0.000 0.624 204 A CB -1.397 17.500 19.000 -0.172 0.000 0.822 204 A HN 0.514 nan 8.150 nan 0.000 0.444 205 G N -0.120 108.590 108.800 -0.151 0.000 2.421 205 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 205 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 205 G C 1.547 176.348 174.900 -0.166 0.000 1.171 205 G CA 1.141 46.144 45.100 -0.162 0.000 0.775 205 G HN 0.481 nan 8.290 nan 0.000 0.543 206 I N 1.208 121.671 120.570 -0.179 0.000 2.179 206 I HA -0.082 4.088 4.170 -0.000 0.000 0.242 206 I C 3.104 179.182 176.117 -0.064 0.000 1.088 206 I CA 1.106 62.280 61.300 -0.209 0.000 1.357 206 I CB -0.532 37.357 38.000 -0.186 0.000 1.051 206 I HN 0.247 nan 8.210 nan 0.000 0.409 207 G N 0.433 109.278 108.800 0.075 0.000 2.421 207 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 207 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 207 G C 1.878 176.743 174.900 -0.058 0.000 1.171 207 G CA 0.840 45.912 45.100 -0.046 0.000 0.775 207 G HN 0.487 nan 8.290 nan 0.000 0.543 208 A N 1.300 124.084 122.820 -0.060 0.000 1.908 208 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 208 A C 2.766 180.325 177.584 -0.042 0.000 1.181 208 A CA 2.855 54.855 52.037 -0.063 0.000 0.627 208 A CB -0.892 18.021 19.000 -0.144 0.000 0.818 208 A HN 0.840 nan 8.150 nan 0.000 0.445 209 S N 0.062 115.716 115.700 -0.076 0.000 2.399 209 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 209 S C 2.054 176.630 174.600 -0.040 0.000 1.022 209 S CA 1.404 59.545 58.200 -0.098 0.000 0.983 209 S CB -0.596 62.564 63.200 -0.066 0.000 0.803 209 S HN 0.923 nan 8.310 nan 0.000 0.480 210 A N 1.512 124.341 122.820 0.015 0.000 1.898 210 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 210 A C 2.106 179.632 177.584 -0.097 0.000 1.181 210 A CA 1.770 53.752 52.037 -0.091 0.000 0.620 210 A CB -1.384 17.608 19.000 -0.013 0.000 0.819 210 A HN 0.785 nan 8.150 nan 0.000 0.442 211 H N 0.030 119.043 119.070 -0.095 0.000 2.387 211 H HA 0.046 4.602 4.556 0.000 0.000 0.299 211 H C 1.474 176.818 175.328 0.026 0.000 1.090 211 H CA 1.629 57.661 56.048 -0.025 0.000 1.332 211 H CB -0.332 29.407 29.762 -0.038 0.000 1.386 211 H HN 0.355 nan 8.280 nan 0.000 0.516 212 L N -0.121 121.064 121.223 -0.063 0.000 2.633 212 L HA -0.068 4.272 4.340 -0.000 0.000 0.235 212 L C 1.930 178.794 176.870 -0.011 0.000 1.163 212 L CA 0.095 54.913 54.840 -0.037 0.000 0.859 212 L CB -0.044 42.033 42.059 0.030 0.000 0.973 212 L HN 0.221 nan 8.230 nan 0.000 0.451 213 V N 0.056 119.852 119.914 -0.197 0.000 2.809 213 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 213 V C 1.723 177.558 176.094 -0.432 0.000 1.080 213 V CA 1.432 63.427 62.300 -0.508 0.000 1.102 213 V CB -0.380 31.076 31.823 -0.612 0.000 0.705 213 V HN 0.600 nan 8.190 nan 0.000 0.475 214 N N -1.852 116.614 118.700 -0.390 0.000 2.445 214 N HA 0.201 4.941 4.740 -0.000 0.000 0.204 214 N C 0.150 175.172 175.510 -0.814 0.000 1.098 214 N CA 0.321 53.032 53.050 -0.565 0.000 0.859 214 N CB 0.808 38.969 38.487 -0.544 0.000 1.249 214 N HN 0.395 nan 8.380 nan 0.000 0.462 215 F N 0.423 120.104 119.950 -0.448 0.000 2.679 215 F HA 0.458 4.985 4.527 -0.000 0.000 0.341 215 F C 1.182 176.768 175.800 -0.356 0.000 1.095 215 F CA -0.771 56.970 58.000 -0.431 0.000 1.004 215 F CB 1.756 40.444 39.000 -0.519 0.000 1.388 215 F HN -0.406 nan 8.300 nan 0.000 0.505 216 K N -0.242 120.069 120.400 -0.147 0.000 2.477 216 K HA 0.265 4.585 4.320 -0.000 0.000 0.208 216 K C 0.215 176.821 176.600 0.010 0.000 1.117 216 K CA -0.097 56.121 56.287 -0.114 0.000 1.039 216 K CB 1.416 33.792 32.500 -0.207 0.000 0.937 216 K HN 0.676 nan 8.250 nan 0.000 0.570 217 G N 0.974 109.757 108.800 -0.029 0.000 2.319 217 G HA2 0.386 4.346 3.960 -0.000 0.000 0.308 217 G HA3 0.386 4.346 3.960 -0.000 0.000 0.308 217 G C -0.853 173.716 174.900 -0.550 0.000 1.117 217 G CA 0.030 45.108 45.100 -0.037 0.000 0.903 217 G HN -0.071 nan 8.290 nan 0.000 0.436 218 T N 0.724 114.877 114.554 -0.667 0.000 2.942 218 T HA 0.369 4.719 4.350 -0.000 0.000 0.327 218 T C -0.885 173.792 174.700 -0.038 0.000 1.360 218 T CA -0.496 61.336 62.100 -0.446 0.000 1.055 218 T CB 1.945 70.747 68.868 -0.111 0.000 1.261 218 T HN 0.277 nan 8.240 nan 0.000 0.485 219 D N 1.059 121.575 120.400 0.193 0.000 2.469 219 D HA 0.244 4.884 4.640 -0.000 0.000 0.213 219 D C 0.151 176.568 176.300 0.196 0.000 1.135 219 D CA 0.169 54.343 54.000 0.289 0.000 0.834 219 D CB 0.711 41.729 40.800 0.363 0.000 1.009 219 D HN 0.449 nan 8.370 nan 0.000 0.507 220 T N 0.877 115.476 114.554 0.075 0.000 3.477 220 T HA 0.098 4.448 4.350 -0.000 0.000 0.347 220 T C 1.738 176.319 174.700 -0.198 0.000 1.567 220 T CA -0.171 61.859 62.100 -0.117 0.000 1.169 220 T CB 0.819 69.555 68.868 -0.219 0.000 1.196 220 T HN -0.162 nan 8.240 nan 0.000 0.768 221 V N 1.863 121.757 119.914 -0.033 0.000 2.428 221 V HA -0.311 3.809 4.120 -0.000 0.000 0.255 221 V C 2.809 178.847 176.094 -0.094 0.000 1.080 221 V CA 2.250 64.545 62.300 -0.009 0.000 1.083 221 V CB -1.109 30.786 31.823 0.119 0.000 0.665 221 V HN 0.877 nan 8.190 nan 0.000 0.461 222 A N 0.665 123.345 122.820 -0.233 0.000 1.986 222 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 222 A C 2.434 179.921 177.584 -0.160 0.000 1.171 222 A CA 2.069 53.991 52.037 -0.193 0.000 0.640 222 A CB -1.187 17.614 19.000 -0.331 0.000 0.811 222 A HN 0.576 nan 8.150 nan 0.000 0.451 223 G N -0.531 108.150 108.800 -0.197 0.000 2.422 223 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 223 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 223 G C 1.346 176.147 174.900 -0.165 0.000 1.146 223 G CA 1.135 46.134 45.100 -0.168 0.000 0.769 223 G HN 0.361 nan 8.290 nan 0.000 0.547 224 L N 1.420 122.554 121.223 -0.148 0.000 1.989 224 L HA 0.034 4.374 4.340 -0.000 0.000 0.211 224 L C 3.294 180.099 176.870 -0.108 0.000 1.071 224 L CA 1.896 56.648 54.840 -0.148 0.000 0.749 224 L CB -1.065 40.921 42.059 -0.121 0.000 0.890 224 L HN 0.276 nan 8.230 nan 0.000 0.431 225 A N -1.095 121.686 122.820 -0.065 0.000 1.972 225 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 225 A C 2.380 179.966 177.584 0.004 0.000 1.169 225 A CA 1.819 53.837 52.037 -0.032 0.000 0.635 225 A CB -0.835 18.159 19.000 -0.009 0.000 0.810 225 A HN 0.426 nan 8.150 nan 0.000 0.446 226 L N -0.654 120.586 121.223 0.028 0.000 2.056 226 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 226 L C 2.355 179.341 176.870 0.193 0.000 1.078 226 L CA 1.468 56.405 54.840 0.162 0.000 0.749 226 L CB -0.220 41.869 42.059 0.049 0.000 0.901 226 L HN 0.417 nan 8.230 nan 0.000 0.433 227 I N -0.075 120.495 120.570 0.000 0.000 2.226 227 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 227 I C 2.618 178.748 176.117 0.022 0.000 1.100 227 I CA 1.442 62.706 61.300 -0.059 0.000 1.374 227 I CB -0.337 37.342 38.000 -0.536 0.000 1.057 227 I HN 0.281 nan 8.210 nan 0.000 0.413 228 K N 1.377 121.755 120.400 -0.038 0.000 2.097 228 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 228 K C 2.211 178.777 176.600 -0.058 0.000 1.049 228 K CA 1.543 57.809 56.287 -0.035 0.000 0.933 228 K CB 0.009 32.477 32.500 -0.054 0.000 0.717 228 K HN 0.147 nan 8.250 nan 0.000 0.442 229 K N -0.715 119.622 120.400 -0.105 0.000 2.062 229 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 229 K C 1.250 177.570 176.600 -0.466 0.000 1.051 229 K CA 1.321 57.416 56.287 -0.321 0.000 0.941 229 K CB 0.070 32.291 32.500 -0.466 0.000 0.719 229 K HN 0.184 nan 8.250 nan 0.000 0.440 230 Y N -2.233 118.036 120.300 -0.052 0.000 2.442 230 Y HA 0.130 4.680 4.550 -0.000 0.000 0.250 230 Y C 0.843 176.521 175.900 -0.369 0.000 1.113 230 Y CA -0.096 57.873 58.100 -0.218 0.000 1.273 230 Y CB 0.601 38.898 38.460 -0.272 0.000 1.138 230 Y HN 0.037 nan 8.280 nan 0.000 0.522 231 Y N -0.890 119.523 120.300 0.188 0.000 2.846 231 Y HA 0.512 5.062 4.550 0.000 0.000 0.258 231 Y C 1.298 177.292 175.900 0.156 0.000 1.077 231 Y CA 0.165 58.395 58.100 0.216 0.000 1.270 231 Y CB 0.436 39.099 38.460 0.338 0.000 1.476 231 Y HN -0.132 nan 8.280 nan 0.000 0.460 232 G N 1.003 109.962 108.800 0.265 0.000 2.721 232 G HA2 0.150 4.110 3.960 -0.000 0.000 0.686 232 G HA3 0.150 4.110 3.960 -0.000 0.000 0.686 232 G C -0.510 174.508 174.900 0.197 0.000 1.236 232 G CA -0.337 44.860 45.100 0.161 0.000 0.786 232 G HN 0.572 nan 8.290 nan 0.000 0.616 233 T N -1.318 113.313 114.554 0.128 0.000 2.900 233 T HA 0.702 5.052 4.350 -0.000 0.000 0.303 233 T C 1.086 175.841 174.700 0.091 0.000 1.142 233 T CA -0.158 62.024 62.100 0.137 0.000 1.007 233 T CB 2.089 71.042 68.868 0.141 0.000 1.156 233 T HN 0.665 nan 8.240 nan 0.000 0.490 234 K N 0.457 120.911 120.400 0.089 0.000 2.057 234 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 234 K C 0.314 176.954 176.600 0.068 0.000 1.049 234 K CA 1.085 57.413 56.287 0.069 0.000 0.931 234 K CB -0.150 32.388 32.500 0.064 0.000 0.714 234 K HN 0.647 nan 8.250 nan 0.000 0.440 235 D N 0.284 120.734 120.400 0.084 0.000 2.360 235 D HA 0.011 4.652 4.640 -0.000 0.000 0.242 235 D C -1.718 174.622 176.300 0.066 0.000 1.184 235 D CA -1.294 52.762 54.000 0.095 0.000 0.930 235 D CB 0.381 41.268 40.800 0.146 0.000 1.161 235 D HN -0.143 nan 8.370 nan 0.000 0.447 236 P HA -0.100 nan 4.420 nan 0.000 0.216 236 P C 0.118 177.407 177.300 -0.018 0.000 1.153 236 P CA 1.108 64.225 63.100 0.029 0.000 0.848 236 P CB 0.309 32.036 31.700 0.046 0.000 0.787 237 V N -7.110 112.769 119.914 -0.059 0.000 2.925 237 V HA 0.483 4.603 4.120 -0.000 0.000 0.311 237 V C -2.355 173.599 176.094 -0.232 0.000 1.104 237 V CA -2.138 60.053 62.300 -0.183 0.000 0.954 237 V CB 1.647 33.289 31.823 -0.301 0.000 1.022 237 V HN -0.252 nan 8.190 nan 0.000 0.427 238 P HA 0.258 nan 4.420 nan 0.000 0.224 238 P C 0.599 177.792 177.300 -0.179 0.000 1.157 238 P CA 1.259 64.273 63.100 -0.143 0.000 0.799 238 P CB 0.231 31.783 31.700 -0.247 0.000 0.809 239 G N -2.098 106.473 108.800 -0.382 0.000 2.672 239 G HA2 0.609 4.569 3.960 -0.000 0.000 0.292 239 G HA3 0.609 4.569 3.960 -0.000 0.000 0.292 239 G C -1.918 172.657 174.900 -0.541 0.000 1.375 239 G CA -0.417 44.510 45.100 -0.289 0.000 0.890 239 G HN -0.150 nan 8.290 nan 0.000 0.476 240 Y N -0.871 119.503 120.300 0.123 0.000 2.669 240 Y HA 0.850 5.400 4.550 0.000 0.000 0.335 240 Y C 0.483 176.513 175.900 0.216 0.000 1.116 240 Y CA -0.937 57.261 58.100 0.164 0.000 1.081 240 Y CB 2.307 40.892 38.460 0.210 0.000 1.297 240 Y HN 0.753 nan 8.280 nan 0.000 0.484 241 S N -0.174 115.745 115.700 0.364 0.000 2.688 241 S HA 0.869 5.339 4.470 -0.000 0.000 0.275 241 S C -1.813 172.892 174.600 0.175 0.000 1.175 241 S CA -0.365 58.038 58.200 0.339 0.000 0.818 241 S CB 1.170 64.547 63.200 0.295 0.000 1.157 241 S HN 1.052 nan 8.310 nan 0.000 0.482 242 V N -0.296 119.662 119.914 0.073 0.000 3.130 242 V HA 0.813 4.933 4.120 -0.000 0.000 0.310 242 V C -2.997 173.014 176.094 -0.138 0.000 1.158 242 V CA -2.352 59.925 62.300 -0.039 0.000 1.029 242 V CB 0.487 32.264 31.823 -0.076 0.000 1.057 242 V HN 0.726 nan 8.190 nan 0.000 0.436 243 P HA 0.565 nan 4.420 nan 0.000 0.266 243 P C -0.538 176.519 177.300 -0.406 0.000 1.195 243 P CA 0.546 63.347 63.100 -0.498 0.000 0.768 243 P CB 0.645 31.691 31.700 -1.091 0.000 0.838 244 A N 1.522 124.134 122.820 -0.346 0.000 2.589 244 A HA 0.710 5.030 4.320 -0.000 0.000 0.296 244 A C -1.032 176.445 177.584 -0.180 0.000 1.062 244 A CA -0.438 51.451 52.037 -0.247 0.000 0.686 244 A CB 1.273 20.145 19.000 -0.213 0.000 1.282 244 A HN 0.536 nan 8.150 nan 0.000 0.404 245 A N 0.753 123.492 122.820 -0.135 0.000 2.264 245 A HA 0.780 5.100 4.320 -0.000 0.000 0.304 245 A C 0.098 177.616 177.584 -0.110 0.000 1.100 245 A CA 0.180 52.178 52.037 -0.065 0.000 0.839 245 A CB 0.386 19.380 19.000 -0.011 0.000 1.121 245 A HN 1.144 nan 8.150 nan 0.000 0.496 246 E N -0.720 119.440 120.200 -0.068 0.000 2.378 246 E HA 0.464 4.814 4.350 -0.000 0.000 0.265 246 E C -0.272 176.285 176.600 -0.071 0.000 0.932 246 E CA -0.720 55.624 56.400 -0.093 0.000 0.795 246 E CB 0.600 30.280 29.700 -0.034 0.000 1.296 246 E HN 0.627 nan 8.360 nan 0.000 0.438 247 H N 0.197 119.265 119.070 -0.004 0.000 2.387 247 H HA -0.159 4.397 4.556 0.000 0.000 0.299 247 H C 2.215 177.566 175.328 0.039 0.000 1.099 247 H CA 2.661 58.711 56.048 0.003 0.000 1.315 247 H CB 0.080 29.822 29.762 -0.032 0.000 1.380 247 H HN 0.623 nan 8.280 nan 0.000 0.513 248 S N -0.091 115.699 115.700 0.150 0.000 2.399 248 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 248 S C 2.184 176.870 174.600 0.143 0.000 1.022 248 S CA 1.433 59.705 58.200 0.121 0.000 0.983 248 S CB -0.722 62.525 63.200 0.078 0.000 0.803 248 S HN 0.622 nan 8.310 nan 0.000 0.480 249 T N -0.203 114.441 114.554 0.151 0.000 2.995 249 T HA 0.176 4.526 4.350 -0.000 0.000 0.269 249 T C 1.686 176.588 174.700 0.338 0.000 1.091 249 T CA 0.514 62.750 62.100 0.226 0.000 1.128 249 T CB -0.362 68.632 68.868 0.210 0.000 0.891 249 T HN 0.315 nan 8.240 nan 0.000 0.492 250 I N 2.902 123.624 120.570 0.253 0.000 2.364 250 I HA -0.015 4.155 4.170 -0.000 0.000 0.241 250 I C 3.027 179.329 176.117 0.309 0.000 1.082 250 I CA 1.749 63.205 61.300 0.261 0.000 1.401 250 I CB -1.789 36.321 38.000 0.183 0.000 1.126 250 I HN 0.464 nan 8.210 nan 0.000 0.429 251 T N 0.022 114.724 114.554 0.245 0.000 2.881 251 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 251 T C 1.983 176.826 174.700 0.238 0.000 1.068 251 T CA 1.052 63.313 62.100 0.268 0.000 1.131 251 T CB -0.513 68.475 68.868 0.200 0.000 0.871 251 T HN 0.244 nan 8.240 nan 0.000 0.479 252 A N 0.598 123.538 122.820 0.200 0.000 2.024 252 A HA -0.004 4.316 4.320 -0.000 0.000 0.220 252 A C 1.819 179.404 177.584 0.002 0.000 1.164 252 A CA 1.036 53.115 52.037 0.069 0.000 0.643 252 A CB -1.291 17.709 19.000 0.000 0.000 0.806 252 A HN 0.760 nan 8.150 nan 0.000 0.451 253 W N -0.552 120.759 121.300 0.018 0.000 2.961 253 W HA 0.372 5.032 4.660 0.000 0.000 0.240 253 W C 1.241 177.763 176.519 0.006 0.000 1.305 253 W CA 1.252 58.586 57.345 -0.019 0.000 1.465 253 W CB -0.380 29.083 29.460 0.006 0.000 1.135 253 W HN 0.655 nan 8.180 nan 0.000 0.688 254 G N 0.638 109.569 108.800 0.219 0.000 2.788 254 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.686 254 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.686 254 G C 0.733 175.746 174.900 0.187 0.000 1.147 254 G CA -0.348 44.861 45.100 0.181 0.000 0.755 254 G HN 0.281 nan 8.290 nan 0.000 0.634 255 K N -0.121 120.318 120.400 0.065 0.000 2.218 255 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 255 K C 0.873 177.267 176.600 -0.344 0.000 1.046 255 K CA 1.942 58.117 56.287 -0.186 0.000 0.933 255 K CB 0.118 32.479 32.500 -0.232 0.000 0.728 255 K HN 0.361 nan 8.250 nan 0.000 0.454 256 D N 0.303 120.610 120.400 -0.157 0.000 2.339 256 D HA 0.012 4.652 4.640 -0.000 0.000 0.217 256 D C -0.009 176.071 176.300 -0.368 0.000 1.050 256 D CA 0.481 54.319 54.000 -0.270 0.000 0.856 256 D CB 0.203 40.848 40.800 -0.258 0.000 0.922 256 D HN 0.436 nan 8.370 nan 0.000 0.518 257 H N 0.015 119.050 119.070 -0.060 0.000 2.481 257 H HA 0.152 4.708 4.556 -0.000 0.000 0.273 257 H C 1.366 176.626 175.328 -0.114 0.000 1.145 257 H CA -0.180 55.849 56.048 -0.032 0.000 0.964 257 H CB 0.617 30.454 29.762 0.124 0.000 1.722 257 H HN 0.050 nan 8.280 nan 0.000 0.573 258 E N 1.468 121.586 120.200 -0.137 0.000 2.077 258 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 258 E C 2.127 178.275 176.600 -0.752 0.000 0.989 258 E CA 0.978 57.168 56.400 -0.350 0.000 0.800 258 E CB 0.280 29.798 29.700 -0.303 0.000 0.746 258 E HN 0.377 nan 8.360 nan 0.000 0.452 259 K N 0.425 120.482 120.400 -0.572 0.000 2.032 259 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 259 K C 1.539 177.927 176.600 -0.353 0.000 1.048 259 K CA 1.887 57.868 56.287 -0.510 0.000 0.927 259 K CB -0.095 32.225 32.500 -0.298 0.000 0.712 259 K HN 0.116 nan 8.250 nan 0.000 0.441 260 D N 0.482 120.718 120.400 -0.273 0.000 2.144 260 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 260 D C 1.801 177.655 176.300 -0.743 0.000 0.984 260 D CA 1.295 55.106 54.000 -0.315 0.000 0.834 260 D CB -0.168 40.587 40.800 -0.075 0.000 0.955 260 D HN 0.380 nan 8.370 nan 0.000 0.465 261 A N 0.751 123.040 122.820 -0.885 0.000 1.877 261 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 261 A C 2.008 179.418 177.584 -0.290 0.000 1.186 261 A CA 0.876 52.224 52.037 -1.148 0.000 0.620 261 A CB -0.812 17.802 19.000 -0.644 0.000 0.822 261 A HN 0.065 nan 8.150 nan 0.000 0.443 262 F N 0.132 119.877 119.950 -0.342 0.000 2.069 262 F HA -0.164 4.363 4.527 0.000 0.000 0.298 262 F C 2.399 178.153 175.800 -0.076 0.000 1.113 262 F CA 1.365 59.250 58.000 -0.191 0.000 1.214 262 F CB -1.124 37.546 39.000 -0.551 0.000 0.978 262 F HN 0.495 nan 8.300 nan 0.000 0.474 263 E N -0.988 119.240 120.200 0.047 0.000 2.077 263 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 263 E C 2.437 179.052 176.600 0.024 0.000 0.989 263 E CA 1.197 57.616 56.400 0.032 0.000 0.800 263 E CB -0.410 29.284 29.700 -0.011 0.000 0.746 263 E HN 0.451 nan 8.360 nan 0.000 0.452 264 H N 0.753 119.727 119.070 -0.159 0.000 2.353 264 H HA -0.120 4.436 4.556 0.000 0.000 0.300 264 H C 2.139 177.485 175.328 0.030 0.000 1.090 264 H CA 1.873 57.871 56.048 -0.083 0.000 1.327 264 H CB -0.073 29.578 29.762 -0.184 0.000 1.383 264 H HN 0.254 nan 8.280 nan 0.000 0.508 265 I N 0.976 121.646 120.570 0.167 0.000 2.163 265 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 265 I C 2.925 179.158 176.117 0.193 0.000 1.081 265 I CA 1.321 62.760 61.300 0.231 0.000 1.353 265 I CB -0.355 37.814 38.000 0.281 0.000 1.054 265 I HN 0.172 nan 8.210 nan 0.000 0.407 266 V N -1.936 118.072 119.914 0.157 0.000 2.490 266 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 266 V C 2.213 178.338 176.094 0.052 0.000 1.061 266 V CA 2.260 64.630 62.300 0.118 0.000 1.064 266 V CB -1.486 30.407 31.823 0.116 0.000 0.670 266 V HN 0.370 nan 8.190 nan 0.000 0.461 267 T N -0.383 114.165 114.554 -0.010 0.000 2.904 267 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 267 T C 1.985 176.587 174.700 -0.162 0.000 1.059 267 T CA 1.467 63.523 62.100 -0.073 0.000 1.137 267 T CB -0.286 68.533 68.868 -0.082 0.000 0.879 267 T HN 0.474 nan 8.240 nan 0.000 0.467 268 Q N 0.029 119.662 119.800 -0.277 0.000 2.224 268 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 268 Q C 0.016 175.606 176.000 -0.684 0.000 0.970 268 Q CA 0.937 56.419 55.803 -0.535 0.000 0.865 268 Q CB -0.029 28.285 28.738 -0.705 0.000 0.922 268 Q HN 0.573 nan 8.270 nan 0.000 0.445 269 F N 0.008 119.923 119.950 -0.058 0.000 2.542 269 F HA 0.170 4.697 4.527 -0.000 0.000 0.323 269 F C 1.041 176.811 175.800 -0.049 0.000 1.411 269 F CA -0.420 57.554 58.000 -0.043 0.000 1.124 269 F CB 0.618 39.596 39.000 -0.036 0.000 1.331 269 F HN -0.117 nan 8.300 nan 0.000 0.560 270 S N -1.996 113.730 115.700 0.044 0.000 2.489 270 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 270 S C 1.221 175.830 174.600 0.014 0.000 0.995 270 S CA 0.641 58.850 58.200 0.014 0.000 0.934 270 S CB -0.003 63.186 63.200 -0.019 0.000 0.771 270 S HN 0.254 nan 8.310 nan 0.000 0.522 271 S N 0.747 116.466 115.700 0.032 0.000 2.749 271 S HA 0.449 4.919 4.470 -0.000 0.000 0.246 271 S C -0.009 174.608 174.600 0.029 0.000 1.023 271 S CA -0.172 58.040 58.200 0.021 0.000 1.012 271 S CB 0.844 64.052 63.200 0.014 0.000 0.942 271 S HN 0.589 nan 8.310 nan 0.000 0.531 272 V N -1.673 118.271 119.914 0.049 0.000 3.040 272 V HA 0.731 4.851 4.120 -0.000 0.000 0.312 272 V C -3.375 172.711 176.094 -0.013 0.000 1.115 272 V CA -3.192 59.124 62.300 0.028 0.000 0.998 272 V CB 1.234 33.098 31.823 0.069 0.000 1.042 272 V HN -0.210 nan 8.190 nan 0.000 0.433 273 P HA 0.321 nan 4.420 nan 0.000 0.266 273 P C -0.934 176.288 177.300 -0.131 0.000 1.195 273 P CA 0.196 63.236 63.100 -0.099 0.000 0.768 273 P CB 0.938 32.570 31.700 -0.114 0.000 0.838 274 V N 2.701 122.521 119.914 -0.158 0.000 2.655 274 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 274 V C -0.672 175.287 176.094 -0.226 0.000 1.082 274 V CA -0.459 61.719 62.300 -0.203 0.000 0.899 274 V CB 1.852 33.593 31.823 -0.137 0.000 1.014 274 V HN 0.536 nan 8.190 nan 0.000 0.429 275 S N 5.762 121.324 115.700 -0.230 0.000 2.499 275 S HA 0.729 5.199 4.470 -0.000 0.000 0.279 275 S C -0.776 173.696 174.600 -0.214 0.000 1.219 275 S CA -0.381 57.684 58.200 -0.225 0.000 1.062 275 S CB 1.165 64.252 63.200 -0.189 0.000 0.978 275 S HN 0.854 nan 8.310 nan 0.000 0.489 276 V N 6.047 125.817 119.914 -0.239 0.000 2.380 276 V HA 0.350 4.470 4.120 -0.000 0.000 0.286 276 V C 0.191 176.172 176.094 -0.189 0.000 1.015 276 V CA -0.962 61.217 62.300 -0.202 0.000 0.834 276 V CB 1.307 33.001 31.823 -0.216 0.000 1.009 276 V HN 0.787 nan 8.190 nan 0.000 0.428 277 V N 5.083 124.896 119.914 -0.168 0.000 2.557 277 V HA 0.083 4.203 4.120 -0.000 0.000 0.301 277 V C 1.091 177.150 176.094 -0.059 0.000 1.026 277 V CA 1.191 63.381 62.300 -0.183 0.000 1.137 277 V CB 1.511 33.091 31.823 -0.404 0.000 0.917 277 V HN 1.006 nan 8.190 nan 0.000 0.484 278 S N 4.025 119.736 115.700 0.018 0.000 2.663 278 S HA 0.175 4.645 4.470 -0.000 0.000 0.243 278 S C 0.526 175.216 174.600 0.151 0.000 1.009 278 S CA 0.118 58.447 58.200 0.216 0.000 0.988 278 S CB -0.055 63.322 63.200 0.294 0.000 0.896 278 S HN 1.018 nan 8.310 nan 0.000 0.502 279 D N 0.120 120.559 120.400 0.065 0.000 2.501 279 D HA 0.216 4.856 4.640 -0.000 0.000 0.226 279 D C 0.853 177.152 176.300 -0.001 0.000 1.198 279 D CA -0.095 53.923 54.000 0.029 0.000 0.830 279 D CB -0.173 40.641 40.800 0.022 0.000 1.014 279 D HN -0.023 nan 8.370 nan 0.000 0.496 280 S N -0.214 115.434 115.700 -0.086 0.000 2.392 280 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 280 S C 0.771 174.949 174.600 -0.703 0.000 1.041 280 S CA 1.451 59.399 58.200 -0.420 0.000 1.026 280 S CB -0.206 62.519 63.200 -0.793 0.000 0.845 280 S HN 0.571 nan 8.310 nan 0.000 0.465 281 Y N -1.199 119.133 120.300 0.054 0.000 2.784 281 Y HA 0.401 4.951 4.550 -0.000 0.000 0.267 281 Y C 0.269 176.178 175.900 0.015 0.000 1.117 281 Y CA -0.520 57.592 58.100 0.020 0.000 1.231 281 Y CB 0.879 39.335 38.460 -0.007 0.000 1.441 281 Y HN 0.035 nan 8.280 nan 0.000 0.469 282 D N 0.299 120.782 120.400 0.138 0.000 2.318 282 D HA 0.101 4.741 4.640 -0.000 0.000 0.233 282 D C 0.193 176.497 176.300 0.008 0.000 1.348 282 D CA -0.091 53.954 54.000 0.075 0.000 0.983 282 D CB 1.379 42.248 40.800 0.114 0.000 1.416 282 D HN 0.177 nan 8.370 nan 0.000 0.558 283 I N 3.852 124.340 120.570 -0.137 0.000 2.248 283 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 283 I C 1.169 177.142 176.117 -0.240 0.000 1.107 283 I CA 1.801 62.963 61.300 -0.231 0.000 1.373 283 I CB -0.247 37.492 38.000 -0.434 0.000 1.055 283 I HN 0.439 nan 8.210 nan 0.000 0.418 284 Y N -0.258 120.106 120.300 0.106 0.000 2.220 284 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 284 Y C 2.507 178.472 175.900 0.109 0.000 1.129 284 Y CA 1.419 59.580 58.100 0.102 0.000 1.161 284 Y CB -0.829 37.679 38.460 0.079 0.000 0.997 284 Y HN 0.322 nan 8.280 nan 0.000 0.522 285 N N 0.810 119.631 118.700 0.201 0.000 2.120 285 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 285 N C 1.847 177.429 175.510 0.120 0.000 1.024 285 N CA 1.460 54.593 53.050 0.138 0.000 0.852 285 N CB -0.361 38.183 38.487 0.094 0.000 1.003 285 N HN 0.273 nan 8.380 nan 0.000 0.424 286 A N -0.051 122.842 122.820 0.122 0.000 1.883 286 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 286 A C 2.660 180.397 177.584 0.254 0.000 1.186 286 A CA 1.618 53.740 52.037 0.142 0.000 0.624 286 A CB -1.222 17.921 19.000 0.238 0.000 0.822 286 A HN 0.585 nan 8.150 nan 0.000 0.444 287 C N -1.233 118.261 119.300 0.322 0.000 2.453 287 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 287 C C 2.719 177.918 174.990 0.348 0.000 1.262 287 C CA 1.179 60.439 59.018 0.404 0.000 1.718 287 C CB -1.040 26.874 27.740 0.290 0.000 2.031 287 C HN 0.798 nan 8.230 nan 0.000 0.480 288 E N 0.583 120.937 120.200 0.256 0.000 2.046 288 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 288 E C 2.005 178.701 176.600 0.159 0.000 0.982 288 E CA 0.949 57.471 56.400 0.203 0.000 0.800 288 E CB 0.116 29.915 29.700 0.165 0.000 0.756 288 E HN 0.430 nan 8.360 nan 0.000 0.449 289 K N 0.299 120.774 120.400 0.125 0.000 2.168 289 K HA 0.058 4.378 4.320 -0.000 0.000 0.201 289 K C 2.249 178.884 176.600 0.058 0.000 1.049 289 K CA 0.459 56.791 56.287 0.075 0.000 0.974 289 K CB -0.023 32.501 32.500 0.039 0.000 0.792 289 K HN 0.246 nan 8.250 nan 0.000 0.463 290 I N -0.817 119.768 120.570 0.026 0.000 2.188 290 I HA -0.159 4.011 4.170 -0.000 0.000 0.237 290 I C 2.319 178.462 176.117 0.045 0.000 1.073 290 I CA 1.280 62.537 61.300 -0.073 0.000 1.359 290 I CB -1.136 36.699 38.000 -0.275 0.000 1.083 290 I HN 0.149 nan 8.210 nan 0.000 0.412 291 W N 1.380 122.818 121.300 0.230 0.000 2.407 291 W HA -0.020 4.640 4.660 0.000 0.000 0.305 291 W C 2.712 179.410 176.519 0.298 0.000 1.196 291 W CA 0.792 58.281 57.345 0.240 0.000 1.311 291 W CB -0.784 28.795 29.460 0.198 0.000 1.135 291 W HN 0.160 nan 8.180 nan 0.000 0.514 292 G N -0.077 109.022 108.800 0.499 0.000 2.443 292 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 292 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 292 G C 1.160 176.103 174.900 0.071 0.000 1.131 292 G CA 1.233 46.484 45.100 0.251 0.000 0.775 292 G HN 0.310 nan 8.290 nan 0.000 0.547 293 E N -0.439 119.832 120.200 0.119 0.000 3.312 293 E HA 0.030 4.380 4.350 -0.000 0.000 0.178 293 E C 1.707 178.369 176.600 0.103 0.000 1.204 293 E CA -0.056 56.386 56.400 0.071 0.000 1.335 293 E CB 0.095 29.823 29.700 0.046 0.000 1.680 293 E HN 0.009 nan 8.360 nan 0.000 0.503 294 D N 1.383 121.836 120.400 0.088 0.000 2.133 294 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 294 D C 1.677 178.092 176.300 0.192 0.000 0.997 294 D CA 1.256 55.313 54.000 0.095 0.000 0.840 294 D CB 0.123 40.937 40.800 0.024 0.000 0.947 294 D HN 0.140 nan 8.370 nan 0.000 0.452 295 L N -0.083 121.244 121.223 0.175 0.000 2.808 295 L HA 0.281 4.621 4.340 -0.000 0.000 0.246 295 L C 2.031 178.988 176.870 0.145 0.000 1.153 295 L CA -0.259 54.662 54.840 0.135 0.000 0.956 295 L CB 0.249 42.382 42.059 0.123 0.000 1.270 295 L HN -0.128 nan 8.230 nan 0.000 0.528 296 R N 1.064 121.711 120.500 0.244 0.000 2.133 296 R HA -0.226 4.114 4.340 -0.000 0.000 0.247 296 R C 2.394 178.780 176.300 0.144 0.000 1.151 296 R CA 2.103 58.334 56.100 0.219 0.000 0.971 296 R CB -0.217 30.128 30.300 0.075 0.000 0.866 296 R HN 0.574 nan 8.270 nan 0.000 0.447 297 H N -0.496 118.616 119.070 0.070 0.000 2.521 297 H HA -0.062 4.494 4.556 -0.000 0.000 0.286 297 H C 1.599 176.942 175.328 0.025 0.000 1.034 297 H CA 0.929 56.995 56.048 0.030 0.000 1.278 297 H CB -0.228 29.546 29.762 0.020 0.000 1.386 297 H HN 0.324 nan 8.280 nan 0.000 0.567 298 L N 0.249 121.219 121.223 -0.423 0.000 2.567 298 L HA 0.051 4.391 4.340 -0.000 0.000 0.225 298 L C 1.676 178.475 176.870 -0.118 0.000 1.119 298 L CA -0.111 54.572 54.840 -0.262 0.000 0.871 298 L CB 0.143 42.040 42.059 -0.269 0.000 1.036 298 L HN 0.140 nan 8.230 nan 0.000 0.459 299 I N -0.487 120.043 120.570 -0.066 0.000 2.729 299 I HA -0.050 4.120 4.170 -0.000 0.000 0.256 299 I C 2.468 178.338 176.117 -0.412 0.000 1.115 299 I CA 1.011 62.249 61.300 -0.103 0.000 1.446 299 I CB -0.912 37.144 38.000 0.094 0.000 1.176 299 I HN 0.072 nan 8.210 nan 0.000 0.446 300 V N -0.003 119.694 119.914 -0.363 0.000 3.241 300 V HA -0.049 4.071 4.120 -0.000 0.000 0.269 300 V C 1.962 177.673 176.094 -0.639 0.000 1.151 300 V CA 1.520 63.343 62.300 -0.796 0.000 1.158 300 V CB -1.469 30.255 31.823 -0.166 0.000 0.764 300 V HN 0.477 nan 8.190 nan 0.000 0.508 301 S N -1.050 114.431 115.700 -0.365 0.000 2.556 301 S HA 0.295 4.765 4.470 -0.000 0.000 0.216 301 S C 0.916 175.413 174.600 -0.172 0.000 0.970 301 S CA -0.519 57.563 58.200 -0.197 0.000 0.912 301 S CB -0.131 63.012 63.200 -0.095 0.000 0.790 301 S HN 0.671 nan 8.310 nan 0.000 0.504 302 R N 1.845 122.193 120.500 -0.254 0.000 2.546 302 R HA 0.534 4.874 4.340 -0.000 0.000 0.266 302 R C 0.329 176.638 176.300 0.016 0.000 1.086 302 R CA -0.010 56.030 56.100 -0.099 0.000 1.160 302 R CB 0.800 31.054 30.300 -0.076 0.000 1.138 302 R HN 0.469 nan 8.270 nan 0.000 0.567 303 S N -1.049 114.677 115.700 0.044 0.000 2.747 303 S HA 0.165 4.635 4.470 -0.000 0.000 0.300 303 S C 0.929 175.570 174.600 0.067 0.000 1.121 303 S CA -0.787 57.454 58.200 0.069 0.000 0.995 303 S CB 1.723 64.940 63.200 0.028 0.000 1.113 303 S HN 0.506 nan 8.310 nan 0.000 0.547 304 T N 1.564 116.143 114.554 0.043 0.000 2.833 304 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 304 T C 1.683 176.367 174.700 -0.027 0.000 1.054 304 T CA 2.142 64.242 62.100 0.000 0.000 1.135 304 T CB -0.472 68.390 68.868 -0.010 0.000 0.869 304 T HN 0.853 nan 8.240 nan 0.000 0.466 305 Q N 0.818 120.604 119.800 -0.024 0.000 2.425 305 Q HA 0.430 4.770 4.340 -0.000 0.000 0.204 305 Q C 0.884 176.856 176.000 -0.047 0.000 0.933 305 Q CA 0.459 56.235 55.803 -0.045 0.000 0.939 305 Q CB 0.092 28.807 28.738 -0.039 0.000 1.044 305 Q HN 0.336 nan 8.270 nan 0.000 0.513 306 A N 1.487 124.289 122.820 -0.031 0.000 3.308 306 A HA 0.428 4.748 4.320 -0.000 0.000 0.275 306 A C -2.637 174.923 177.584 -0.039 0.000 0.950 306 A CA -1.295 50.721 52.037 -0.034 0.000 0.987 306 A CB 0.409 19.401 19.000 -0.014 0.000 1.146 306 A HN 0.184 nan 8.150 nan 0.000 0.488 307 P HA 0.309 nan 4.420 nan 0.000 0.274 307 P C -0.320 176.895 177.300 -0.141 0.000 1.246 307 P CA -0.265 62.791 63.100 -0.072 0.000 0.795 307 P CB 1.136 32.775 31.700 -0.101 0.000 1.006 308 L N 1.817 122.921 121.223 -0.198 0.000 2.292 308 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 308 L C -0.482 176.163 176.870 -0.376 0.000 1.065 308 L CA -0.237 54.402 54.840 -0.335 0.000 0.806 308 L CB -0.136 41.624 42.059 -0.498 0.000 1.175 308 L HN 0.187 nan 8.230 nan 0.000 0.431 309 I N 6.809 127.159 120.570 -0.366 0.000 2.371 309 I HA 0.320 4.490 4.170 -0.000 0.000 0.282 309 I C -0.216 175.673 176.117 -0.381 0.000 1.031 309 I CA -0.399 60.699 61.300 -0.337 0.000 1.180 309 I CB 0.925 38.773 38.000 -0.253 0.000 1.336 309 I HN 0.551 nan 8.210 nan 0.000 0.467 310 I N 6.026 126.337 120.570 -0.432 0.000 2.529 310 I HA 0.215 4.385 4.170 -0.000 0.000 0.284 310 I C 0.582 176.548 176.117 -0.252 0.000 1.082 310 I CA 0.028 61.090 61.300 -0.397 0.000 1.406 310 I CB 0.579 38.331 38.000 -0.412 0.000 1.405 310 I HN 0.559 nan 8.210 nan 0.000 0.548 311 R N 8.635 129.025 120.500 -0.183 0.000 2.422 311 R HA 0.443 4.783 4.340 -0.000 0.000 0.307 311 R C -2.761 173.493 176.300 -0.077 0.000 1.004 311 R CA -1.594 54.431 56.100 -0.126 0.000 0.882 311 R CB 1.720 31.954 30.300 -0.111 0.000 1.164 311 R HN 0.284 nan 8.270 nan 0.000 0.489 312 P HA 0.213 nan 4.420 nan 0.000 0.281 312 P C -0.923 176.381 177.300 0.005 0.000 1.249 312 P CA -0.189 62.887 63.100 -0.039 0.000 0.810 312 P CB 1.513 33.179 31.700 -0.057 0.000 1.008 313 D N -0.435 119.989 120.400 0.041 0.000 2.712 313 D HA 0.178 4.818 4.640 -0.000 0.000 0.300 313 D C -0.763 175.582 176.300 0.075 0.000 1.521 313 D CA -0.121 53.932 54.000 0.089 0.000 0.790 313 D CB 0.142 41.042 40.800 0.166 0.000 1.155 313 D HN 0.370 nan 8.370 nan 0.000 0.456 314 S N -1.978 113.748 115.700 0.043 0.000 2.615 314 S HA 0.756 5.226 4.470 -0.000 0.000 0.268 314 S C 0.320 174.941 174.600 0.034 0.000 1.146 314 S CA -0.373 57.847 58.200 0.033 0.000 0.818 314 S CB 1.253 64.464 63.200 0.019 0.000 1.111 314 S HN 0.747 nan 8.310 nan 0.000 0.465 315 G N 1.429 110.256 108.800 0.044 0.000 2.698 315 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.225 315 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.225 315 G C -0.557 174.384 174.900 0.067 0.000 1.345 315 G CA -0.183 44.956 45.100 0.065 0.000 0.871 315 G HN 1.437 nan 8.290 nan 0.000 0.540 316 N N 1.249 119.996 118.700 0.079 0.000 2.452 316 N HA 0.440 5.180 4.740 -0.000 0.000 0.266 316 N C -0.562 174.991 175.510 0.072 0.000 1.209 316 N CA -0.652 52.439 53.050 0.069 0.000 0.929 316 N CB 1.179 39.707 38.487 0.069 0.000 1.063 316 N HN 0.182 nan 8.380 nan 0.000 0.472 317 P HA -0.236 nan 4.420 nan 0.000 0.214 317 P C 1.487 178.832 177.300 0.074 0.000 1.163 317 P CA 0.976 64.118 63.100 0.069 0.000 0.889 317 P CB 0.164 31.902 31.700 0.064 0.000 0.790 318 L N -0.430 120.832 121.223 0.065 0.000 1.976 318 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 318 L C 2.145 179.058 176.870 0.071 0.000 1.071 318 L CA 2.290 57.168 54.840 0.064 0.000 0.746 318 L CB -0.942 41.146 42.059 0.050 0.000 0.890 318 L HN -0.047 nan 8.230 nan 0.000 0.432 319 D N -1.207 119.238 120.400 0.074 0.000 2.144 319 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 319 D C 1.916 178.288 176.300 0.119 0.000 0.984 319 D CA 1.699 55.750 54.000 0.084 0.000 0.834 319 D CB 0.259 41.105 40.800 0.078 0.000 0.955 319 D HN 0.282 nan 8.370 nan 0.000 0.465 320 T N -0.846 113.789 114.554 0.136 0.000 2.777 320 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 320 T C 2.055 176.827 174.700 0.120 0.000 1.040 320 T CA 0.936 63.146 62.100 0.184 0.000 1.141 320 T CB -0.339 68.598 68.868 0.115 0.000 0.868 320 T HN -0.016 nan 8.240 nan 0.000 0.444 321 V N 1.327 121.273 119.914 0.054 0.000 2.261 321 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 321 V C 2.467 178.536 176.094 -0.041 0.000 1.047 321 V CA 1.385 63.674 62.300 -0.018 0.000 1.015 321 V CB -0.618 31.193 31.823 -0.021 0.000 0.642 321 V HN 0.305 nan 8.190 nan 0.000 0.446 322 L N -0.225 121.006 121.223 0.014 0.000 2.042 322 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 322 L C 2.470 179.371 176.870 0.052 0.000 1.076 322 L CA 1.804 56.662 54.840 0.030 0.000 0.749 322 L CB -0.983 41.133 42.059 0.096 0.000 0.893 322 L HN 0.241 nan 8.230 nan 0.000 0.432 323 K N -0.727 119.728 120.400 0.093 0.000 2.057 323 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 323 K C 2.166 178.863 176.600 0.160 0.000 1.049 323 K CA 1.115 57.469 56.287 0.112 0.000 0.931 323 K CB -0.710 31.855 32.500 0.108 0.000 0.714 323 K HN 0.192 nan 8.250 nan 0.000 0.440 324 V N 2.047 122.055 119.914 0.156 0.000 2.295 324 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 324 V C 2.490 178.556 176.094 -0.047 0.000 1.049 324 V CA 1.468 63.818 62.300 0.083 0.000 1.024 324 V CB -0.433 31.388 31.823 -0.005 0.000 0.648 324 V HN 0.201 nan 8.190 nan 0.000 0.447 325 L N -0.260 120.834 121.223 -0.216 0.000 2.046 325 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 325 L C 2.601 179.361 176.870 -0.184 0.000 1.077 325 L CA 2.024 56.557 54.840 -0.512 0.000 0.747 325 L CB -0.594 40.768 42.059 -1.161 0.000 0.896 325 L HN 0.446 nan 8.230 nan 0.000 0.432 326 E N 0.829 121.070 120.200 0.068 0.000 2.038 326 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 326 E C 2.309 179.034 176.600 0.208 0.000 1.000 326 E CA 1.466 58.024 56.400 0.263 0.000 0.803 326 E CB -0.059 29.767 29.700 0.208 0.000 0.750 326 E HN 0.462 nan 8.360 nan 0.000 0.448 327 I N 0.957 121.623 120.570 0.160 0.000 2.226 327 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 327 I C 2.431 178.678 176.117 0.217 0.000 1.100 327 I CA 0.861 62.268 61.300 0.179 0.000 1.374 327 I CB -0.211 37.909 38.000 0.200 0.000 1.057 327 I HN 0.208 nan 8.210 nan 0.000 0.413 328 L N 0.325 121.661 121.223 0.188 0.000 2.083 328 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 328 L C 2.669 179.749 176.870 0.349 0.000 1.083 328 L CA 1.453 56.449 54.840 0.261 0.000 0.752 328 L CB -1.146 40.927 42.059 0.023 0.000 0.899 328 L HN 0.325 nan 8.230 nan 0.000 0.433 329 G N 0.084 109.067 108.800 0.305 0.000 2.432 329 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 329 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 329 G C 1.616 176.680 174.900 0.274 0.000 1.135 329 G CA 0.351 45.682 45.100 0.385 0.000 0.767 329 G HN 0.333 nan 8.290 nan 0.000 0.550 330 K N -0.154 120.383 120.400 0.227 0.000 2.459 330 K HA 0.103 4.423 4.320 -0.000 0.000 0.193 330 K C 1.590 178.255 176.600 0.109 0.000 1.030 330 K CA 0.391 56.768 56.287 0.150 0.000 1.026 330 K CB 0.222 32.798 32.500 0.127 0.000 0.809 330 K HN 0.087 nan 8.250 nan 0.000 0.504 331 K N -0.465 120.018 120.400 0.138 0.000 2.425 331 K HA 0.201 4.521 4.320 -0.000 0.000 0.201 331 K C -0.073 176.338 176.600 -0.314 0.000 1.128 331 K CA 0.334 56.580 56.287 -0.068 0.000 1.000 331 K CB 0.700 33.158 32.500 -0.071 0.000 0.961 331 K HN -0.066 nan 8.250 nan 0.000 0.555 332 F N 1.333 121.354 119.950 0.120 0.000 2.598 332 F HA 0.379 4.906 4.527 -0.000 0.000 0.327 332 F C -2.215 173.648 175.800 0.105 0.000 1.057 332 F CA -2.800 55.277 58.000 0.127 0.000 0.957 332 F CB 0.876 39.955 39.000 0.131 0.000 1.278 332 F HN -0.292 nan 8.300 nan 0.000 0.484 333 P HA 0.158 nan 4.420 nan 0.000 0.268 333 P C -0.847 176.533 177.300 0.134 0.000 1.282 333 P CA 0.054 63.255 63.100 0.168 0.000 0.880 333 P CB 0.272 32.065 31.700 0.156 0.000 0.971 334 V N 4.149 124.139 119.914 0.127 0.000 2.509 334 V HA 0.387 4.507 4.120 -0.000 0.000 0.284 334 V C 1.012 177.140 176.094 0.057 0.000 1.047 334 V CA -0.045 62.322 62.300 0.112 0.000 0.952 334 V CB 1.240 33.145 31.823 0.136 0.000 0.988 334 V HN 0.584 nan 8.190 nan 0.000 0.469 335 T N 1.288 115.868 114.554 0.044 0.000 2.905 335 T HA 0.677 5.027 4.350 -0.000 0.000 0.283 335 T C -0.652 174.058 174.700 0.016 0.000 1.031 335 T CA -0.786 61.327 62.100 0.022 0.000 1.002 335 T CB 2.214 71.092 68.868 0.017 0.000 1.200 335 T HN 0.696 nan 8.240 nan 0.000 0.560 336 E N 0.894 121.099 120.200 0.008 0.000 2.210 336 E HA 0.407 4.757 4.350 -0.000 0.000 0.266 336 E C -0.574 176.042 176.600 0.026 0.000 0.883 336 E CA -0.907 55.497 56.400 0.007 0.000 0.761 336 E CB 1.186 30.873 29.700 -0.022 0.000 1.156 336 E HN 0.756 nan 8.360 nan 0.000 0.412 340 G N 0.729 109.591 108.800 0.103 0.000 2.137 340 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.237 340 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.237 340 G C -0.463 174.345 174.900 -0.152 0.000 1.002 340 G CA 0.272 45.350 45.100 -0.037 0.000 0.702 340 G HN 0.135 nan 8.290 nan 0.000 0.515 341 Y N 0.503 120.790 120.300 -0.022 0.000 2.387 341 Y HA 0.549 5.099 4.550 -0.000 0.000 0.330 341 Y C 1.179 177.055 175.900 -0.040 0.000 1.133 341 Y CA -0.857 57.225 58.100 -0.029 0.000 1.152 341 Y CB 0.975 39.450 38.460 0.024 0.000 1.215 341 Y HN 0.025 nan 8.280 nan 0.000 0.466 342 K N 2.409 122.811 120.400 0.003 0.000 2.382 342 K HA 0.304 4.624 4.320 -0.000 0.000 0.275 342 K C -1.274 175.441 176.600 0.192 0.000 1.009 342 K CA -0.261 55.988 56.287 -0.063 0.000 0.970 342 K CB 0.567 32.735 32.500 -0.553 0.000 0.934 342 K HN 0.369 nan 8.250 nan 0.000 0.479 343 L N 4.103 125.430 121.223 0.175 0.000 2.482 343 L HA 0.307 4.647 4.340 -0.000 0.000 0.269 343 L C -0.883 176.073 176.870 0.142 0.000 0.967 343 L CA -0.400 54.547 54.840 0.178 0.000 0.851 343 L CB 1.321 43.434 42.059 0.091 0.000 1.242 343 L HN 0.546 nan 8.230 nan 0.000 0.404 344 L N 5.070 126.370 121.223 0.128 0.000 2.474 344 L HA 0.316 4.656 4.340 -0.000 0.000 0.259 344 L C -1.791 174.998 176.870 -0.136 0.000 1.232 344 L CA -1.613 53.232 54.840 0.009 0.000 0.821 344 L CB -0.042 41.954 42.059 -0.106 0.000 1.108 344 L HN 0.479 nan 8.230 nan 0.000 0.495 345 P HA -0.009 nan 4.420 nan 0.000 0.267 345 P C -1.976 174.972 177.300 -0.587 0.000 1.200 345 P CA -0.868 61.900 63.100 -0.554 0.000 0.772 345 P CB 0.043 31.080 31.700 -1.106 0.000 0.855 346 P HA -0.150 nan 4.420 nan 0.000 0.231 346 P C 0.430 177.597 177.300 -0.221 0.000 1.158 346 P CA 1.400 64.348 63.100 -0.253 0.000 0.763 346 P CB -0.335 31.288 31.700 -0.128 0.000 0.805 347 Y N -1.719 118.525 120.300 -0.093 0.000 2.468 347 Y HA 0.564 5.114 4.550 -0.000 0.000 0.268 347 Y C 0.342 176.116 175.900 -0.210 0.000 1.177 347 Y CA -1.620 56.406 58.100 -0.123 0.000 1.265 347 Y CB -0.646 37.765 38.460 -0.081 0.000 1.103 347 Y HN -0.225 nan 8.280 nan 0.000 0.522 348 L N 1.878 122.954 121.223 -0.245 0.000 2.406 348 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 348 L C -1.247 175.429 176.870 -0.324 0.000 0.980 348 L CA -1.009 53.644 54.840 -0.313 0.000 0.831 348 L CB 1.349 43.116 42.059 -0.487 0.000 1.253 348 L HN 0.019 nan 8.230 nan 0.000 0.406 349 R N 2.959 123.271 120.500 -0.313 0.000 2.855 349 R HA 0.821 5.161 4.340 -0.000 0.000 0.266 349 R C -1.571 174.543 176.300 -0.310 0.000 1.034 349 R CA -0.854 55.076 56.100 -0.283 0.000 0.944 349 R CB 2.346 32.509 30.300 -0.228 0.000 1.219 349 R HN 0.402 nan 8.270 nan 0.000 0.474 350 V N 1.692 121.428 119.914 -0.297 0.000 2.735 350 V HA 0.581 4.701 4.120 -0.000 0.000 0.310 350 V C -0.332 175.576 176.094 -0.309 0.000 1.061 350 V CA -0.873 61.246 62.300 -0.303 0.000 0.913 350 V CB 2.439 34.074 31.823 -0.313 0.000 1.005 350 V HN 0.637 nan 8.190 nan 0.000 0.428 351 I N 3.187 123.592 120.570 -0.275 0.000 2.478 351 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 351 I C -0.847 175.138 176.117 -0.220 0.000 1.042 351 I CA -0.636 60.497 61.300 -0.278 0.000 1.067 351 I CB 1.896 39.780 38.000 -0.193 0.000 1.233 351 I HN 0.755 nan 8.210 nan 0.000 0.431 352 Q N 5.760 125.387 119.800 -0.288 0.000 2.421 352 Q HA 0.453 4.793 4.340 -0.000 0.000 0.242 352 Q C 0.126 176.121 176.000 -0.008 0.000 1.024 352 Q CA -0.132 55.600 55.803 -0.118 0.000 0.891 352 Q CB 1.401 30.087 28.738 -0.085 0.000 1.222 352 Q HN 0.758 nan 8.270 nan 0.000 0.483 353 G N 3.073 111.916 108.800 0.071 0.000 3.502 353 G HA2 0.112 4.072 3.960 -0.000 0.000 0.267 353 G HA3 0.112 4.072 3.960 -0.000 0.000 0.267 353 G C -0.570 174.449 174.900 0.198 0.000 1.090 353 G CA -0.173 45.034 45.100 0.178 0.000 0.795 353 G HN 0.612 nan 8.290 nan 0.000 0.535 354 D N -1.323 119.153 120.400 0.127 0.000 2.498 354 D HA 0.460 5.100 4.640 -0.000 0.000 0.247 354 D C 1.087 177.437 176.300 0.084 0.000 1.070 354 D CA 0.217 54.282 54.000 0.108 0.000 0.842 354 D CB 1.233 42.087 40.800 0.089 0.000 1.361 354 D HN 0.187 nan 8.370 nan 0.000 0.484 355 G N 1.965 110.808 108.800 0.071 0.000 2.203 355 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.263 355 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.263 355 G C 0.085 175.006 174.900 0.035 0.000 1.012 355 G CA 0.423 45.553 45.100 0.051 0.000 0.749 355 G HN 0.553 nan 8.290 nan 0.000 0.512 356 V N 1.620 121.554 119.914 0.032 0.000 2.406 356 V HA 0.601 4.721 4.120 -0.000 0.000 0.272 356 V C 0.244 176.314 176.094 -0.040 0.000 1.043 356 V CA 0.217 62.509 62.300 -0.013 0.000 0.915 356 V CB 1.373 33.193 31.823 -0.004 0.000 0.988 356 V HN 0.633 nan 8.190 nan 0.000 0.466 357 D N 3.003 123.367 120.400 -0.059 0.000 2.744 357 D HA 0.263 4.903 4.640 -0.000 0.000 0.304 357 D C 0.907 177.165 176.300 -0.070 0.000 1.179 357 D CA -0.866 53.109 54.000 -0.042 0.000 1.024 357 D CB 1.169 41.969 40.800 0.001 0.000 1.453 357 D HN 0.290 nan 8.370 nan 0.000 0.529 358 I N -0.033 120.520 120.570 -0.028 0.000 2.315 358 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 358 I C 1.021 177.096 176.117 -0.071 0.000 1.125 358 I CA 1.449 62.725 61.300 -0.040 0.000 1.392 358 I CB -0.100 37.918 38.000 0.030 0.000 1.065 358 I HN 0.259 nan 8.210 nan 0.000 0.424 359 N N 0.243 118.915 118.700 -0.047 0.000 2.148 359 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 359 N C 1.891 177.355 175.510 -0.076 0.000 1.031 359 N CA 2.174 55.194 53.050 -0.051 0.000 0.848 359 N CB -0.804 37.671 38.487 -0.020 0.000 1.005 359 N HN 0.492 nan 8.380 nan 0.000 0.427 360 T N 0.622 115.133 114.554 -0.072 0.000 2.915 360 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 360 T C 1.922 176.529 174.700 -0.155 0.000 1.071 360 T CA 0.396 62.449 62.100 -0.078 0.000 1.132 360 T CB -0.325 68.518 68.868 -0.042 0.000 0.878 360 T HN 0.020 nan 8.240 nan 0.000 0.479 361 L N 1.029 122.104 121.223 -0.247 0.000 2.017 361 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 361 L C 2.627 179.255 176.870 -0.403 0.000 1.073 361 L CA 2.358 56.913 54.840 -0.475 0.000 0.745 361 L CB -1.287 40.480 42.059 -0.486 0.000 0.894 361 L HN 0.365 nan 8.230 nan 0.000 0.432 362 Q N 0.563 120.201 119.800 -0.270 0.000 2.050 362 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 362 Q C 2.003 177.863 176.000 -0.233 0.000 0.980 362 Q CA 2.282 57.936 55.803 -0.248 0.000 0.840 362 Q CB -0.223 28.436 28.738 -0.132 0.000 0.898 362 Q HN 0.591 nan 8.270 nan 0.000 0.424 363 E N -0.290 119.823 120.200 -0.146 0.000 2.085 363 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 363 E C 2.030 178.583 176.600 -0.078 0.000 0.994 363 E CA 1.470 57.819 56.400 -0.085 0.000 0.801 363 E CB -0.210 29.463 29.700 -0.044 0.000 0.743 363 E HN 0.474 nan 8.360 nan 0.000 0.453 364 I N 0.795 121.309 120.570 -0.093 0.000 2.286 364 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 364 I C 2.582 178.689 176.117 -0.017 0.000 1.104 364 I CA 0.766 62.064 61.300 -0.002 0.000 1.397 364 I CB -0.342 37.731 38.000 0.122 0.000 1.072 364 I HN 0.067 nan 8.210 nan 0.000 0.417 365 V N -0.992 118.810 119.914 -0.186 0.000 2.427 365 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 365 V C 2.373 178.282 176.094 -0.309 0.000 1.051 365 V CA 1.893 64.027 62.300 -0.277 0.000 1.048 365 V CB -0.804 30.650 31.823 -0.615 0.000 0.666 365 V HN 0.344 nan 8.190 nan 0.000 0.456 366 E N 2.228 122.211 120.200 -0.361 0.000 2.106 366 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 366 E C 2.163 178.817 176.600 0.091 0.000 0.984 366 E CA 1.801 58.189 56.400 -0.020 0.000 0.806 366 E CB -1.026 28.680 29.700 0.009 0.000 0.750 366 E HN 0.556 nan 8.360 nan 0.000 0.458 367 G N 0.426 109.256 108.800 0.051 0.000 2.418 367 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 367 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 367 G C 1.635 176.635 174.900 0.166 0.000 1.158 367 G CA 1.148 46.308 45.100 0.099 0.000 0.771 367 G HN 0.274 nan 8.290 nan 0.000 0.545 368 M N 0.077 119.784 119.600 0.178 0.000 2.175 368 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 368 M C 2.483 178.991 176.300 0.347 0.000 1.063 368 M CA 1.411 56.885 55.300 0.289 0.000 1.119 368 M CB -0.263 32.477 32.600 0.233 0.000 1.377 368 M HN 0.197 nan 8.290 nan 0.000 0.415 369 K N 0.814 121.394 120.400 0.300 0.000 2.057 369 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 369 K C 1.913 178.707 176.600 0.323 0.000 1.049 369 K CA 1.589 58.094 56.287 0.363 0.000 0.931 369 K CB -0.031 32.694 32.500 0.376 0.000 0.714 369 K HN 0.386 nan 8.250 nan 0.000 0.440 370 Q N -0.075 119.863 119.800 0.231 0.000 2.170 370 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 370 Q C 1.235 177.306 176.000 0.119 0.000 0.976 370 Q CA 1.034 56.931 55.803 0.156 0.000 0.858 370 Q CB 0.205 29.019 28.738 0.126 0.000 0.907 370 Q HN 0.087 nan 8.270 nan 0.000 0.433 371 K N -0.104 120.396 120.400 0.167 0.000 2.476 371 K HA 0.094 4.414 4.320 -0.000 0.000 0.196 371 K C 0.114 176.663 176.600 -0.085 0.000 1.025 371 K CA 0.043 56.391 56.287 0.102 0.000 1.138 371 K CB 0.504 33.190 32.500 0.309 0.000 0.860 371 K HN 0.222 nan 8.250 nan 0.000 0.515 372 M N -1.292 118.327 119.600 0.030 0.000 2.576 372 M HA -0.213 4.267 4.480 -0.000 0.000 0.200 372 M C -1.048 175.285 176.300 0.054 0.000 0.487 372 M CA 0.833 56.108 55.300 -0.042 0.000 0.553 372 M CB -2.591 29.812 32.600 -0.328 0.000 2.042 372 M HN 0.182 nan 8.290 nan 0.000 0.758 373 W N 0.376 121.840 121.300 0.272 0.000 2.390 373 W HA 0.527 5.187 4.660 0.000 0.000 0.312 373 W C 0.975 177.621 176.519 0.211 0.000 1.123 373 W CA -0.404 57.060 57.345 0.198 0.000 1.202 373 W CB 1.095 30.620 29.460 0.109 0.000 1.251 373 W HN 0.237 nan 8.180 nan 0.000 0.511 374 S N 3.194 119.152 115.700 0.431 0.000 2.564 374 S HA 0.105 4.575 4.470 -0.000 0.000 0.278 374 S C 1.103 175.791 174.600 0.147 0.000 1.333 374 S CA -0.576 57.738 58.200 0.189 0.000 1.048 374 S CB 0.461 63.759 63.200 0.163 0.000 0.900 374 S HN 0.410 nan 8.310 nan 0.000 0.505 375 I N 3.843 124.458 120.570 0.075 0.000 3.083 375 I HA -0.066 4.104 4.170 -0.000 0.000 0.273 375 I C 2.034 178.179 176.117 0.046 0.000 1.297 375 I CA 0.867 62.218 61.300 0.085 0.000 1.452 375 I CB -1.668 36.404 38.000 0.120 0.000 1.078 375 I HN 0.805 nan 8.210 nan 0.000 0.484 376 E N 0.574 120.796 120.200 0.037 0.000 2.418 376 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 376 E C 1.218 177.801 176.600 -0.027 0.000 1.026 376 E CA 0.773 57.180 56.400 0.011 0.000 0.862 376 E CB -0.516 29.193 29.700 0.015 0.000 0.799 376 E HN 0.522 nan 8.360 nan 0.000 0.518 377 N N 0.511 119.195 118.700 -0.027 0.000 2.457 377 N HA 0.138 4.878 4.740 -0.000 0.000 0.180 377 N C 0.255 175.655 175.510 -0.183 0.000 1.050 377 N CA 0.426 53.418 53.050 -0.097 0.000 0.906 377 N CB 0.456 38.891 38.487 -0.086 0.000 0.968 377 N HN 0.180 nan 8.380 nan 0.000 0.445 378 I N -0.795 119.663 120.570 -0.186 0.000 3.042 378 I HA 0.673 4.843 4.170 -0.000 0.000 0.310 378 I C -1.565 174.345 176.117 -0.344 0.000 1.117 378 I CA -1.082 60.022 61.300 -0.327 0.000 1.003 378 I CB 1.859 39.587 38.000 -0.453 0.000 1.228 378 I HN -0.126 nan 8.210 nan 0.000 0.443 379 A N 3.835 126.348 122.820 -0.511 0.000 2.556 379 A HA 0.818 5.138 4.320 -0.000 0.000 0.294 379 A C -1.922 175.257 177.584 -0.674 0.000 1.091 379 A CA -0.364 51.439 52.037 -0.390 0.000 0.704 379 A CB 1.179 20.070 19.000 -0.182 0.000 1.300 379 A HN 0.487 nan 8.150 nan 0.000 0.406 380 F N 0.075 119.934 119.950 -0.151 0.000 2.532 380 F HA 0.654 5.181 4.527 -0.000 0.000 0.321 380 F C 0.842 176.425 175.800 -0.360 0.000 1.089 380 F CA -0.405 57.468 58.000 -0.211 0.000 0.926 380 F CB 2.692 41.582 39.000 -0.183 0.000 1.168 380 F HN 0.737 nan 8.300 nan 0.000 0.459 381 G N 0.556 109.166 108.800 -0.316 0.000 2.416 381 G HA2 0.510 4.470 3.960 -0.000 0.000 0.324 381 G HA3 0.510 4.470 3.960 -0.000 0.000 0.324 381 G C -1.438 173.182 174.900 -0.467 0.000 1.194 381 G CA -0.602 43.922 45.100 -0.960 0.000 0.922 381 G HN 0.601 nan 8.290 nan 0.000 0.467 382 S N 0.758 116.214 115.700 -0.405 0.000 2.547 382 S HA 0.778 5.248 4.470 -0.000 0.000 0.281 382 S C 0.650 175.216 174.600 -0.057 0.000 1.118 382 S CA 0.158 58.269 58.200 -0.149 0.000 0.947 382 S CB 1.622 64.723 63.200 -0.164 0.000 1.053 382 S HN 0.956 nan 8.310 nan 0.000 0.482 383 G N 2.870 111.705 108.800 0.059 0.000 2.446 383 G HA2 0.359 4.319 3.960 -0.000 0.000 0.202 383 G HA3 0.359 4.319 3.960 -0.000 0.000 0.202 383 G C 1.275 176.214 174.900 0.066 0.000 1.842 383 G CA 0.489 45.650 45.100 0.102 0.000 0.703 383 G HN 0.976 nan 8.290 nan 0.000 0.731 384 G N 0.818 109.666 108.800 0.080 0.000 2.469 384 G HA2 0.029 3.989 3.960 -0.000 0.000 0.219 384 G HA3 0.029 3.989 3.960 -0.000 0.000 0.219 384 G C 1.751 176.689 174.900 0.063 0.000 1.150 384 G CA 1.741 46.885 45.100 0.074 0.000 0.763 384 G HN 0.789 nan 8.290 nan 0.000 0.561 385 G N 0.322 109.148 108.800 0.044 0.000 2.432 385 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 385 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 385 G C 1.700 176.612 174.900 0.020 0.000 1.135 385 G CA 1.029 46.148 45.100 0.032 0.000 0.767 385 G HN 0.423 nan 8.290 nan 0.000 0.550 386 L N -0.482 120.733 121.223 -0.014 0.000 2.202 386 L HA 0.378 4.718 4.340 -0.000 0.000 0.205 386 L C 2.285 179.145 176.870 -0.017 0.000 1.083 386 L CA 1.224 56.031 54.840 -0.056 0.000 0.790 386 L CB 0.026 41.972 42.059 -0.187 0.000 0.942 386 L HN 0.167 nan 8.230 nan 0.000 0.452 387 L N -1.922 119.320 121.223 0.033 0.000 2.642 387 L HA 0.195 4.535 4.340 -0.000 0.000 0.233 387 L C 1.920 178.934 176.870 0.241 0.000 1.077 387 L CA 0.151 55.060 54.840 0.116 0.000 0.879 387 L CB 0.106 42.230 42.059 0.108 0.000 1.151 387 L HN 0.258 nan 8.230 nan 0.000 0.495 388 Q N 0.946 120.846 119.800 0.168 0.000 2.462 388 Q HA 0.034 4.374 4.340 -0.000 0.000 0.224 388 Q C 1.256 177.357 176.000 0.168 0.000 0.911 388 Q CA 0.802 56.704 55.803 0.165 0.000 0.925 388 Q CB 0.424 29.226 28.738 0.107 0.000 1.063 388 Q HN 0.051 nan 8.270 nan 0.000 0.572 389 K N 1.147 121.625 120.400 0.131 0.000 2.989 389 K HA 0.185 4.505 4.320 -0.000 0.000 0.264 389 K C -1.085 175.600 176.600 0.142 0.000 1.228 389 K CA 0.052 56.409 56.287 0.116 0.000 1.186 389 K CB -0.771 31.779 32.500 0.084 0.000 1.409 389 K HN 0.165 nan 8.250 nan 0.000 0.271 390 L N -0.033 121.319 121.223 0.215 0.000 2.409 390 L HA 0.445 4.785 4.340 -0.000 0.000 0.262 390 L C -0.303 176.766 176.870 0.331 0.000 0.992 390 L CA -0.927 54.075 54.840 0.270 0.000 0.817 390 L CB 2.512 44.782 42.059 0.351 0.000 1.350 390 L HN 0.036 nan 8.230 nan 0.000 0.411 391 T N -0.322 114.329 114.554 0.161 0.000 2.906 391 T HA 0.288 4.638 4.350 -0.000 0.000 0.295 391 T C 0.571 174.950 174.700 -0.534 0.000 1.075 391 T CA -0.533 61.467 62.100 -0.167 0.000 1.005 391 T CB 2.614 71.410 68.868 -0.121 0.000 1.136 391 T HN 0.626 nan 8.240 nan 0.000 0.498 392 R N 0.637 120.454 120.500 -1.140 0.000 2.189 392 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 392 R C 0.748 176.794 176.300 -0.422 0.000 1.092 392 R CA 1.481 56.917 56.100 -1.106 0.000 0.989 392 R CB 0.036 29.550 30.300 -1.310 0.000 0.876 392 R HN 0.519 nan 8.270 nan 0.000 0.457 393 D N 0.694 120.911 120.400 -0.305 0.000 2.317 393 D HA -0.139 4.501 4.640 -0.000 0.000 0.211 393 D C 1.810 178.048 176.300 -0.103 0.000 0.966 393 D CA 0.212 54.114 54.000 -0.163 0.000 0.876 393 D CB 0.041 40.769 40.800 -0.121 0.000 0.927 393 D HN 0.210 nan 8.370 nan 0.000 0.519 394 L N 0.406 121.565 121.223 -0.108 0.000 2.013 394 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 394 L C 1.574 178.388 176.870 -0.094 0.000 1.073 394 L CA 1.601 56.385 54.840 -0.093 0.000 0.753 394 L CB -0.246 41.731 42.059 -0.136 0.000 0.890 394 L HN 0.077 nan 8.230 nan 0.000 0.432 395 L N -0.867 120.313 121.223 -0.073 0.000 2.808 395 L HA 0.175 4.515 4.340 -0.000 0.000 0.246 395 L C 0.075 176.930 176.870 -0.024 0.000 1.153 395 L CA -0.237 54.587 54.840 -0.027 0.000 0.956 395 L CB 0.005 42.070 42.059 0.011 0.000 1.270 395 L HN 0.252 nan 8.230 nan 0.000 0.528 396 N N 0.417 119.081 118.700 -0.060 0.000 2.714 396 N HA -0.169 4.571 4.740 -0.000 0.000 0.253 396 N C -0.196 175.230 175.510 -0.139 0.000 1.024 396 N CA 0.561 53.556 53.050 -0.091 0.000 0.726 396 N CB -1.756 36.692 38.487 -0.065 0.000 0.908 396 N HN 0.298 nan 8.380 nan 0.000 0.542 397 C N 0.772 119.996 119.300 -0.127 0.000 2.624 397 C HA 0.421 4.881 4.460 -0.000 0.000 0.397 397 C C 1.300 176.075 174.990 -0.357 0.000 1.331 397 C CA -0.250 58.617 59.018 -0.253 0.000 1.716 397 C CB -0.222 27.639 27.740 0.201 0.000 2.452 397 C HN 0.493 nan 8.230 nan 0.000 0.586 398 S N 2.442 117.760 115.700 -0.637 0.000 2.546 398 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 398 S C -1.280 173.067 174.600 -0.421 0.000 1.121 398 S CA -0.436 57.546 58.200 -0.364 0.000 0.887 398 S CB 0.981 64.044 63.200 -0.228 0.000 1.094 398 S HN 0.584 nan 8.310 nan 0.000 0.474 399 F N 4.242 124.029 119.950 -0.271 0.000 2.426 399 F HA 0.683 5.210 4.527 -0.000 0.000 0.348 399 F C -0.288 175.371 175.800 -0.234 0.000 1.124 399 F CA -0.390 57.480 58.000 -0.217 0.000 1.008 399 F CB 0.789 39.830 39.000 0.068 0.000 1.139 399 F HN 0.378 nan 8.300 nan 0.000 0.452 400 K N 5.311 125.369 120.400 -0.569 0.000 2.469 400 K HA 0.304 4.624 4.320 -0.000 0.000 0.254 400 K C -1.412 175.060 176.600 -0.213 0.000 0.939 400 K CA -0.701 55.420 56.287 -0.277 0.000 0.812 400 K CB 1.848 34.222 32.500 -0.211 0.000 1.301 400 K HN 0.706 nan 8.250 nan 0.000 0.433 401 C N 2.155 121.485 119.300 0.050 0.000 2.499 401 C HA 0.308 4.768 4.460 -0.000 0.000 0.386 401 C C 1.533 176.680 174.990 0.262 0.000 1.293 401 C CA 0.175 59.285 59.018 0.152 0.000 1.884 401 C CB -1.037 26.826 27.740 0.204 0.000 2.509 401 C HN 0.885 nan 8.230 nan 0.000 0.566 402 S N 3.395 119.318 115.700 0.372 0.000 2.604 402 S HA 0.232 4.702 4.470 -0.000 0.000 0.235 402 S C -0.351 174.497 174.600 0.413 0.000 1.043 402 S CA -0.160 58.281 58.200 0.401 0.000 0.997 402 S CB 0.030 63.468 63.200 0.395 0.000 0.956 402 S HN 0.945 nan 8.310 nan 0.000 0.535 403 Y N 0.309 120.766 120.300 0.260 0.000 2.479 403 Y HA 0.702 5.252 4.550 0.000 0.000 0.338 403 Y C -1.595 174.382 175.900 0.128 0.000 1.055 403 Y CA -0.983 57.194 58.100 0.127 0.000 1.023 403 Y CB 1.911 40.332 38.460 -0.063 0.000 1.287 403 Y HN 0.027 nan 8.280 nan 0.000 0.447 404 V N 5.566 125.162 119.914 -0.531 0.000 3.049 404 V HA 0.657 4.777 4.120 -0.000 0.000 0.309 404 V C -1.528 174.207 176.094 -0.598 0.000 1.148 404 V CA -0.843 61.212 62.300 -0.409 0.000 0.990 404 V CB 2.540 34.285 31.823 -0.131 0.000 1.039 404 V HN 0.585 nan 8.190 nan 0.000 0.430 405 V N 3.078 122.776 119.914 -0.360 0.000 2.376 405 V HA 0.595 4.715 4.120 -0.000 0.000 0.287 405 V C -0.210 175.789 176.094 -0.157 0.000 1.015 405 V CA -0.255 61.889 62.300 -0.259 0.000 0.834 405 V CB 1.833 33.555 31.823 -0.168 0.000 1.001 405 V HN 0.958 nan 8.190 nan 0.000 0.428 406 T N 4.094 118.570 114.554 -0.130 0.000 2.861 406 T HA 0.404 4.754 4.350 -0.000 0.000 0.287 406 T C 0.438 175.092 174.700 -0.077 0.000 1.003 406 T CA -0.520 61.519 62.100 -0.102 0.000 0.977 406 T CB 1.089 69.908 68.868 -0.083 0.000 0.996 406 T HN 0.687 nan 8.240 nan 0.000 0.448 407 N N 1.579 120.237 118.700 -0.071 0.000 2.708 407 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 407 N C 1.099 176.584 175.510 -0.041 0.000 1.097 407 N CA 1.474 54.493 53.050 -0.051 0.000 0.710 407 N CB -1.173 37.289 38.487 -0.041 0.000 1.032 407 N HN 1.341 nan 8.380 nan 0.000 0.551 408 G N -1.214 107.559 108.800 -0.045 0.000 2.162 408 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 408 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 408 G C -0.140 174.744 174.900 -0.026 0.000 0.976 408 G CA 0.471 45.553 45.100 -0.030 0.000 0.655 408 G HN 0.447 nan 8.290 nan 0.000 0.533 409 L N 1.394 122.592 121.223 -0.042 0.000 2.313 409 L HA 0.681 5.021 4.340 -0.000 0.000 0.283 409 L C 0.873 177.698 176.870 -0.074 0.000 1.013 409 L CA 0.113 54.932 54.840 -0.034 0.000 0.816 409 L CB 1.158 43.201 42.059 -0.026 0.000 1.236 409 L HN 0.190 nan 8.230 nan 0.000 0.419 410 G N 6.178 114.953 108.800 -0.042 0.000 2.378 410 G HA2 0.435 4.395 3.960 -0.000 0.000 0.255 410 G HA3 0.435 4.395 3.960 -0.000 0.000 0.255 410 G C -0.390 174.462 174.900 -0.079 0.000 1.270 410 G CA -0.390 44.632 45.100 -0.129 0.000 0.876 410 G HN 0.460 nan 8.290 nan 0.000 0.521 411 I N 2.010 122.439 120.570 -0.235 0.000 2.498 411 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 411 I C -0.869 175.284 176.117 0.060 0.000 1.032 411 I CA -1.312 59.958 61.300 -0.050 0.000 1.073 411 I CB 1.880 39.843 38.000 -0.062 0.000 1.251 411 I HN 0.326 nan 8.210 nan 0.000 0.426 412 N N 5.804 124.612 118.700 0.180 0.000 2.408 412 N HA 0.414 5.154 4.740 -0.000 0.000 0.257 412 N C -0.174 175.499 175.510 0.271 0.000 1.064 412 N CA -0.170 53.033 53.050 0.256 0.000 0.952 412 N CB 2.118 40.726 38.487 0.201 0.000 1.093 412 N HN 0.506 nan 8.380 nan 0.000 0.490 413 V N -0.187 119.901 119.914 0.290 0.000 3.046 413 V HA 0.986 5.106 4.120 -0.000 0.000 0.316 413 V C -0.592 175.748 176.094 0.410 0.000 1.104 413 V CA -0.849 61.603 62.300 0.253 0.000 1.006 413 V CB 1.635 33.523 31.823 0.108 0.000 1.058 413 V HN 0.603 nan 8.190 nan 0.000 0.440 414 F N -0.829 119.172 119.950 0.086 0.000 2.944 414 F HA 0.710 5.237 4.527 0.000 0.000 0.324 414 F C -1.230 174.609 175.800 0.065 0.000 1.151 414 F CA -1.183 56.870 58.000 0.090 0.000 0.883 414 F CB 1.113 40.162 39.000 0.082 0.000 1.341 414 F HN 0.840 nan 8.300 nan 0.000 0.456 415 K N 0.241 120.737 120.400 0.159 0.000 2.267 415 K HA 0.737 5.057 4.320 -0.000 0.000 0.246 415 K C -1.859 174.889 176.600 0.246 0.000 0.954 415 K CA -0.731 55.587 56.287 0.052 0.000 0.824 415 K CB 2.339 34.873 32.500 0.056 0.000 1.167 415 K HN 0.710 nan 8.250 nan 0.000 0.431 416 D N 2.123 122.617 120.400 0.157 0.000 2.934 416 D HA 0.268 4.908 4.640 -0.000 0.000 0.249 416 D C -2.597 173.764 176.300 0.100 0.000 1.293 416 D CA -1.213 52.905 54.000 0.196 0.000 0.812 416 D CB 0.750 41.753 40.800 0.339 0.000 1.439 416 D HN 0.380 nan 8.370 nan 0.000 0.555 417 P HA 0.004 nan 4.420 nan 0.000 0.263 417 P C 1.209 178.533 177.300 0.040 0.000 1.195 417 P CA -0.347 62.778 63.100 0.041 0.000 0.762 417 P CB 1.420 33.140 31.700 0.033 0.000 0.799 418 V N 3.947 123.881 119.914 0.032 0.000 2.324 418 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 418 V C 1.914 178.022 176.094 0.024 0.000 1.060 418 V CA 2.735 65.053 62.300 0.030 0.000 1.042 418 V CB -1.028 30.808 31.823 0.022 0.000 0.650 418 V HN 0.680 nan 8.190 nan 0.000 0.450 419 A N -1.215 121.617 122.820 0.019 0.000 2.168 419 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 419 A C 1.098 178.692 177.584 0.016 0.000 1.152 419 A CA 1.276 53.322 52.037 0.015 0.000 0.716 419 A CB -0.205 18.802 19.000 0.011 0.000 0.794 419 A HN 0.640 nan 8.150 nan 0.000 0.465 420 D N -1.893 118.519 120.400 0.021 0.000 2.381 420 D HA 0.311 4.951 4.640 -0.000 0.000 0.245 420 D C -2.495 173.822 176.300 0.027 0.000 1.297 420 D CA -1.514 52.497 54.000 0.020 0.000 0.931 420 D CB 1.247 42.056 40.800 0.015 0.000 1.334 420 D HN -0.099 nan 8.370 nan 0.000 0.535 421 P HA -0.036 nan 4.420 nan 0.000 0.221 421 P C 1.012 178.328 177.300 0.028 0.000 1.145 421 P CA 0.577 63.695 63.100 0.030 0.000 0.795 421 P CB 0.357 32.071 31.700 0.023 0.000 0.775 422 N N -0.615 118.098 118.700 0.022 0.000 2.512 422 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 422 N C 1.067 176.588 175.510 0.020 0.000 1.073 422 N CA 0.834 53.895 53.050 0.017 0.000 0.911 422 N CB -0.063 38.430 38.487 0.011 0.000 0.964 422 N HN 0.301 nan 8.380 nan 0.000 0.447 423 K N 0.520 120.937 120.400 0.028 0.000 2.372 423 K HA 0.105 4.425 4.320 -0.000 0.000 0.200 423 K C 0.516 177.154 176.600 0.064 0.000 1.022 423 K CA -0.274 56.032 56.287 0.033 0.000 1.125 423 K CB 0.710 33.226 32.500 0.027 0.000 0.855 423 K HN 0.050 nan 8.250 nan 0.000 0.524 424 R N 2.178 122.722 120.500 0.074 0.000 2.489 424 R HA 0.011 4.351 4.340 -0.000 0.000 0.287 424 R C -0.242 176.130 176.300 0.120 0.000 1.053 424 R CA 0.157 56.326 56.100 0.115 0.000 1.036 424 R CB 0.537 30.886 30.300 0.081 0.000 0.966 424 R HN 0.013 nan 8.270 nan 0.000 0.432 425 S N 3.156 118.972 115.700 0.193 0.000 2.690 425 S HA 0.379 4.849 4.470 -0.000 0.000 0.291 425 S C -0.546 174.163 174.600 0.182 0.000 1.138 425 S CA -1.042 57.296 58.200 0.229 0.000 1.013 425 S CB 1.659 65.023 63.200 0.274 0.000 1.053 425 S HN 0.580 nan 8.310 nan 0.000 0.539 426 K N 1.042 121.546 120.400 0.172 0.000 2.258 426 K HA 0.262 4.582 4.320 -0.000 0.000 0.264 426 K C -0.033 176.565 176.600 -0.003 0.000 1.007 426 K CA -0.377 55.864 56.287 -0.077 0.000 0.941 426 K CB 0.442 32.708 32.500 -0.391 0.000 0.966 426 K HN 0.729 nan 8.250 nan 0.000 0.480 427 K N -0.051 120.304 120.400 -0.075 0.000 2.259 427 K HA 0.643 4.963 4.320 -0.000 0.000 0.249 427 K C 0.020 176.632 176.600 0.020 0.000 0.942 427 K CA -0.765 55.548 56.287 0.044 0.000 0.816 427 K CB 1.747 34.234 32.500 -0.022 0.000 1.155 427 K HN 0.679 nan 8.250 nan 0.000 0.428 428 G N 1.468 110.341 108.800 0.121 0.000 2.782 428 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.228 428 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.228 428 G C -1.031 173.786 174.900 -0.138 0.000 1.372 428 G CA -0.714 44.410 45.100 0.040 0.000 0.862 428 G HN 0.731 nan 8.290 nan 0.000 0.547 429 R N -0.578 119.632 120.500 -0.483 0.000 2.489 429 R HA 0.473 4.813 4.340 -0.000 0.000 0.287 429 R C 0.564 176.713 176.300 -0.252 0.000 1.053 429 R CA 0.037 55.742 56.100 -0.659 0.000 1.036 429 R CB 0.190 29.962 30.300 -0.879 0.000 0.966 429 R HN 0.448 nan 8.270 nan 0.000 0.432 430 L N 1.036 122.227 121.223 -0.053 0.000 2.313 430 L HA 0.634 4.974 4.340 -0.000 0.000 0.268 430 L C -0.022 176.843 176.870 -0.008 0.000 1.010 430 L CA -0.850 53.964 54.840 -0.043 0.000 0.814 430 L CB 2.019 44.019 42.059 -0.099 0.000 1.304 430 L HN 0.737 nan 8.230 nan 0.000 0.441 431 S N 0.741 116.425 115.700 -0.027 0.000 2.570 431 S HA 0.705 5.175 4.470 -0.000 0.000 0.270 431 S C -1.412 173.108 174.600 -0.132 0.000 1.149 431 S CA -0.791 57.370 58.200 -0.066 0.000 0.837 431 S CB 2.151 65.379 63.200 0.046 0.000 1.124 431 S HN 0.455 nan 8.310 nan 0.000 0.465 432 L N 1.866 122.891 121.223 -0.331 0.000 2.341 432 L HA 0.815 5.155 4.340 -0.000 0.000 0.278 432 L C -1.417 175.159 176.870 -0.491 0.000 1.005 432 L CA 0.136 54.838 54.840 -0.230 0.000 0.818 432 L CB 1.133 43.146 42.059 -0.077 0.000 1.259 432 L HN 0.992 nan 8.230 nan 0.000 0.418 433 H N 2.039 121.088 119.070 -0.035 0.000 2.946 433 H HA 0.694 5.250 4.556 -0.000 0.000 0.365 433 H C -1.053 174.201 175.328 -0.124 0.000 1.197 433 H CA -0.950 55.059 56.048 -0.066 0.000 1.131 433 H CB 1.256 30.932 29.762 -0.144 0.000 1.849 433 H HN 0.399 nan 8.280 nan 0.000 0.555 434 R N 0.802 121.301 120.500 -0.002 0.000 2.312 434 R HA 0.373 4.713 4.340 -0.000 0.000 0.311 434 R C -0.348 175.967 176.300 0.025 0.000 1.004 434 R CA -0.447 55.528 56.100 -0.208 0.000 0.902 434 R CB 0.597 30.755 30.300 -0.235 0.000 1.073 434 R HN 0.883 nan 8.270 nan 0.000 0.457 435 T N 1.270 115.826 114.554 0.004 0.000 2.847 435 T HA 0.338 4.688 4.350 -0.000 0.000 0.279 435 T C -1.650 173.082 174.700 0.054 0.000 0.984 435 T CA -1.627 60.568 62.100 0.157 0.000 0.988 435 T CB 1.200 70.148 68.868 0.134 0.000 1.040 435 T HN 0.343 nan 8.240 nan 0.000 0.528 436 P HA -0.062 nan 4.420 nan 0.000 0.215 436 P C 1.542 178.836 177.300 -0.010 0.000 1.157 436 P CA 1.602 64.699 63.100 -0.004 0.000 0.874 436 P CB -0.349 31.337 31.700 -0.024 0.000 0.790 437 A N -1.213 121.607 122.820 -0.001 0.000 2.248 437 A HA 0.259 4.579 4.320 -0.000 0.000 0.210 437 A C 1.634 179.207 177.584 -0.018 0.000 1.174 437 A CA 1.164 53.198 52.037 -0.005 0.000 0.750 437 A CB -1.496 17.509 19.000 0.008 0.000 0.780 437 A HN 0.301 nan 8.150 nan 0.000 0.478 438 G N -1.159 107.616 108.800 -0.042 0.000 2.132 438 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.228 438 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.228 438 G C -0.009 174.817 174.900 -0.124 0.000 1.000 438 G CA 0.161 45.205 45.100 -0.093 0.000 0.693 438 G HN 0.511 nan 8.290 nan 0.000 0.515 439 N N -0.697 117.955 118.700 -0.080 0.000 2.495 439 N HA 0.764 5.504 4.740 -0.000 0.000 0.294 439 N C -0.439 174.990 175.510 -0.136 0.000 1.276 439 N CA -0.094 52.956 53.050 0.001 0.000 0.973 439 N CB 0.391 38.917 38.487 0.067 0.000 1.143 439 N HN 0.041 nan 8.380 nan 0.000 0.589 440 F N -0.221 119.744 119.950 0.024 0.000 2.495 440 F HA 0.499 5.026 4.527 -0.000 0.000 0.327 440 F C 0.156 175.944 175.800 -0.020 0.000 1.103 440 F CA -0.811 57.197 58.000 0.014 0.000 0.949 440 F CB 1.708 40.721 39.000 0.022 0.000 1.142 440 F HN -0.081 nan 8.300 nan 0.000 0.457 441 V N 2.270 122.239 119.914 0.091 0.000 2.709 441 V HA 0.580 4.700 4.120 -0.000 0.000 0.308 441 V C -0.880 175.196 176.094 -0.030 0.000 1.062 441 V CA -0.190 62.091 62.300 -0.031 0.000 0.901 441 V CB 2.251 33.941 31.823 -0.220 0.000 1.003 441 V HN 0.767 nan 8.190 nan 0.000 0.425 442 T N 8.135 122.667 114.554 -0.038 0.000 2.743 442 T HA 0.516 4.866 4.350 -0.000 0.000 0.292 442 T C -0.220 174.431 174.700 -0.081 0.000 0.972 442 T CA -0.137 61.934 62.100 -0.048 0.000 0.967 442 T CB 0.448 69.271 68.868 -0.075 0.000 0.926 442 T HN 0.517 nan 8.240 nan 0.000 0.459 443 L N 3.784 124.976 121.223 -0.053 0.000 2.350 443 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 443 L C 0.816 177.633 176.870 -0.087 0.000 1.099 443 L CA -0.470 54.322 54.840 -0.080 0.000 0.808 443 L CB 0.861 42.876 42.059 -0.072 0.000 1.149 443 L HN 0.585 nan 8.230 nan 0.000 0.442 444 E N 1.234 121.373 120.200 -0.101 0.000 2.281 444 E HA 0.252 4.602 4.350 -0.000 0.000 0.257 444 E C -0.431 176.107 176.600 -0.103 0.000 0.971 444 E CA -0.804 55.526 56.400 -0.117 0.000 0.839 444 E CB 1.046 30.669 29.700 -0.128 0.000 1.238 444 E HN 0.491 nan 8.360 nan 0.000 0.412 445 E N -0.287 119.850 120.200 -0.106 0.000 2.403 445 E HA -0.300 4.050 4.350 -0.000 0.000 0.241 445 E C 0.497 177.023 176.600 -0.123 0.000 1.201 445 E CA 0.286 56.631 56.400 -0.093 0.000 0.721 445 E CB -1.817 27.850 29.700 -0.056 0.000 1.245 445 E HN 0.978 nan 8.360 nan 0.000 0.392 446 G N 0.059 108.756 108.800 -0.172 0.000 2.166 446 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.260 446 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.260 446 G C 0.803 175.646 174.900 -0.096 0.000 0.986 446 G CA 0.945 45.942 45.100 -0.171 0.000 0.683 446 G HN 0.418 nan 8.290 nan 0.000 0.527 447 K N 0.076 120.432 120.400 -0.073 0.000 2.281 447 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 447 K C 2.689 179.268 176.600 -0.035 0.000 1.046 447 K CA 0.905 57.164 56.287 -0.047 0.000 0.938 447 K CB -0.311 32.165 32.500 -0.040 0.000 0.737 447 K HN 0.428 nan 8.250 nan 0.000 0.458 448 G N 1.902 110.689 108.800 -0.023 0.000 2.462 448 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 448 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 448 G C 0.948 175.862 174.900 0.024 0.000 1.121 448 G CA 0.775 45.894 45.100 0.031 0.000 0.758 448 G HN 0.215 nan 8.290 nan 0.000 0.559 449 D N 0.607 121.001 120.400 -0.009 0.000 2.158 449 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 449 D C 1.332 177.629 176.300 -0.005 0.000 0.995 449 D CA 0.511 54.504 54.000 -0.011 0.000 0.846 449 D CB -0.230 40.549 40.800 -0.035 0.000 0.941 449 D HN 0.272 nan 8.370 nan 0.000 0.456 450 L N 2.138 123.353 121.223 -0.013 0.000 2.407 450 L HA 0.067 4.407 4.340 -0.000 0.000 0.282 450 L C 0.936 177.799 176.870 -0.012 0.000 1.110 450 L CA -0.229 54.602 54.840 -0.015 0.000 0.863 450 L CB 0.436 42.484 42.059 -0.019 0.000 1.207 450 L HN -0.256 nan 8.230 nan 0.000 0.454 451 E N 3.560 123.758 120.200 -0.004 0.000 3.265 451 E HA -0.097 4.253 4.350 -0.000 0.000 0.262 451 E C 0.897 177.480 176.600 -0.028 0.000 1.480 451 E CA 0.190 56.593 56.400 0.004 0.000 1.548 451 E CB -0.115 29.594 29.700 0.016 0.000 1.330 451 E HN 0.650 nan 8.360 nan 0.000 0.431 452 E N -0.447 119.724 120.200 -0.047 0.000 2.077 452 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 452 E C 0.186 176.629 176.600 -0.262 0.000 0.989 452 E CA 1.156 57.471 56.400 -0.143 0.000 0.800 452 E CB 0.028 29.662 29.700 -0.110 0.000 0.746 452 E HN 0.276 nan 8.360 nan 0.000 0.452 453 Y N -0.099 120.073 120.300 -0.215 0.000 2.679 453 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 453 Y C 1.294 177.174 175.900 -0.033 0.000 1.183 453 Y CA -0.641 57.364 58.100 -0.160 0.000 1.290 453 Y CB -0.179 38.121 38.460 -0.268 0.000 1.489 453 Y HN -0.107 nan 8.280 nan 0.000 0.583 454 G N -0.402 108.552 108.800 0.256 0.000 2.527 454 G HA2 0.143 4.103 3.960 -0.000 0.000 0.279 454 G HA3 0.143 4.103 3.960 -0.000 0.000 0.279 454 G C -0.647 174.430 174.900 0.295 0.000 1.374 454 G CA -0.443 44.783 45.100 0.210 0.000 1.053 454 G HN 0.510 nan 8.290 nan 0.000 0.539 455 Q N -0.645 119.269 119.800 0.190 0.000 2.392 455 Q HA 0.181 4.521 4.340 -0.000 0.000 0.262 455 Q C 0.065 176.099 176.000 0.057 0.000 1.003 455 Q CA -0.172 55.715 55.803 0.141 0.000 0.888 455 Q CB 0.788 29.594 28.738 0.115 0.000 1.260 455 Q HN 0.513 nan 8.270 nan 0.000 0.435 456 D N 2.103 122.457 120.400 -0.077 0.000 2.455 456 D HA -0.068 4.572 4.640 -0.000 0.000 0.241 456 D C 0.308 176.416 176.300 -0.321 0.000 1.138 456 D CA 0.497 54.269 54.000 -0.380 0.000 0.877 456 D CB 0.670 41.313 40.800 -0.261 0.000 1.187 456 D HN 0.668 nan 8.370 nan 0.000 0.451 457 L N 2.792 123.843 121.223 -0.287 0.000 2.554 457 L HA 0.087 4.427 4.340 -0.000 0.000 0.226 457 L C 0.673 177.404 176.870 -0.232 0.000 1.137 457 L CA 0.036 54.801 54.840 -0.125 0.000 0.863 457 L CB -0.223 41.878 42.059 0.070 0.000 0.985 457 L HN 0.282 nan 8.230 nan 0.000 0.451 458 L N -0.405 120.629 121.223 -0.315 0.000 2.349 458 L HA 0.238 4.578 4.340 -0.000 0.000 0.275 458 L C -0.632 175.988 176.870 -0.416 0.000 1.115 458 L CA -0.198 54.500 54.840 -0.236 0.000 0.820 458 L CB 0.712 42.689 42.059 -0.135 0.000 1.135 458 L HN 0.079 nan 8.230 nan 0.000 0.445 459 H N -0.307 118.767 119.070 0.007 0.000 2.768 459 H HA 0.261 4.817 4.556 -0.000 0.000 0.371 459 H C -0.499 174.867 175.328 0.063 0.000 1.151 459 H CA -0.632 55.439 56.048 0.037 0.000 1.165 459 H CB 1.763 31.555 29.762 0.049 0.000 1.722 459 H HN 0.450 nan 8.280 nan 0.000 0.543 460 T N 2.317 116.972 114.554 0.168 0.000 2.829 460 T HA 0.084 4.434 4.350 -0.000 0.000 0.293 460 T C 1.356 176.137 174.700 0.135 0.000 0.970 460 T CA 0.215 62.393 62.100 0.130 0.000 1.168 460 T CB 0.088 69.010 68.868 0.090 0.000 0.911 460 T HN 0.545 nan 8.240 nan 0.000 0.535 461 V N 1.235 121.242 119.914 0.155 0.000 3.570 461 V HA 0.537 4.657 4.120 -0.000 0.000 0.257 461 V C 0.024 176.231 176.094 0.188 0.000 1.272 461 V CA -0.100 62.294 62.300 0.157 0.000 1.079 461 V CB -0.286 31.653 31.823 0.194 0.000 0.829 461 V HN 0.642 nan 8.190 nan 0.000 0.454 462 F N 1.261 121.223 119.950 0.020 0.000 2.574 462 F HA 0.772 5.299 4.527 -0.000 0.000 0.313 462 F C -0.753 175.050 175.800 0.006 0.000 1.130 462 F CA -0.829 57.173 58.000 0.003 0.000 0.936 462 F CB 1.832 40.826 39.000 -0.010 0.000 1.219 462 F HN -0.035 nan 8.300 nan 0.000 0.445 463 K N 4.789 124.806 120.400 -0.638 0.000 2.561 463 K HA 0.299 4.619 4.320 -0.000 0.000 0.254 463 K C -0.902 175.383 176.600 -0.525 0.000 0.942 463 K CA -0.649 55.401 56.287 -0.395 0.000 0.818 463 K CB 1.271 33.673 32.500 -0.162 0.000 1.306 463 K HN 0.852 nan 8.250 nan 0.000 0.435 464 N N 2.784 121.272 118.700 -0.353 0.000 2.699 464 N HA -0.270 4.470 4.740 -0.000 0.000 0.256 464 N C 0.407 175.763 175.510 -0.256 0.000 0.993 464 N CA 0.734 53.615 53.050 -0.282 0.000 0.759 464 N CB -0.763 37.582 38.487 -0.236 0.000 0.906 464 N HN 1.052 nan 8.380 nan 0.000 0.541 465 G N -1.310 107.268 108.800 -0.370 0.000 2.179 465 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 465 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 465 G C -0.141 174.573 174.900 -0.310 0.000 0.977 465 G CA 0.642 45.638 45.100 -0.173 0.000 0.641 465 G HN 0.354 nan 8.290 nan 0.000 0.533 466 K N 0.129 120.146 120.400 -0.638 0.000 2.316 466 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 466 K C -0.195 176.149 176.600 -0.426 0.000 0.934 466 K CA -0.880 55.180 56.287 -0.378 0.000 0.802 466 K CB 2.563 34.939 32.500 -0.208 0.000 1.171 466 K HN 0.095 nan 8.250 nan 0.000 0.426 467 V N 3.185 123.034 119.914 -0.109 0.000 2.372 467 V HA 0.024 4.144 4.120 -0.000 0.000 0.261 467 V C 1.532 177.603 176.094 -0.039 0.000 1.055 467 V CA 0.087 62.400 62.300 0.023 0.000 0.930 467 V CB 0.320 32.186 31.823 0.071 0.000 1.031 467 V HN 0.946 nan 8.190 nan 0.000 0.479 468 T N 1.439 115.967 114.554 -0.043 0.000 3.054 468 T HA 0.107 4.457 4.350 -0.000 0.000 0.259 468 T C 0.591 175.262 174.700 -0.047 0.000 1.092 468 T CA 0.136 62.206 62.100 -0.049 0.000 1.121 468 T CB 0.221 69.062 68.868 -0.045 0.000 0.912 468 T HN 0.409 nan 8.240 nan 0.000 0.489 469 K N 0.756 121.131 120.400 -0.042 0.000 2.553 469 K HA 0.629 4.949 4.320 -0.000 0.000 0.250 469 K C -1.606 174.890 176.600 -0.173 0.000 0.953 469 K CA -0.421 55.789 56.287 -0.128 0.000 0.800 469 K CB 2.290 34.726 32.500 -0.106 0.000 1.243 469 K HN 0.052 nan 8.250 nan 0.000 0.435 470 S N 2.272 117.792 115.700 -0.301 0.000 2.634 470 S HA 0.678 5.148 4.470 -0.000 0.000 0.296 470 S C -1.549 172.776 174.600 -0.458 0.000 1.104 470 S CA -0.619 57.445 58.200 -0.228 0.000 0.920 470 S CB 0.684 63.840 63.200 -0.073 0.000 1.111 470 S HN 0.448 nan 8.310 nan 0.000 0.493 471 Y N 0.749 121.146 120.300 0.162 0.000 2.477 471 Y HA 0.501 5.051 4.550 -0.000 0.000 0.347 471 Y C 0.608 176.678 175.900 0.284 0.000 0.981 471 Y CA -0.910 57.306 58.100 0.192 0.000 1.033 471 Y CB 1.590 40.171 38.460 0.201 0.000 1.245 471 Y HN 0.724 nan 8.280 nan 0.000 0.455 472 S N 1.147 117.058 115.700 0.352 0.000 2.624 472 S HA 0.180 4.650 4.470 -0.000 0.000 0.263 472 S C 0.547 175.367 174.600 0.367 0.000 1.287 472 S CA -0.420 57.979 58.200 0.332 0.000 0.990 472 S CB 0.525 63.851 63.200 0.210 0.000 0.950 472 S HN 0.650 nan 8.310 nan 0.000 0.561 473 F N 1.017 121.072 119.950 0.176 0.000 2.325 473 F HA 0.019 4.546 4.527 0.000 0.000 0.299 473 F C 1.720 177.517 175.800 -0.006 0.000 1.090 473 F CA 1.203 59.219 58.000 0.027 0.000 1.392 473 F CB -0.407 38.590 39.000 -0.004 0.000 1.053 473 F HN 0.620 nan 8.300 nan 0.000 0.521 474 D N 0.195 120.654 120.400 0.098 0.000 2.117 474 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 474 D C 2.064 178.341 176.300 -0.037 0.000 0.982 474 D CA 1.408 55.413 54.000 0.008 0.000 0.828 474 D CB -0.335 40.503 40.800 0.063 0.000 0.967 474 D HN 0.442 nan 8.370 nan 0.000 0.464 475 E N 0.527 120.750 120.200 0.038 0.000 2.051 475 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 475 E C 2.420 179.007 176.600 -0.020 0.000 0.991 475 E CA 0.459 56.897 56.400 0.063 0.000 0.799 475 E CB -0.039 29.779 29.700 0.197 0.000 0.748 475 E HN 0.293 nan 8.360 nan 0.000 0.449 476 I N 0.906 121.417 120.570 -0.098 0.000 2.163 476 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 476 I C 2.592 178.505 176.117 -0.340 0.000 1.085 476 I CA 1.304 62.464 61.300 -0.233 0.000 1.347 476 I CB -0.294 37.466 38.000 -0.401 0.000 1.044 476 I HN 0.057 nan 8.210 nan 0.000 0.408 477 R N 0.670 120.888 120.500 -0.470 0.000 2.083 477 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 477 R C 2.388 178.540 176.300 -0.247 0.000 1.137 477 R CA 1.601 57.447 56.100 -0.424 0.000 0.951 477 R CB -0.350 29.705 30.300 -0.409 0.000 0.851 477 R HN 0.325 nan 8.270 nan 0.000 0.434 478 K N 0.980 121.281 120.400 -0.165 0.000 2.063 478 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 478 K C 1.500 178.040 176.600 -0.100 0.000 1.048 478 K CA 1.890 58.114 56.287 -0.105 0.000 0.928 478 K CB -0.120 32.350 32.500 -0.049 0.000 0.713 478 K HN 0.254 nan 8.250 nan 0.000 0.442 479 N N -0.174 118.480 118.700 -0.077 0.000 2.223 479 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 479 N C 1.398 176.839 175.510 -0.115 0.000 1.016 479 N CA 0.826 53.837 53.050 -0.064 0.000 0.863 479 N CB -0.050 38.497 38.487 0.099 0.000 0.983 479 N HN 0.251 nan 8.380 nan 0.000 0.429 480 A N 0.582 123.319 122.820 -0.139 0.000 2.251 480 A HA 0.043 4.363 4.320 -0.000 0.000 0.209 480 A C 0.705 178.191 177.584 -0.163 0.000 1.187 480 A CA -0.098 51.849 52.037 -0.151 0.000 0.823 480 A CB 0.052 18.933 19.000 -0.200 0.000 0.846 480 A HN 0.274 nan 8.150 nan 0.000 0.486 481 Q N -0.009 119.695 119.800 -0.160 0.000 2.369 481 Q HA 0.157 4.497 4.340 -0.000 0.000 0.295 481 Q C -0.496 175.428 176.000 -0.128 0.000 1.075 481 Q CA 0.353 56.065 55.803 -0.152 0.000 0.941 481 Q CB 0.389 29.051 28.738 -0.127 0.000 1.260 481 Q HN 0.524 nan 8.270 nan 0.000 0.417 482 L N 2.347 123.494 121.223 -0.127 0.000 2.418 482 L HA 0.056 4.396 4.340 -0.000 0.000 0.265 482 L C 1.453 178.277 176.870 -0.077 0.000 1.143 482 L CA -0.682 54.099 54.840 -0.098 0.000 0.809 482 L CB 0.419 42.418 42.059 -0.100 0.000 1.124 482 L HN 0.722 nan 8.230 nan 0.000 0.456 483 N N 1.488 120.153 118.700 -0.059 0.000 2.069 483 N HA -0.075 4.665 4.740 -0.000 0.000 0.191 483 N C 0.874 176.356 175.510 -0.047 0.000 1.031 483 N CA 0.991 54.013 53.050 -0.048 0.000 0.852 483 N CB -0.161 38.305 38.487 -0.035 0.000 1.018 483 N HN 0.422 nan 8.380 nan 0.000 0.423 484 I N 0.000 120.542 120.570 -0.046 0.000 2.984 484 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 484 I CA 0.000 61.275 61.300 -0.043 0.000 1.566 484 I CB 0.000 37.975 38.000 -0.041 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494